National Library of Energy BETA

Sample records for reactive geochemical transport

  1. Developing a robust geochemical and reactive transport model to evaluate

    Office of Scientific and Technical Information (OSTI)

    possible sources of arsenic at the CO[subscript 2] sequestration natural analog site in Chimayo, New Mexico (Journal Article) | SciTech Connect Journal Article: Developing a robust geochemical and reactive transport model to evaluate possible sources of arsenic at the CO[subscript 2] sequestration natural analog site in Chimayo, New Mexico Citation Details In-Document Search Title: Developing a robust geochemical and reactive transport model to evaluate possible sources of arsenic at the

  2. TOUGHREACT User's Guide: A Simulation Program for Non-isothermal Multiphase Reactive Geochemical Transport in Variably Saturated Geologic Media, V1.2.1

    SciTech Connect (OSTI)

    Xu, Tianfu; Sonnenthal, Eric; Spycher, Nicolas; Pruess, Karsten

    2008-09-29

    Coupled modeling of subsurface multiphase fluid and heat flow, solute transport, and chemical reactions can be applied to many geologic systems and environmental problems, including geothermal systems, diagenetic and weathering processes, subsurface waste disposal, acid mine drainage remediation, contaminant transport, and groundwater quality. TOUGHREACT has been developed as a comprehensive non-isothermal multi-component reactive fluid flow and geochemical transport simulator to investigate these and other problems. A number of subsurface thermo-physical-chemical processes are considered under various thermohydrological and geochemical conditions of pressure, temperature, water saturation, and ionic strength. TOUGHREACT can be applied to one-, two- or three-dimensional porous and fractured media with physical and chemical heterogeneity. The code can accommodate any number of chemical species present in liquid, gas and solid phases. A variety of equilibrium chemical reactions are considered, such as aqueous complexation, gas dissolution/exsolution, and cation exchange. Mineral dissolution/precipitation can take place subject to either local equilibrium or kinetic controls, with coupling to changes in porosity and permeability and capillary pressure in unsaturated systems. Chemical components can also be treated by linear adsorption and radioactive decay. The first version of the non-isothermal reactive geochemical transport code TOUGHREACT was developed (Xu and Pruess, 1998) by introducing reactive geochemistry into the framework of the existing multi-phase fluid and heat flow code TOUGH2 (Pruess, 1991). TOUGHREACT was further enhanced with the addition of (1) treatment of mineral-water-gas reactive-transport under boiling conditions, (2) an improved HKF activity model for aqueous species, (3) gas species diffusion coefficients calculated as a function of pressure, temperature, and molecular properties, (4) mineral reactive surface area formulations for fractured and porous media, and (5) porosity, permeability, and capillary pressure changes owing to mineral precipitation/dissolution (Sonnenthal et al., 1998, 2000, 2001; Spycher et al., 2003a). Subsequently, TOUGH2 V2 was released with additional EOS modules and features (Pruess et al., 1999). The present version of TOUGHREACT includes all of the previous extensions to the original version, along with the replacement of the original TOUGH2 (Pruess, 1991) by TOUGH2 V2 (Pruess et al., 1999). TOUGHREACT has been applied to a wide variety of problems, some of which are included as examples, such as: (1) Supergene copper enrichment (Xu et al., 2001); (2) Mineral alteration in hydrothermal systems (Xu and Pruess, 2001a; Xu et al., 2004b; Dobson et al., 2004); (3) Mineral trapping for CO{sub 2} disposal in deep saline aquifers (Xu et al., 2003b and 2004a); (4) Coupled thermal, hydrological, and chemical processes in boiling unsaturated tuff for the proposed nuclear waste emplacement site at Yucca Mountain, Nevada (Sonnenthal et al., 1998, 2001; Sonnenthal and Spycher, 2000; Spycher et al., 2003a, b; Xu et al., 2001); (5) Modeling of mineral precipitation/dissolution in plug-flow and fracture-flow experiments under boiling conditions (Dobson et al., 2003); (6) Calcite precipitation in the vadose zone as a function of net infiltration (Xu et al., 2003); and (7) Stable isotope fractionation in unsaturated zone pore water and vapor (Singleton et al., 2004). The TOUGHREACT program makes use of 'self-documenting' features. It is distributed with a number of input data files for sample problems. Besides providing benchmarks for proper code installation, these can serve as a self-teaching tutorial in the use of TOUGHREACT, and they provide templates to help jump-start new applications. The fluid and heat flow part of TOUGHREACT is derived from TOUGH2 V2, so in addition to the current manual, users must have the manual of the TOUGH2 V2 (Pruess et al., 1999). The present version of TOUGHREACT provides the following TOUGH2 fluid property or 'EOS' (equation-of-state) modules: (1) EOS1 for

  3. Developing a robust geochemical and reactive transport model to evaluate possible sources of arsenic at the CO[subscript 2] sequestration natural analog site in Chimayo, New Mexico

    SciTech Connect (OSTI)

    Viswanathan, Hari; Dai, Zhenxue; Lopano, Christina; Keating, Elizabeth; Hakala, J. Alexandra; Scheckel, Kirk G.; Zheng, Liange; Gutherie, George D.; Pawar, Rajesh

    2012-10-24

    Migration of carbon dioxide (CO{sub 2}) from deep storage formations into shallow drinking water aquifers is a possible system failure related to geologic CO{sub 2} sequestration. A CO{sub 2} leak may cause mineral precipitation/dissolution reactions, changes in aqueous speciation, and alteration of pH and redox conditions leading to potential increases of trace metal concentrations above EPA National Primary Drinking Water Standards. In this study, the Chimayo site (NM) was examined for site-specific impacts of shallow groundwater interacting with CO{sub 2} from deep storage formations. Major ion and trace element chemistry for the site have been previously studied. This work focuses on arsenic (As), which is regulated by the EPA under the Safe Drinking Water Act and for which some wells in the Chimayo area have concentrations higher than the maximum contaminant level (MCL). Statistical analysis of the existing Chimayo groundwater data indicates that As is strongly correlated with trace metals U and Pb indicating that their source may be from the same deep subsurface water. Batch experiments and materials characterization, such as: X-ray diffraction (XRD), scanning electron microscopy (SEM), and synchrotron micro X-ray fluorescence ({mu}-XRF), were used to identify As association with Fe-rich phases, such as clays or oxides, in the Chimayo sediments as the major factor controlling As fate in the subsurface. Batch laboratory experiments with Chimayo sediments and groundwater show that pH decreases as CO{sub 2} is introduced into the system and buffered by calcite. The introduction of CO{sub 2} causes an immediate increase in As solution concentration, which then decreases over time. A geochemical model was developed to simulate these batch experiments and successfully predicted the pH drop once CO{sub 2} was introduced into the experiment. In the model, sorption of As to illite, kaolinite and smectite through surface complexation proved to be the key reactions in simulating the drop in As concentration as a function of time in the batch experiments. Based on modeling, kaolinite precipitation is anticipated to occur during the experiment, which allows for additional sorption sites to form with time resulting in the slow decrease in As concentration. This mechanism can be viewed as trace metal 'scavenging' due to sorption caused secondary mineral precipitation. Since deep geologic transport of these trace metals to the shallow subsurface by brine or CO{sub 2} intrusion is critical to assessing environmental impacts, the effective retardation of trace metal transport is an important parameter to estimate and it is dependent on multiple coupled reactions. At the field scale, As mobility is retarded due to the influence of sorption reactions, which can affect environmental performance assessment studies of a sequestration site.

  4. Uranium transport in a crushed granodiorite: Experiments and reactive transport modeling

    DOE Public Access Gateway for Energy & Science Beta (PAGES Beta)

    Dittrich, T. M.; Reimus, P. W.

    2015-02-12

    The primary objective of this study was to develop and demonstrate an experimental method to refine and better parameterize process models for reactive contaminant transport in aqueous subsurface environments and to reduce conservatism in such models without attempting to fully describe the geochemical system.

  5. A Uranium Bioremediation Reactive Transport Benchmark

    SciTech Connect (OSTI)

    Yabusaki, Steven B.; Sengor, Sevinc; Fang, Yilin

    2015-06-01

    A reactive transport benchmark problem set has been developed based on in situ uranium bio-immobilization experiments that have been performed at a former uranium mill tailings site in Rifle, Colorado, USA. Acetate-amended groundwater stimulates indigenous microorganisms to catalyze the reduction of U(VI) to a sparingly soluble U(IV) mineral. The interplay between the flow, acetate loading periods and rates, microbially-mediated and geochemical reactions leads to dynamic behavior in metal- and sulfate-reducing bacteria, pH, alkalinity, and reactive mineral surfaces. The benchmark is based on an 8.5 m long one-dimensional model domain with constant saturated flow and uniform porosity. The 159-day simulation introduces acetate and bromide through the upgradient boundary in 14-day and 85-day pulses separated by a 10 day interruption. Acetate loading is tripled during the second pulse, which is followed by a 50 day recovery period. Terminal electron accepting processes for goethite, phyllosilicate Fe(III), U(VI), and sulfate are modeled using Monod-type rate laws. Major ion geochemistry modeled includes mineral reactions, as well as aqueous and surface complexation reactions for UO2++, Fe++, and H+. In addition to the dynamics imparted by the transport of the acetate pulses, U(VI) behavior involves the interplay between bioreduction, which is dependent on acetate availability, and speciation-controlled surface complexation, which is dependent on pH, alkalinity and available surface complexation sites. The general difficulty of this benchmark is the large number of reactions (74), multiple rate law formulations, a multisite uranium surface complexation model, and the strong interdependency and sensitivity of the reaction processes. Results are presented for three simulators: HYDROGEOCHEM, PHT3D, and PHREEQC.

  6. quantifying and Predicting Reactive Transport

    SciTech Connect (OSTI)

    Peter C. Burns, Department of Civil Engineering and Geological Sciences, University of Notre Dame

    2009-12-04

    This project was led by Dr. Jiamin Wan at Lawrence Berkeley National Laboratory. Peter Burns provided expertise in uranium mineralogy and in identification of uranium minerals in test materials. Dr. Wan conducted column tests regarding uranium transport at LBNL, and samples of the resulting columns were sent to Dr. Burns for analysis. Samples were analyzed for uranium mineralogy by X-ray powder diffraction and by scanning electron microscopy, and results were provided to Dr. Wan for inclusion in the modeling effort. Full details of the project can be found in Dr. Wan's final reports for the associated effort at LBNL.

  7. Developing a robust geochemical and reactive transport model...

    Office of Scientific and Technical Information (OSTI)

    Batch experiments and materials characterization, such as: X-ray diffraction (XRD), scanning electron microscopy (SEM), and synchrotron micro X-ray fluorescence (mu-XRF), were ...

  8. STOMP-ECKEChem: An Engineering Perspective on Reactive Transport in Geologic Media

    SciTech Connect (OSTI)

    White, Mark D.; Fang, Yilin

    2012-04-04

    ECKEChem (Equilibrium, Conservation, Kinetic Equation Chemistry) is a reactive transport module for the STOMP suite of multifluid subsurface flow and transport simulators that was developed from an engineering perspective. STOMP comprises a suite of operational modes that are distinguished by the solved coupled conservation equations with capabilities for a variety of subsurface applications (e.g., environmental remediation and stewardship, geologic sequestration of greenhouse gases, gas hydrate production, and oil shale production). The ECKEChem module was designed to provide integrated reactive transport capabilities across the suite of STOMP simulator operational modes. The initial application for the ECKEChem module was in the simulation of the mineralization reactions that occurred with the injection of supercritical carbon dioxide into deep Columbia River basalt formations, where it was implemented in the STOMP-CO2 simulator. The STOMP-ECKEChem solution approach to modeling reactive transport in multifluid geologic media is founded on an engineering perspective: (1) sequential non-iterative coupling between the flow and reactive transport is sufficient, (2) reactive transport can be modeled by operator splitting with local geochemistry and global transport, (3) geochemistry can be expressed as a system of coupled nonlinear equilibrium, conservation and kinetic equations, (4) a limited number of kinetic equation forms are used in geochemical practice. This chapter describes the conceptual approach to converting a geochemical reaction network into a series of equilibrium, conservation and kinetic equations, the implementation of ECKEChem in STOMP, the numerical solution approach, and a demonstration of the simulator on a complex application involving desorption of uranium from contaminated field-textured sediments.

  9. Geophysical monitoring and reactive transport modeling of ureolytically-driven calcium carbonate precipitation

    SciTech Connect (OSTI)

    Wu, Y.; Ajo-Franklin, J.B.; Spycher, N.; Hubbard, S.S.; Zhang, G.; Williams, K.H.; Taylor, J.; Fujita, Y.; Smith, R.

    2011-07-15

    Ureolytically-driven calcium carbonate precipitation is the basis for a promising in-situ remediation method for sequestration of divalent radionuclide and trace metal ions. It has also been proposed for use in geotechnical engineering for soil strengthening applications. Monitoring the occurrence, spatial distribution, and temporal evolution of calcium carbonate precipitation in the subsurface is critical for evaluating the performance of this technology and for developing the predictive models needed for engineering application. In this study, we conducted laboratory column experiments using natural sediment and groundwater to evaluate the utility of geophysical (complex resistivity and seismic) sensing methods, dynamic synchrotron x-ray computed tomography (micro-CT), and reactive transport modeling for tracking ureolytically-driven calcium carbonate precipitation processes under site relevant conditions. Reactive transport modeling with TOUGHREACT successfully simulated the changes of the major chemical components during urea hydrolysis. Even at the relatively low level of urea hydrolysis observed in the experiments, the simulations predicted an enhanced calcium carbonate precipitation rate that was 3-4 times greater than the baseline level. Reactive transport modeling results, geophysical monitoring data and micro-CT imaging correlated well with reaction processes validated by geochemical data. In particular, increases in ionic strength of the pore fluid during urea hydrolysis predicted by geochemical modeling were successfully captured by electrical conductivity measurements and confirmed by geochemical data. The low level of urea hydrolysis and calcium carbonate precipitation suggested by the model and geochemical data was corroborated by minor changes in seismic P-wave velocity measurements and micro-CT imaging; the latter provided direct evidence of sparsely distributed calcium carbonate precipitation. Ion exchange processes promoted through NH{sub 4}{sup +} production during urea hydrolysis were incorporated in the model and captured critical changes in the major metal species. The electrical phase increases were potentially due to ion exchange processes that modified charge structure at mineral/water interfaces. Our study revealed the potential of geophysical monitoring for geochemical changes during urea hydrolysis and the advantages of combining multiple approaches to understand complex biogeochemical processes in the subsurface.

  10. Geophysical Monitoring and Reactive Transport Modeling of Ureolytically-Driven Calcium Carbonate Precipitation

    SciTech Connect (OSTI)

    Yuxin Wu; Jonathan B. Ajo-Franklin; Nicolas Spycher; Susan S. Hubbard; Guoxiang Zhang; Kenneth H. Williams; Joanna Taylor; Yoshiko Fujita; Robert Smith

    2011-09-01

    Ureolytically-driven calcium carbonate precipitation is the basis for a promising in-situ remediation method for sequestration of divalent radionuclide and trace metal ions. It has also been proposed for use in geotechnical engineering for soil strengthening applications. Monitoring the occurrence, spatial distribution, and temporal evolution of calcium carbonate precipitation in the subsurface is critical for evaluating the performance of this technology and for developing the predictive models needed for engineering application. In this study, we conducted laboratory column experiments using natural sediment and groundwater to evaluate the utility of geophysical (complex resistivity and seismic) sensing methods, dynamic synchrotron x-ray computed tomography (micro-CT), and reactive transport modeling for tracking ureolytically-driven calcium carbonate precipitation processes under site relevant conditions. Reactive transport modeling with TOUGHREACT successfully simulated the changes of the major chemical components during urea hydrolysis. Even at the relatively low level of urea hydrolysis observed in the experiments, the simulations predicted an enhanced calcium carbonate precipitation rate that was 3-4 times greater than the baseline level. Reactive transport modeling results, geophysical monitoring data and micro-CT imaging correlated well with reaction processes validated by geochemical data. In particular, increases in ionic strength of the pore fluid during urea hydrolysis predicted by geochemical modeling were successfully captured by electrical conductivity measurements and confirmed by geochemical data. The low level of urea hydrolysis and calcium carbonate precipitation suggested by the model and geochemical data was corroborated by minor changes in seismic P-wave velocity measurements and micro-CT imaging; the latter provided direct evidence of sparsely distributed calcium carbonate precipitation. Ion exchange processes promoted through NH4+ production during urea hydrolysis were incorporated in the model and captured critical changes in the major metal species. The electrical phase increases were potentially due to ion exchange processes that modified charge structure at mineral/water interfaces. Our study revealed the potential of geophysical monitoring for geochemical changes during urea hydrolysis and the advantages of combining multiple approaches to understand complex biogeochemical processes in the subsurface.

  11. Lattice gas automata for flow and transport in geochemical systems

    SciTech Connect (OSTI)

    Janecky, D.R.; Chen, S.; Dawson, S.; Eggert, K.C.; Travis, B.J.

    1992-05-01

    Lattice gas automata models are described, which couple solute transport with chemical reactions at mineral surfaces within pore networks. Diffusion in a box calculations are illustrated, which compare directly with Fickian diffusion. Chemical reactions at solid surfaces, including precipitation/dissolution, sorption, and catalytic reaction, can be examined with the model because hydrodynamic transport, solute diffusion and mineral surface processes are all treated explicitly. The simplicity and flexibility of the approach provides the ability to study the interrelationship between fluid flow and chemical reactions in porous materials, at a level of complexity that has not previously been computationally possible.

  12. Lattice gas automata for flow and transport in geochemical systems

    SciTech Connect (OSTI)

    Janecky, D.R.; Chen, S.; Dawson, S.; Eggert, K.C.; Travis, B.J.

    1992-01-01

    Lattice gas automata models are described, which couple solute transport with chemical reactions at mineral surfaces within pore networks. Diffusion in a box calculations are illustrated, which compare directly with Fickian diffusion. Chemical reactions at solid surfaces, including precipitation/dissolution, sorption, and catalytic reaction, can be examined with the model because hydrodynamic transport, solute diffusion and mineral surface processes are all treated explicitly. The simplicity and flexibility of the approach provides the ability to study the interrelationship between fluid flow and chemical reactions in porous materials, at a level of complexity that has not previously been computationally possible.

  13. Chemically Reactive Working Fluids for the Capture and Transport of

    Office of Energy Efficiency and Renewable Energy (EERE) Indexed Site

    Concentrated Solar Thermal Energy for Power Generation | Department of Energy Chemically Reactive Working Fluids for the Capture and Transport of Concentrated Solar Thermal Energy for Power Generation Chemically Reactive Working Fluids for the Capture and Transport of Concentrated Solar Thermal Energy for Power Generation This presentation was delivered at the SunShot Concentrating Solar Power (CSP) Program Review 2013, held April 23-25, 2013 near Phoenix, Arizona. PDF icon

  14. A Reactive Transport Simulator for Biogeochemical Processes in Subsurface System

    Energy Science and Technology Software Center (OSTI)

    2003-04-01

    BIOGEOCHEM is a Fortran code that mumerically simulates the coupled processes of solute transport, microbial population dynamics, microbial metabolism, and geochemical reactions. The potential applications of the code include, but not limited to, (a) sensitivity and uncertainty analyses for assessing the impact of microbial activity on subsurface geochemical systems; (b) extraction of biogeochemical parameter values from field observations or laboratory measurements, (c) helping to design and optimize laboratory biogeochemical experiments, and (d) data integration. Methodmore » of Solution: A finite difference method and a Newton-Raphson technique are used to solve a set of coupled nonlinear partial differential equations and algebraic equations. Practical Application: Environmental analysis, bioremediation performance assessments of radioactive or non-radioactive wase disposal, and academic research.« less

  15. A Dual Regime Reactive Transport Model for Simulation of High Level Waste Tank Closure Scenarios - 13375

    SciTech Connect (OSTI)

    Sarkar, Sohini; Kosson, David S.; Brown, Kevin; Garrabrants, Andrew C.; Meeussen, Hans; Van der Sloot, Hans

    2013-07-01

    A numerical simulation framework is presented in this paper for estimating evolution of pH and release of major species from grout within high-level waste tanks after closure. This model was developed as part of the Cementitious Barriers Partnership. The reactive transport model consists of two parts - (1) transport of species, and (2) chemical reactions. The closure grout can be assumed to have varying extents of cracking and composition for performance assessment purposes. The partially or completely degraded grouted tank is idealized as a dual regime system comprising of a mobile region having solid materials with cracks and macro-pores, and an immobile/stagnant region having solid matrix with micropores. The transport profiles of the species are calculated by incorporating advection of species through the mobile region, diffusion of species through the immobile/stagnant region, and exchange of species between the mobile and immobile regions. A geochemical speciation code in conjunction with the pH dependent test data for a grout material is used to obtain a mineral set that best describes the trends in the test data of the major species. The dual regime reactive transport model predictions are compared with the release data from an up-flow column percolation test. The coupled model is then used to assess effects of crack state of the structure, rate and composition of the infiltrating water on the pH evolution at the grout-waste interface. The coupled reactive transport model developed in this work can be used as part of the performance assessment process for evaluating potential risks from leaching of a cracked tank containing elements of human health and environmental concern. (authors)

  16. A sequential partly iterative approach for multicomponent reactive transport with CORE2D

    SciTech Connect (OSTI)

    Samper, J.; Xu, T.; Yang, C.

    2008-11-01

    CORE{sup 2D} V4 is a finite element code for modeling partly or fully saturated water flow, heat transport and multicomponent reactive solute transport under both local chemical equilibrium and kinetic conditions. It can handle coupled microbial processes and geochemical reactions such as acid-base, aqueous complexation, redox, mineral dissolution/precipitation, gas dissolution/exsolution, ion exchange, sorption via linear and nonlinear isotherms, sorption via surface complexation. Hydraulic parameters may change due to mineral precipitation/dissolution reactions. Coupled transport and chemical equations are solved by using sequential iterative approaches. A sequential partly-iterative approach (SPIA) is presented which improves the accuracy of the traditional sequential noniterative approach (SNIA) and is more efficient than the general sequential iterative approach (SIA). While SNIA leads to a substantial saving of computing time, it introduces numerical errors which are especially large for cation exchange reactions. SPIA improves the efficiency of SIA because the iteration between transport and chemical equations is only performed in nodes with a large mass transfer between solid and liquid phases. The efficiency and accuracy of SPIA are compared to those of SIA and SNIA using synthetic examples and a case study of reactive transport through the Llobregat Delta aquitard in Spain. SPIA is found to be as accurate as SIA while requiring significantly less CPU time. In addition, SPIA is much more accurate than SNIA with only a minor increase in computing time. A further enhancement of the efficiency of SPIA is achieved by improving the efficiency of the Newton-Raphson method used for solving chemical equations. Such an improvement is obtained by working with increments of log-concentrations and ignoring the terms of the Jacobian matrix containing derivatives of activity coefficients. A proof is given for the symmetry and non-singularity of the Jacobian matrix. Numerical analyses performed with synthetic examples confirm that these modifications improve the efficiency and convergence of the iterative algorithm.

  17. User's Guide of TOUGH2-EGS. A Coupled Geomechanical and Reactive Geochemical Simulator for Fluid and Heat Flow in Enhanced Geothermal Systems Version 1.0

    SciTech Connect (OSTI)

    Fakcharoenphol, Perapon; Xiong, Yi; Hu, Litang; Winterfeld, Philip H.; Xu, Tianfu; Wu, Yu-Shu

    2013-05-01

    TOUGH2-EGS is a numerical simulation program coupling geomechanics and chemical reactions for fluid and heat flows in porous media and fractured reservoirs of enhanced geothermal systems. The simulator includes the fully-coupled geomechanical (THM) module, the fully-coupled geochemical (THC) module, and the sequentially coupled reactive geochemistry (THMC) module. The fully-coupled flow-geomechanics model is developed from the linear elastic theory for the thermo-poro-elastic system and is formulated with the mean normal stress as well as pore pressure and temperature. The chemical reaction is sequentially coupled after solution of flow equations, which provides the flow velocity and phase saturation for the solute transport calculation at each time step. In addition, reservoir rock properties, such as porosity and permeability, are subjected to change due to rock deformation and chemical reactions. The relationships between rock properties and geomechanical and chemical effects from poro-elasticity theories and empirical correlations are incorporated into the simulator. This report provides the user with detailed information on both mathematical models and instructions for using TOUGH2-EGS for THM, THC or THMC simulations. The mathematical models include the fluid and heat flow equations, geomechanical equation, reactive geochemistry equations, and discretization methods. Although TOUGH2-EGS has the capability for simulating fluid and heat flows coupled with both geomechanical and chemical effects, it is up to the users to select the specific coupling process, such as THM, THC, or THMC in a simulation. There are several example problems illustrating the applications of this program. These example problems are described in details and their input data are presented. The results demonstrate that this program can be used for field-scale geothermal reservoir simulation with fluid and heat flow, geomechanical effect, and chemical reaction in porous and fractured media.

  18. Subsurface Multiphase Flow and Multicomponent Reactive Transport Modeling using High-Performance Computing

    SciTech Connect (OSTI)

    Hammond, Glenn E.; Lichtner, Peter C.; Lu, Chuan

    2007-07-16

    Numerical modeling has become a critical tool to the U.S. Department of Energy for evaluating the environmental impact of alternative energy sources and remediation strategies for legacy waste sites. Unfortunately, the physical and chemical complexity of many sites overwhelms the capabilities of even most state of the art groundwater models. Of particular concern are the representation of highly-heterogeneous stratified rock/soil layers in the subsurface and the biological and geochemical interactions of chemical species within multiple fluid phases. Clearly, there is a need for higher-resolution modeling (i.e. more spatial, temporal, and chemical degrees of freedom) and increasingly mechanistic descriptions of subsurface physicochemical processes. We present SciDAC-funded research being performed in the development of PFLOTRAN, a parallel multiphase flow and multicomponent reactive transport model. Written in Fortran90, PFLOTRAN is founded upon PETSc data structures and solvers. We are employing PFLOTRAN in the simulation of uranium transport at the Hanford 300 Area, a contaminated site of major concern to the Department of Energy, the State of Washington, and other government agencies. By leveraging the billions of degrees of freedom available through high-performance computation using tens of thousands of processors, we can better characterize the release of uranium into groundwater and its subsequent transport to the Columbia River, and thereby better understand and evaluate the effectiveness of various proposed remediation strategies.

  19. End-Member Formulation of Solid Solutions and Reactive Transport

    SciTech Connect (OSTI)

    Lichtner, Peter C.

    2015-09-01

    A model for incorporating solid solutions into reactive transport equations is presented based on an end-member representation. Reactive transport equations are solved directly for the composition and bulk concentration of the solid solution. Reactions of a solid solution with an aqueous solution are formulated in terms of an overall stoichiometric reaction corresponding to a time-varying composition and exchange reactions, equivalent to reaction end-members. Reaction rates are treated kinetically using a transition state rate law for the overall reaction and a pseudo-kinetic rate law for exchange reactions. The composition of the solid solution at the onset of precipitation is assumed to correspond to the least soluble composition, equivalent to the composition at equilibrium. The stoichiometric saturation determines if the solid solution is super-saturated with respect to the aqueous solution. The method is implemented for a simple prototype batch reactor using Mathematica for a binary solid solution. Finally, the sensitivity of the results on the kinetic rate constant for a binary solid solution is investigated for reaction of an initially stoichiometric solid phase with an undersaturated aqueous solution.

  20. Subsurface Multiphase Flow and Multicomponent Reactive Transport Modeling using High-Performance Computing

    SciTech Connect (OSTI)

    Hammond, Glenn E.; Lichtner, Peter C.; Lu, Chuan

    2007-08-01

    Numerical modeling has become a critical tool to the Department of Energy for evaluating the environmental impact of alternative energy sources and remediation strategies for legacy waste sites. Unfortunately, the physical and chemical complexity of many sites overwhelms the capabilities of even most state of the art groundwater models. Of particular concern are the representation of highly-heterogeneous stratified rock/soil layers in the subsurface and the biological and geochemical interactions of chemical species within multiple fluid phases. Clearly, there is a need for higher-resolution modeling (i.e. more spatial, temporal, and chemical degrees of freedom) and increasingly mechanistic descriptions of subsurface physicochemical processes. We present research being performed in the development of PFLOTRAN, a parallel multiphase flow and multicomponent reactive transport model. Written in Fortran90, PFLOTRAN is founded upon PETSc data structures and solvers and has exhibited impressive strong scalability on up to 4000 processors on the ORNL Cray XT3. We are employing PFLOTRAN in the simulation of uranium transport at the Hanford 300 Area, a contaminated site of major concern to the Department of Energy, the State of Washington, and other government agencies where overly-simplistic historical modeling erroneously predicted decade removal times for uranium by ambient groundwater flow. By leveraging the billions of degrees of freedom available through high-performance computation using tens of thousands of processors, we can better characterize the release of uranium into groundwater and its subsequent transport to the Columbia River, and thereby better understand and evaluate the effectiveness of various proposed remediation strategies.

  1. Influence of calcite on uranium(VI) reactive transport in the groundwaterriver mixing zone

    SciTech Connect (OSTI)

    Ma, Rui; Liu, Chongxuan; Greskowiak, Janek; Prommer, Henning; Zachara, John M.; Zheng, Chunmiao

    2014-01-23

    Calcite is an important mineral that can affect uranyl reactive transport in subsurface sediments. This study investigated the distribution of calcite and its influence on uranyl adsorption and reactive transport in the groundwater-river mixing zone at US Hanford 300A, Washington State. Simulations using a 2D reactive transport model under field-relevant hydrogeochemical conditions revealed a complex distribution of calcite concentration as a result of dynamic groundwater-river interactions. The calcite concentration distribution in turn affected the spatial and temporal changes in aqueous carbonate, calcium, and pH, which subsequently influenced U(VI) mobility and discharge rates into the river. The results implied that calcite distribution and its concentration dynamics is an important consideration for field characterization, monitoring, and reactive transport prediction.

  2. Three-Dimensional Modeling of the Reactive Transport of CO2 and Its Impact

    Office of Scientific and Technical Information (OSTI)

    on Geomechanical Properties of Reservoir Rocks and Seals (Journal Article) | SciTech Connect Three-Dimensional Modeling of the Reactive Transport of CO2 and Its Impact on Geomechanical Properties of Reservoir Rocks and Seals Citation Details In-Document Search Title: Three-Dimensional Modeling of the Reactive Transport of CO2 and Its Impact on Geomechanical Properties of Reservoir Rocks and Seals This article develops a novel multiscale modeling approach to analyze CO2 reservoirs using

  3. Pore scale modeling of reactive transport involved in geologic CO2 sequestration

    SciTech Connect (OSTI)

    Kang, Qinjin; Lichtner, Peter C; Viswanathan, Hari S; Abdel-fattah, Amr I

    2009-01-01

    We apply a multi-component reactive transport lattice Boltzmann model developed in previolls studies to modeling the injection of a C02 saturated brine into various porous media structures at temperature T=25 and 80 C. The porous media are originally consisted of calcite. A chemical system consisting of Na+, Ca2+, Mg2+, H+, CO2(aq), and CI-is considered. The fluid flow, advection and diHusion of aqueous species, homogeneous reactions occurring in the bulk fluid, as weB as the dissolution of calcite and precipitation of dolomite are simulated at the pore scale. The effects of porous media structure on reactive transport are investigated. The results are compared with continuum scale modeling and the agreement and discrepancy are discussed. This work may shed some light on the fundamental physics occurring at the pore scale for reactive transport involved in geologic C02 sequestration.

  4. INEEL Subregional Conceptual Model Report Volume 2: Summary of Existing Knowledge of Geochemical Influences on the Fate and Transport of Contaminants in the Subsurface at the INEEL

    SciTech Connect (OSTI)

    Paul L. Wichlacz; Robert C. Starr; Brennon Orr

    2003-09-01

    This document summarizes previous descriptions of geochemical system conceptual models for the vadose zone and groundwater zone (aquifer) beneath the Idaho National Engineering and Environmental Laboratory (INEEL). The primary focus is on groundwater because contaminants derived from wastes disposed at INEEL are present in groundwater, groundwater provides a pathway for potential migration to receptors, and because geochemical characteristics in and processes in the aquifer can substantially affect the movement, attenuation, and toxicity of contaminants. The secondary emphasis is perched water bodies in the vadose zone. Perched water eventually reaches the regional groundwater system, and thus processes that affect contaminants in the perched water bodies are important relative to the migration of contaminants into groundwater. Similarly, processes that affect solutes during transport from nearsurface disposal facilities downward through the vadose zone to the aquifer are relevant. Sediments in the vadose zone can affect both water and solute transport by restricting the downward migration of water sufficiently that a perched water body forms, and by retarding solute migration via ion exchange. Geochemical conceptual models have been prepared by a variety of researchers for different purposes. They have been published in documents prepared by INEEL contractors, the United States Geological Survey (USGS), academic researchers, and others. The documents themselves are INEEL and USGS reports, and articles in technical journals. The documents reviewed were selected from citation lists generated by searching the INEEL Technical Library, the INEEL Environmental Restoration Optical Imaging System, and the ISI Web of Science databases. The citation lists were generated using the keywords ground water, groundwater, chemistry, geochemistry, contaminant, INEL, INEEL, and Idaho. In addition, a list of USGS documents that pertain to the INEEL was obtained and manually searched. The documents that appeared to be the most pertinent were selected from further review. These documents are tabulated in the citation list. This report summarizes existing geochemical conceptual models, but does not attempt to generate a new conceptual model or select the ''right'' model. This document is organized as follows. Geochemical models are described in general in Section 2. Geochemical processes that control the transport and fate of contaminants introduced into groundwater are described in Section 3. The natural geochemistry of the Eastern Snake River Plain Aquifer (SRPA) is described in Section 4. The effect of waste disposal on the INEEL subsurface is described in Section 5. The geochemical behavior of the major contaminants is described in Section 6. Section 7 describes the site-specific geochemical models developed for various INEEL facilities.

  5. Geochemical Evaluation of Uranium Fate and Transport Guterl Specialty Steel Site, New York - 12077

    SciTech Connect (OSTI)

    Frederick, Bill; Tandon, Vikas

    2012-07-01

    Between 1948 and 1952, up to 15,875 metric tons (35 million pounds) of natural uranium metal (U) were processed at the former Guterl Specialty Steel Corporation site in Lockport, New York. The resulting dust, thermal scale, mill shavings and associated land disposal contaminated both the facility and on-site soils. Uranium subsequently impacted groundwater and a fully developed plume exists below the site. Site soils are composed of anthropogenic fill and re-worked, glacially-derived native soil. This overburden is underlain by the weathered and fractured Lockport Dolostone bedrock. Shallow groundwater levels fluctuate seasonally and allow groundwater to contact U contaminated soil, which promotes transport. This condition is exemplified through coincident increases in specific conductivity and groundwater levels, which flush soluble constituents in the fill/soil to groundwater during recharge events. In addition, water-level fluctuations affect reduction-oxidation (redox) conditions at the site. The U in soils is subject to wetting and drying cycles that promote oxidation more than stable redox conditions (e.g., dry soil or fully saturated conditions). This oxidizing mechanism increases uranium solubility and mobility. Site groundwater also receives uranium via leaching from near-surface contaminated fill. The strong correlation between nitrate and uranium in groundwater indicates that uranium is mobile where oxidizing conditions occur. Analytical models of contaminant leaching determined that multiple pathways and transport mechanisms govern site risk. Uranium transport to groundwater involves three mechanisms: 1) direct contact of contaminated soil with groundwater, 2) the oxidation-state or chemical valence of uranium, and 3) the leaching of near-surface contamination to groundwater. These mechanisms require an integrated remedial solution that is sustainable and cost effective. (authors)

  6. Application of a data assimilation method via an ensemble Kalman filter to reactive urea hydrolysis transport modeling

    SciTech Connect (OSTI)

    Juxiu Tong; Bill X. Hu; Hai Huang; Luanjin Guo; Jinzhong Yang

    2014-03-01

    With growing importance of water resources in the world, remediations of anthropogenic contaminations due to reactive solute transport become even more important. A good understanding of reactive rate parameters such as kinetic parameters is the key to accurately predicting reactive solute transport processes and designing corresponding remediation schemes. For modeling reactive solute transport, it is very difficult to estimate chemical reaction rate parameters due to complex processes of chemical reactions and limited available data. To find a method to get the reactive rate parameters for the reactive urea hydrolysis transport modeling and obtain more accurate prediction for the chemical concentrations, we developed a data assimilation method based on an ensemble Kalman filter (EnKF) method to calibrate reactive rate parameters for modeling urea hydrolysis transport in a synthetic one-dimensional column at laboratory scale and to update modeling prediction. We applied a constrained EnKF method to pose constraints to the updated reactive rate parameters and the predicted solute concentrations based on their physical meanings after the data assimilation calibration. From the study results we concluded that we could efficiently improve the chemical reactive rate parameters with the data assimilation method via the EnKF, and at the same time we could improve solute concentration prediction. The more data we assimilated, the more accurate the reactive rate parameters and concentration prediction. The filter divergence problem was also solved in this study.

  7. Semianalytical Solutions of Radioactive or Reactive Tracer Transport in Layered Fractured Media

    SciTech Connect (OSTI)

    G.J. Moridis; G. S. Bodvarsson

    2001-10-01

    In this paper, semianalytical solutions are developed for the problem of transport of radioactive or reactive tracers (solutes or colloids) through a layered system of heterogeneous fractured media with misaligned fractures. The tracer transport equations in the matrix account for (a) diffusion, (b) surface diffusion (for solutes only), (c) mass transfer between the mobile and immobile water fractions, (d) linear kinetic or equilibrium physical, chemical, or combined solute sorption or colloid filtration, and (e) radioactive decay or first order chemical reactions. Any number of radioactive decay daughter products (or products of a linear, first-order reaction chain) can be tracked. The tracer-transport equations in the fractures account for the same processes, in addition to advection and hydrodynamic dispersion. Additionally, the colloid transport equations account for straining and velocity adjustments related to the colloidal size. The solutions, which are analytical in the Laplace space, are numerically inverted to provide the solution in time and can accommodate any number of fractured and/or porous layers. The solutions are verified using analytical solutions for limiting cases of solute and colloid transport through fractured and porous media. The effect of important parameters on the transport of {sup 3}H, {sup 237}Np and {sup 239}Pu (and its daughters) is investigated in several test problems involving layered geological systems of varying complexity. {sup 239}Pu colloid transport problems in multilayered systems indicate significant colloid accumulations at straining interfaces but much faster transport of the colloid than the corresponding strongly sorbing solute species.

  8. Coupled reactive mass transport and fluid flow: Issues in model verification

    SciTech Connect (OSTI)

    Freedman, Vicky L.; Ibaraki, Motomu

    2003-01-03

    Model verification and validation are both important steps in the development of reactive transport models. In this paper, a distinction is made between verification and validation, and the focus is on codifying the issues of verification for a numerical, reactive transport flow model. First, the conceptual basis of model verification is reviewed, which shows that verification should be understood as a first step in model development, and be followed by a protocol that assures that the model accurately represents system behavior. Second, commonly used procedures and methods of model verification are presented. In the third part of this paper, an intercomparison of models is used to demonstrate that model verification can be performed despite differences in hydrogeochemical transport code formulations. Results of an example simulation of transport are presented in which the numerical model is tested against other hydrogeochemical codes. Different kinetic formulations between solid and aqueous phases used among numerical models complicates model verification. This test problem involves uranium transport under conditions of varying pH and oxidation potential, with reversible precipitation of calcium uranate and coffinite. Results between the different hydrogeochemical transport codes show differences in oxidation potentials, but similarities in mineral assemblages and aqueous transport patterns. Because model verification can be further complicated by differences in the approach for solving redox problems, a comparison of a fugacity approach to both the external approach (based on hypothetical electron activity) and effective internal approach (based on conservation of electrons) is performed. The comparison demonstrates that the oxygen fugacity approach produces different redox potentials and mineral assemblages than both the effective internal and external approaches.

  9. A reaction-based paradigm to model reactive chemical transport in groundwater with general kinetic and equilibrium reactions

    SciTech Connect (OSTI)

    Zhang, Fan; Yeh, Gour-Tsyh; Parker, Jack C; Brooks, Scott C; Pace, Molly; Kim, Young Jin; Jardine, Philip M; Watson, David B

    2007-01-01

    This paper presents a reaction-based water quality transport model in subsurface flow systems. Transport of chemical species with a variety of chemical and physical processes is mathematically described by M partial differential equations (PDEs). Decomposition via Gauss-Jordan column reduction of the reaction network transforms M species reactive transport equations into two sets of equations: a set of thermodynamic equilibrium equations representing NE equilibrium reactions and a set of reactive transport equations of M-NE kinetic-variables involving no equilibrium reactions (a kinetic-variable is a linear combination of species). The elimination of equilibrium reactions from reactive transport equations allows robust and efficient numerical integration. The model solves the PDEs of kinetic-variables rather than individual chemical species, which reduces the number of reactive transport equations and simplifies the reaction terms in the equations. A variety of numerical methods are investigated for solving the coupled transport and reaction equations. Simulation comparisons with exact solutions were performed to verify numerical accuracy and assess the effectiveness of various numerical strategies to deal with different application circumstances. Two validation examples involving simulations of uranium transport in soil columns are presented to evaluate the ability of the model to simulate reactive transport with complex reaction networks involving both kinetic and equilibrium reactions.

  10. Multiphase flow and multicomponent reactive transport model of the ventilation experiment in Opalinus clay

    SciTech Connect (OSTI)

    Zheng, L.; Samper, J.; Montenegro, L.; Major, J.C.

    2008-10-15

    During the construction and operational phases of a high-level radioactive waste (HLW) repository constructed in a clay formation, ventilation of underground drifts will cause desaturation and oxidation of the rock. The Ventilation Experiment (VE) was performed in a 1.3 m diameter unlined horizontal microtunnel on Opalinus clay at Mont Terri underground research laboratory in Switzerland to evaluate the impact of desaturation on rock properties. A multiphase flow and reactive transport model of VE is presented here. The model accounts for liquid, vapor and air flow, evaporation/condensation and multicomponent reactive solute transport with kinetic dissolution of pyrite and siderite and local-equilibrium dissolution/precipitation of calcite, ferrihydrite, dolomite, gypsum and quartz. Model results reproduce measured vapor flow, liquid pressure and hydrochemical data and capture the trends of measured relative humidities, although such data are slightly overestimated near the rock interface due to uncertainties in the turbulence factor. Rock desaturation allows oxygen to diffuse into the rock and triggers pyrite oxidation, dissolution of calcite and siderite, precipitation of ferrihydrite, dolomite and gypsum and cation exchange. pH in the unsaturated rock varies from 7.8 to 8 and is buffered by calcite. Computed changes in the porosity and the permeability of Opalinus clay in the unsaturated zone caused by oxidation and mineral dissolution/precipitation are smaller than 5%. Therefore, rock properties are not expected to be affected significantly by ventilation of underground drifts during construction and operational phases of a HLW repository in clay.

  11. Assessment of Controlling Processes for Field-Scale Uranium Reactive Transport under Highly Transient Flow Conditions

    SciTech Connect (OSTI)

    Ma, Rui; Zheng, Chunmiao; Liu, Chongxuan; Greskowiak, Janek; Prommer, Henning; Zachara, John M.

    2014-02-13

    This paper presents the results of a comprehensive model-based analysis of a uranium tracer test conducted at the U.S Department of Energy Hanford 300 Area (300A) IFRC site. A three-dimensional multi-component reactive transport model was employed to assess the key factors and processes that control the field-scale uranium reactive transport. Taking into consideration of relevant physical and chemical processes, the selected conceptual/numerical model replicates the spatial and temporal variations of the observed U(VI) concentrations reasonably well in spite of the highly complex field conditions. A sensitivity analysis was performed to interrogate the relative importance of various processes and factors for reactive transport of U(VI) at the field-scale. The results indicate that multi-rate U(VI) sorption/desorption, U(VI) surface complexation reactions, and initial U(VI) concentrations were the most important processes and factors controlling U(VI) migration. On the other hand, cation exchange reactions, the choice of the surface complexation model, and dual-domain mass transfer processes, which were previously identified to be important in laboratory experiments, played less important roles under the field-scale experimental condition at the 300A site. However, the model simulations also revealed that the groundwater chemistry was relatively stable during the uranium tracer experiment and therefore presumably not dynamic enough to appropriately assess the effects of ion exchange reaction and the choice of surface complexation models on U(VI) sorption and desorption. Furthermore, it also showed that the field experimental duration (16 days) was not sufficiently long to precisely assess the role of a majority of the sorption sites that were accessed by slow kinetic processes within the dual domain model. The sensitivity analysis revealed the crucial role of the intraborehole flow that occurred within the long-screened monitoring wells and thus significantly affected both field-scale measurements and simulated U(VI) concentrations as a combined effect of aquifer heterogeneity and highly dynamic flow conditions. Overall, this study, which provides one of the few detailed and highly data-constrained uranium transport simulations, highlights the difference in controlling processes between laboratory and field scale that prevent a simple direct upscaling of laboratory-scale models.

  12. Reactive transport modeling to study changes in water chemistry induced by CO2 injection at the Frio-I brine pilot

    SciTech Connect (OSTI)

    Kharaka, Y.K; Doughty, C.; Freifeld, B.M.; Daley, T.M.; Xu, T.

    2009-11-01

    To demonstrate the potential for geologic storage of CO{sub 2} in saline aquifers, the Frio-I Brine Pilot was conducted, during which 1600 tons of CO{sub 2} were injected into a high-permeability sandstone and the resulting subsurface plume of CO{sub 2} was monitored using a variety of hydrogeological, geophysical, and geochemical techniques. Fluid samples were obtained before CO{sub 2} injection for baseline geochemical characterization, during the CO{sub 2} injection to track its breakthrough at a nearby observation well, and after injection to investigate changes in fluid composition and potential leakage into an overlying zone. Following CO{sub 2} breakthrough at the observation well, brine samples showed sharp drops in pH, pronounced increases in HCO{sub 3}{sup -} and aqueous Fe, and significant shifts in the isotopic compositions of H{sub 2}O and dissolved inorganic carbon. Based on a calibrated 1-D radial flow model, reactive transport modeling was performed for the Frio-I Brine Pilot. A simple kinetic model of Fe release from the solid to aqueous phase was developed, which can reproduce the observed increases in aqueous Fe concentration. Brine samples collected after half a year had lower Fe concentrations due to carbonate precipitation, and this trend can be also captured by our modeling. The paper provides a method for estimating potential mobile Fe inventory, and its bounding concentration in the storage formation from limited observation data. Long-term simulations show that the CO{sub 2} plume gradually spreads outward due to capillary forces, and the gas saturation gradually decreases due to its dissolution and precipitation of carbonates. The gas phase is predicted to disappear after 500 years. Elevated aqueous CO{sub 2} concentrations remain for a longer time, but eventually decrease due to carbonate precipitation. For the Frio-I Brine Pilot, all injected CO{sub 2} could ultimately be sequestered as carbonate minerals.

  13. Reactive Transport and Coupled THM Processes in Engineering Barrier Systems (EBS)

    SciTech Connect (OSTI)

    Steefel, Carl; Rutqvist, Jonny; Tsang, Chin-Fu; Liu, Hui-Hai; Sonnenthal, Eric; Houseworth, Jim; Birkholzer, Jens

    2010-08-31

    Geological repositories for disposal of high-level nuclear wastes generally rely on a multi-barrier system to isolate radioactive wastes from the biosphere. The multi-barrier system typically consists of a natural barrier system, including repository host rock and its surrounding subsurface environment, and an engineering barrier system (EBS). EBS represents the man-made, engineered materials placed within a repository, including the waste form, waste canisters, buffer materials, backfill and seals (OECD, 2003). EBS plays a significant role in the containment and long-term retardation of radionuclide release. EBS is involved in complex thermal, hydrogeological, mechanical, chemical and biological processes, such as heat release due to radionuclide decay, multiphase flow (including gas release due to canister corrosion), swelling of buffer materials, radionuclide diffusive transport, waste dissolution and chemical reactions. All these processes are related to each other. An in-depth understanding of these coupled processes is critical for the performance assessment (PA) for EBS and the entire repository. Within the EBS group of Used Fuel Disposition (UFD) Campaign, LBNL is currently focused on (1) thermal-hydraulic-mechanical-chemical (THMC) processes in buffer materials (bentonite) and (2) diffusive transport in EBS associated with clay host rock, with a long-term goal to develop a full understanding of (and needed modeling capabilities to simulate) impacts of coupled processes on radionuclide transport in different components of EBS, as well as the interaction between near-field host rock (e.g., clay) and EBS and how they effect radionuclide release. This final report documents the progress that LBNL has made in its focus areas. Specifically, Section 2 summarizes progress on literature review for THMC processes and reactive-diffusive radionuclide transport in bentonite. The literature review provides a picture of the state-of-the-art of the relevant research areas addressed by LBNL. Section 3 documents the current modeling tools, available at LBNL, for the EBS study. This may be important for identifying future modeling activities within the EBS group with these current capabilities and needs for future EBS modeling development. Section 4 presents the results of geomechanical modeling using the Barcelona Basic Model (BBM) constitutive relationship for thermo-elasto-plastic media such as bentonite and an update on reactive-diffusive transport modeling approaches through bentonite in the EBS. Section 5 discusses identified knowledge gaps and technical issues as well as short- and long-term R&D plans.

  14. Reactive chemical transport in ground-water hydrology: Challenges to mathematical modeling

    SciTech Connect (OSTI)

    Narasimhan, T.N.; Apps, J.A.

    1990-07-01

    For a long time, earth scientists have qualitatively recognized that mineral assemblages in soils and rocks conform to established principles of chemistry. In the early 1960's geochemists began systematizing this knowledge by developing quantitative thermodynamic models based on equilibrium considerations. These models have since been coupled with advective-dispersive-diffusive transport models, already developed by ground-water hydrologists. Spurred by a need for handling difficult environmental issues related to ground-water contamination, these models are being improved, refined and applied to realistic problems of interest. There is little doubt that these models will play an important role in solving important problems of engineering as well as science over the coming years. Even as these models are being used practically, there is scope for their improvement and many challenges lie ahead. In addition to improving the conceptual basis of the governing equations, much remains to be done to incorporate kinetic processes and biological mediation into extant chemical equilibrium models. Much also remains to be learned about the limits to which model predictability can be reasonably taken. The purpose of this paper is to broadly assess the current status of knowledge in modeling reactive chemical transport and to identify the challenges that lie ahead.

  15. Release of aged contaminants from weathered sediments: Effects of sorbate speciation on scaling of reactive transport

    SciTech Connect (OSTI)

    Chorover, Jon; Perdrial, Nico; Mueller, Karl; Strepka, Caleb; O???¢????????Day, Peggy; Rivera, Nelson; Um, Wooyong; Chang, Hyun-Shik; Steefel, Carl; Thompson, Aaron

    2012-11-05

    Hanford sediments impacted by hyperalkaline high level radioactive waste have undergone incongruent silicate mineral weathering concurrent with contaminant uptake. In this project, we studied the impact of background pore water (BPW) on strontium, cesium and iodine desorption and transport in Hanford sediments that were experimentally weathered by contact with simulated hyperalkaline tank waste leachate (STWL) solutions. Using those lab-weathered Hanford sediments (HS) and model precipitates formed during nucleation from homogeneous STWL solutions (HN), we (i) provided thorough characterization of reaction products over a matrix of field-relevant gradients in contaminant concentration, partial pressure of carbon dioxide, and reaction time; (ii) improved molecular-scale understanding of how sorbate speciation controls contaminant desorption from weathered sediments upon removal of caustic sources; and (iii) developed a mechanistic, predictive model of meso- to field-scale contaminant reactive transport under these conditions. In this final report, we provide detailed descriptions of our results from this three-year study, completed in 2012 following a one-year no cost extension.

  16. REDUCING UNCERTAINTIES IN MODEL PREDICTIONS VIA HISTORY MATCHING OF CO2 MIGRATION AND REACTIVE TRANSPORT MODELING OF CO2 FATE AT THE SLEIPNER PROJECT

    SciTech Connect (OSTI)

    Zhu, Chen

    2015-03-31

    An important question for the Carbon Capture, Storage, and Utility program is “can we adequately predict the CO2 plume migration?” For tracking CO2 plume development, the Sleipner project in the Norwegian North Sea provides more time-lapse seismic monitoring data than any other sites, but significant uncertainties still exist for some of the reservoir parameters. In Part I, we assessed model uncertainties by applying two multi-phase compositional simulators to the Sleipner Benchmark model for the uppermost layer (Layer 9) of the Utsira Sand and calibrated our model against the time-lapsed seismic monitoring data for the site from 1999 to 2010. Approximate match with the observed plume was achieved by introducing lateral permeability anisotropy, adding CH4 into the CO2 stream, and adjusting the reservoir temperatures. Model-predicted gas saturation, CO2 accumulation thickness, and CO2 solubility in brine—none were used as calibration metrics—were all comparable with the interpretations of the seismic data in the literature. In Part II & III, we evaluated the uncertainties of predicted long-term CO2 fate up to 10,000 years, due to uncertain reaction kinetics. Under four scenarios of the kinetic rate laws, the temporal and spatial evolution of CO2 partitioning into the four trapping mechanisms (hydrodynamic/structural, solubility, residual/capillary, and mineral) was simulated with ToughReact, taking into account the CO2-brine-rock reactions and the multi-phase reactive flow and mass transport. Modeling results show that different rate laws for mineral dissolution and precipitation reactions resulted in different predicted amounts of trapped CO2 by carbonate minerals, with scenarios of the conventional linear rate law for feldspar dissolution having twice as much mineral trapping (21% of the injected CO2) as scenarios with a Burch-type or Alekseyev et al.–type rate law for feldspar dissolution (11%). So far, most reactive transport modeling (RTM) studies for CCUS have used the conventional rate law and therefore simulated the upper bound of mineral trapping. However, neglecting the regional flow after injection, as most previous RTM studies have done, artificially limits the extent of geochemical reactions as if it were in a batch system. By replenishing undersaturated groundwater from upstream, the Utsira Sand is reactive over a time scale of 10,000 years. The results from this project have been communicated via five peer-reviewed journal articles, four conference proceeding papers, and 19 invited and contributed presentations at conferences and seminars.

  17. Reaction-Based Reactive Transport Modeling of Fe(III) and U(V) Reduction

    SciTech Connect (OSTI)

    Burgos, William D.; Roden, Eric E.; Yeh, Gour-Tsyh

    2005-06-01

    Our new research project (started Fall 2004) was funded by a grant to The Pennsylvania State University, University of Central Florida, and The University of Alabama in the Integrative Studies Element of the NABIR Program (DE-FG04-ER63914/63915/63196). Our previous NABIR project (DE-FG02-01ER63180/63181/63182, funded within the Biotransformation Element) focused on (1) microbial reduction of Fe(III) and U(VI) individually, and concomitantly in natural sediments, (2) Fe(III) oxide surface chemistry, specifically with respect to reactions with Fe(II) and U(VI), (3) the influence of humic substances on Fe(III) and U(VI) bioreduction, and on U(VI) complexation, and (4) the development of reaction-based reactive transport biogeochemical models to numerically simulate our experimental results. The new project focuses on the development of a mechanistic understanding and quantitative models of coupled Fe(III)/U(VI) reduction in FRC Area 2 sediments. This work builds on our previous studies of microbial Fe(III) and U(VI) reduction, and is directly aligned with the Scheibe et al. NABIR FRC Field Project at Area 2.

  18. Reactive facies: An approach for parameterizing field-scale reactive...

    Office of Scientific and Technical Information (OSTI)

    Reactive facies: An approach for parameterizing field-scale reactive transport models using geophysical methods Citation Details In-Document Search Title: Reactive facies: An...

  19. Quantification of Hydrological, Geochemical, and Mineralogical Processes Governing the Fate and Transport of Uranium over Multiple Scales in Hanford Sediments

    SciTech Connect (OSTI)

    Mayes, Melanie A.; Perfect, Edmund; van den Berg, Elmer; Parker, Jack C.; Jardine, Philip M.; Tang, Guoping; Fendorf, Scott

    2006-11-15

    A long-term measure of the DOE Environmental Remediation Sciences Division is to provide sufficient scientific understanding to allow a significant fraction of DOE sites to incorporate coupled biological, chemical, and physical processes into decision making for environmental remediation and long-term stewardship by 2015. Our research targets two related, major obstacles to understanding and predicting contaminant transport at DOE sites: the heterogeneity of subsurface geologic media, and the scale dependence of experimental and modeled results.

  20. Reactive sputter deposition of pyrite structure transition metal disulfide thin films: Microstructure, transport, and magnetism

    SciTech Connect (OSTI)

    Baruth, A.; Manno, M.; Narasimhan, D.; Shankar, A.; Zhang, X.; Johnson, M.; Aydil, E. S.; Leighton, C. [Department of Chemical Engineering and Materials Science, University of Minnesota, Minneapolis, Minnesota 55455 (United States)

    2012-09-01

    Transition metal disulfides crystallizing in the pyrite structure (e.g., TMS{sub 2}, with TM = Fe, Co, Ni, and Cu) are a class of materials that display a remarkably diverse array of functional properties. These properties include highly spin-polarized ferromagnetism (in Co{sub 1-x}Fe{sub x}S{sub 2}), superconductivity (in CuS{sub 2}), an antiferromagnetic Mott insulating ground state (in NiS{sub 2}), and semiconduction with close to optimal parameters for solar absorber applications (in FeS{sub 2}). Exploitation of these properties in heterostructured devices requires the development of reliable and reproducible methods for the deposition of high quality pyrite structure thin films. In this manuscript, we report on the suitability of reactive sputter deposition from metallic targets in an Ar/H{sub 2}S environment as a method to achieve exactly this. Optimization of deposition temperature, Ar/H{sub 2}S pressure ratio, and total working gas pressure, assisted by plasma optical emission spectroscopy, reveals significant windows over which deposition of single-phase, polycrystalline, low roughness pyrite films can be achieved. This is illustrated for the test cases of the ferromagnetic metal CoS{sub 2} and the diamagnetic semiconductor FeS{sub 2}, for which detailed magnetic and transport characterization are provided. The results indicate significant improvements over alternative deposition techniques such as ex situ sulfidation of metal films, opening up exciting possibilities for all-sulfide heterostructured devices. In particular, in the FeS{sub 2} case it is suggested that fine-tuning of the sputtering conditions provides a potential means to manipulate doping levels and conduction mechanisms, critical issues in solar cell applications. Parenthetically, we note that conditions for synthesis of phase-pure monosulfides and thiospinels are also identified.

  1. HBH-GEOCHEM-GEOPHY

    Energy Science and Technology Software Center (OSTI)

    003015WKSTN00 Hiereachical Bayesian Model for Combining Geochemical and Geophysical Data for Environmental Applications Software

  2. Reactive transport modeling of stable carbon isotope fractionation in a multi-phase multi-component system during carbon sequestration

    DOE Public Access Gateway for Energy & Science Beta (PAGES Beta)

    Zhang, Shuo; DePaolo, Donald J.; Zheng, Liange; Mayer, Bernhard

    2014-12-31

    Carbon stable isotopes can be used in characterization and monitoring of CO2 sequestration sites to track the migration of the CO2 plume and identify leakage sources, and to evaluate the chemical reactions that take place in the CO2-water-rock system. However, there are few tools available to incorporate stable isotope information into flow and transport codes used for CO2 sequestration problems. We present a numerical tool for modeling the transport of stable carbon isotopes in multiphase reactive systems relevant to geologic carbon sequestration. The code is an extension of the reactive transport code TOUGHREACT. The transport module of TOUGHREACT was modifiedmore » to include separate isotopic species of CO2 gas and dissolved inorganic carbon (CO2, CO32-, HCO3-,…). Any process of transport or reaction influencing a given carbon species also influences its isotopic ratio. Isotopic fractionation is thus fully integrated within the dynamic system. The chemical module and database have been expanded to include isotopic exchange and fractionation between the carbon species in both gas and aqueous phases. The performance of the code is verified by modeling ideal systems and comparing with theoretical results. Efforts are also made to fit field data from the Pembina CO2 injection project in Canada. We show that the exchange of carbon isotopes between dissolved and gaseous carbon species combined with fluid flow and transport, produce isotopic effects that are significantly different from simple two-component mixing. These effects are important for understanding the isotopic variations observed in field demonstrations.« less

  3. Reactive transport modeling of stable carbon isotope fractionation in a multi-phase multi-component system during carbon sequestration

    SciTech Connect (OSTI)

    Zhang, Shuo [Lawrence Berkeley National Lab. (LBNL), Berkeley, CA (United States); DePaolo, Donald J. [Lawrence Berkeley National Lab. (LBNL), Berkeley, CA (United States); Zheng, Liange [Lawrence Berkeley National Lab. (LBNL), Berkeley, CA (United States); Mayer, Bernhard [Univ. of Calgary (Canada). Dept. of Geosciences

    2014-12-31

    Carbon stable isotopes can be used in characterization and monitoring of CO2 sequestration sites to track the migration of the CO2 plume and identify leakage sources, and to evaluate the chemical reactions that take place in the CO2-water-rock system. However, there are few tools available to incorporate stable isotope information into flow and transport codes used for CO2 sequestration problems. We present a numerical tool for modeling the transport of stable carbon isotopes in multiphase reactive systems relevant to geologic carbon sequestration. The code is an extension of the reactive transport code TOUGHREACT. The transport module of TOUGHREACT was modified to include separate isotopic species of CO2 gas and dissolved inorganic carbon (CO2, CO32-, HCO3-,). Any process of transport or reaction influencing a given carbon species also influences its isotopic ratio. Isotopic fractionation is thus fully integrated within the dynamic system. The chemical module and database have been expanded to include isotopic exchange and fractionation between the carbon species in both gas and aqueous phases. The performance of the code is verified by modeling ideal systems and comparing with theoretical results. Efforts are also made to fit field data from the Pembina CO2 injection project in Canada. We show that the exchange of carbon isotopes between dissolved and gaseous carbon species combined with fluid flow and transport, produce isotopic effects that are significantly different from simple two-component mixing. These effects are important for understanding the isotopic variations observed in field demonstrations.

  4. Hiereachical Bayesian Model for Combining Geochemical and Geophysical Data for Environmental Applications Software

    Energy Science and Technology Software Center (OSTI)

    2013-05-01

    Development of a hierarchical Bayesian model to estimate the spatiotemporal distribution of aqueous geochemical parameters associated with in-situ bioremediation using surface spectral induced polarization (SIP) data and borehole geochemical measurements collected during a bioremediation experiment at a uranium-contaminated site near Rifle, Colorado. The SIP data are first inverted for Cole-Cole parameters including chargeability, time constant, resistivity at the DC frequency and dependence factor, at each pixel of two-dimensional grids using a previously developed stochastic method.more » Correlations between the inverted Cole-Cole parameters and the wellbore-based groundwater chemistry measurements indicative of key metabolic processes within the aquifer (e.g. ferrous iron, sulfate, uranium) were established and used as a basis for petrophysical model development. The developed Bayesian model consists of three levels of statistical sub-models: 1) data model, providing links between geochemical and geophysical attributes, 2) process model, describing the spatial and temporal variability of geochemical properties in the subsurface system, and 3) parameter model, describing prior distributions of various parameters and initial conditions. The unknown parameters are estimated using Markov chain Monte Carlo methods. By combining the temporally distributed geochemical data with the spatially distributed geophysical data, we obtain the spatio-temporal distribution of ferrous iron, sulfate and sulfide, and their associated uncertainity information. The obtained results can be used to assess the efficacy of the bioremediation treatment over space and time and to constrain reactive transport models.« less

  5. Development of Modeling Methods and Tools for Predicting Coupled Reactive Transport Processes in Porous Media at Multiple Scales

    SciTech Connect (OSTI)

    Clement, T Prabhakar; Barnett, Mark O; Zheng, Chunmiao; Jones, Norman L

    2010-05-05

    DE-FG02-06ER64213: Development of Modeling Methods and Tools for Predicting Coupled Reactive Transport Processes in Porous Media at Multiple Scales Investigators: T. Prabhakar Clement (PD/PI) and Mark O. Barnett (Auburn), Chunmiao Zheng (Univ. of Alabama), and Norman L. Jones (BYU). The objective of this project was to develop scalable modeling approaches for predicting the reactive transport of metal contaminants. We studied two contaminants, a radioactive cation [U(VI)] and a metal(loid) oxyanion system [As(III/V)], and investigated their interactions with two types of subsurface materials, iron and manganese oxyhydroxides. We also developed modeling methods for describing the experimental results. Overall, the project supported 25 researchers at three universities. Produced 15 journal articles, 3 book chapters, 6 PhD dissertations and 6 MS theses. Three key journal articles are: 1) Jeppu et al., A scalable surface complexation modeling framework for predicting arsenate adsorption on goethite-coated sands, Environ. Eng. Sci., 27(2): 147-158, 2010. 2) Loganathan et al., Scaling of adsorption reactions: U(VI) experiments and modeling, Applied Geochemistry, 24 (11), 2051-2060, 2009. 3) Phillippi, et al., Theoretical solid/solution ratio effects on adsorption and transport: uranium (VI) and carbonate, Soil Sci. Soci. of America, 71:329-335, 2007

  6. CO2 leakage impacts on shallow groundwater. Field-scale reactive-transport simulations informed by observations at a natural analog site

    DOE Public Access Gateway for Energy & Science Beta (PAGES Beta)

    Keating, Elizabeth H.; Hakala, J. Alexandra; Viswanathan, Hari; Carey, J. William; Pawar, Rajesh; Guthrie, George D.; Fessenden-Rahn, Julianna

    2013-03-01

    It is challenging to predict the degree to which shallow groundwater might be affected by leaks from a CO2 sequestration reservoir, particularly over long time scales and large spatial scales. In this study observations at a CO2 enriched shallow aquifer natural analog were used to develop a predictive model which is then used to simulate leakage scenarios. This natural analog provides the opportunity to make direct field observations of groundwater chemistry in the presence of elevated CO2, to collect aquifer samples and expose them to CO2 under controlled conditions in the laboratory, and to test the ability of multiphase reactivemore » transport models to reproduce measured geochemical trends at the field-scale. The field observations suggest that brackish water entrained with the upwelling CO2 are a more significant source of trace metals than in situ mobilization of metals due to exposure to CO2. The study focuses on a single trace metal of concern at this site: U. Experimental results indicate that cation exchange/adsorption and dissolution/precipitation of calcite containing trace amounts of U are important reactions controlling U in groundwater at this site, and that the amount of U associated with calcite is fairly well constrained. Simulations incorporating these results into a 3-D multi-phase reactive transport model are able to reproduce the measured ranges and trends between pH, pCO2, Ca, total C, U and Cl-at the field site. Although the true fluxes at the natural analog site are unknown, the cumulative CO2 flux inferred from these simulations are approximately equivalent to 37.8E-3 MT, approximately corresponding to a .001% leak rate for injection at a large (750 MW) power plant. The leakage scenario simulations suggest that if the leak only persists for a short time the volume of aquifer contaminated by CO2-induced mobilization of U will be relatively small, yet persistent over 100 a.« less

  7. Final Project Report: Release of aged contaminants from weathered sediments: Effects of sorbate speciation on scaling of reactive transport

    SciTech Connect (OSTI)

    Jon Chorover, University of Arizona; Peggy O'????Day, University of California, Merced; Karl Mueller, Penn State University; Wooyong Um, Pacific Northwest National Laboratory; Carl Steefel, Lawrence Berkeley National Laboratory

    2012-10-01

    Hanford sediments impacted by hyperalkaline high level radioactive waste have undergone incongruent silicate mineral weathering concurrent with contaminant uptake. In this project, we studied the impact of background pore water (BPW) on strontium, cesium and iodine desorption and transport in Hanford sediments that were experimentally weathered by contact with simulated hyperalkaline tank waste leachate (STWL) solutions. Using those lab-weathered Hanford sediments (HS) and model precipitates formed during nucleation from homogeneous STWL solutions (HN), we (i) provided detailed characterization of reaction products over a matrix of field-relevant gradients in contaminant concentration, PCO2, and reaction time; (ii) improved molecular-scale understanding of how sorbate speciation controls contaminant desorption from weathered sediments upon removal of caustic sources; and (iii) developed a mechanistic, predictive model of meso- to field-scale contaminant reactive transport under these conditions.

  8. BLT-EC (Breach, Leach and Transport-Equilibrium Chemistry) data input guide. A computer model for simulating release and coupled geochemical transport of contaminants from a subsurface disposal facility

    SciTech Connect (OSTI)

    MacKinnon, R.J.; Sullivan, T.M.; Kinsey, R.R.

    1997-05-01

    The BLT-EC computer code has been developed, implemented, and tested. BLT-EC is a two-dimensional finite element computer code capable of simulating the time-dependent release and reactive transport of aqueous phase species in a subsurface soil system. BLT-EC contains models to simulate the processes (container degradation, waste-form performance, transport, chemical reactions, and radioactive production and decay) most relevant to estimating the release and transport of contaminants from a subsurface disposal system. Water flow is provided through tabular input or auxiliary files. Container degradation considers localized failure due to pitting corrosion and general failure due to uniform surface degradation processes. Waste-form performance considers release to be limited by one of four mechanisms: rinse with partitioning, diffusion, uniform surface degradation, and solubility. Transport considers the processes of advection, dispersion, diffusion, chemical reaction, radioactive production and decay, and sources (waste form releases). Chemical reactions accounted for include complexation, sorption, dissolution-precipitation, oxidation-reduction, and ion exchange. Radioactive production and decay in the waste form is simulated. To improve the usefulness of BLT-EC, a pre-processor, ECIN, which assists in the creation of chemistry input files, and a post-processor, BLTPLOT, which provides a visual display of the data have been developed. BLT-EC also includes an extensive database of thermodynamic data that is also accessible to ECIN. This document reviews the models implemented in BLT-EC and serves as a guide to creating input files and applying BLT-EC.

  9. Building Conceptual Models of Field-Scale Uranium Reactive Transport in a Dynamic Vadose Zone-Aquifer-River System

    SciTech Connect (OSTI)

    Yabusaki, Steven B.; Fang, Yilin; Waichler, Scott R.

    2008-12-04

    Subsurface simulation is being used to build, test, and couple conceptual process models to better understand controls on a 0.4 km by 1.0 km uranium plume that has persisted above the drinking water standard in the groundwater of the Hanford 300 Area over the last 15 years. At this site, uranium-contaminated sediments in the vadose zone and aquifer are subject to significant variations in water levels and velocities driven by the diurnal, weekly, seasonal, and episodic Columbia River stage dynamics. Groundwater flow reversals typically occur twice a day with significant exchange of river water and groundwater in the near-river aquifer. Mixing of the dilute solution chemistry of the river with the groundwater complicates the uranium sorption behavior as the mobility of U(VI) has been shown experimentally to be a function of pH, carbonate, calcium, and uranium. Furthermore, uranium mass transfer between solid and aqueous phases has been observed to be rate-limited in the context of the high groundwater velocities resulting from the river stage fluctuations and the highly transmissive sediments (hydraulic conductivities ~1500 m/d). One- and two-dimensional vertical cross-sectional simulations of variably-saturated flow and reactive transport, based on laboratory-derived models of distributed rate mass transfer and equilibrium multicomponent surface complexation, are used to assess uranium transport at the dynamic vadose zone aquifer interface as well as changes to uranium mobility due to incursions of river water into the aquifer.

  10. Final Report Coupled In Silico Microbial and Geochemical Reactive Transport Models: Extension to Multi-Organism Communities, Upscaling, and Experimental Validation

    SciTech Connect (OSTI)

    Lovley, Derek R.

    2014-03-05

    The project was highly successful in improving the understanding of physiological and ecological factors controlling the growth and interaction of subsurface microorganisms and in developing better strategies for in silico modeling of the interactions of subsurface microorganisms with other species and their environment.

  11. A Many-Task Parallel Approach for Multiscale Simulations of Subsurface Flow and Reactive Transport

    SciTech Connect (OSTI)

    Scheibe, Timothy D.; Yang, Xiaofan; Schuchardt, Karen L.; Agarwal, Khushbu; Chase, Jared M.; Palmer, Bruce J.; Tartakovsky, Alexandre M.

    2014-12-16

    Continuum-scale models have long been used to study subsurface flow, transport, and reactions but lack the ability to resolve processes that are governed by pore-scale mixing. Recently, pore-scale models, which explicitly resolve individual pores and soil grains, have been developed to more accurately model pore-scale phenomena, particularly reaction processes that are controlled by local mixing. However, pore-scale models are prohibitively expensive for modeling application-scale domains. This motivates the use of a hybrid multiscale approach in which continuum- and pore-scale codes are coupled either hierarchically or concurrently within an overall simulation domain (time and space). This approach is naturally suited to an adaptive, loosely-coupled many-task methodology with three potential levels of concurrency. Each individual code (pore- and continuum-scale) can be implemented in parallel; multiple semi-independent instances of the pore-scale code are required at each time step providing a second level of concurrency; and Monte Carlo simulations of the overall system to represent uncertainty in material property distributions provide a third level of concurrency. We have developed a hybrid multiscale model of a mixing-controlled reaction in a porous medium wherein the reaction occurs only over a limited portion of the domain. Loose, minimally-invasive coupling of pre-existing parallel continuum- and pore-scale codes has been accomplished by an adaptive script-based workflow implemented in the Swift workflow system. We describe here the methods used to create the model system, adaptively control multiple coupled instances of pore- and continuum-scale simulations, and maximize the scalability of the overall system. We present results of numerical experiments conducted on NERSC supercomputing systems; our results demonstrate that loose many-task coupling provides a scalable solution for multiscale subsurface simulations with minimal overhead.

  12. Pore Scale Modeling of the Reactive Transport of Chromium in the Cathode of a Solid Oxide Fuel Cell

    SciTech Connect (OSTI)

    Ryan, Emily M.; Tartakovsky, Alexandre M.; Recknagle, Kurtis P.; Khaleel, Mohammad A.; Amon, Cristina

    2011-01-01

    We present a pore scale model of a solid oxide fuel cell (SOFC) cathode. Volatile chromium species are known to migrate from the current collector of the SOFC into the cathode where over time they decrease the voltage output of the fuel cell. A pore scale model is used to investigate the reactive transport of chromium species in the cathode and to study the driving forces of chromium poisoning. A multi-scale modeling approach is proposed which uses a cell level model of the cathode, air channel and current collector to determine the boundary conditions for a pore scale model of a section of the cathode. The pore scale model uses a discrete representation of the cathode to explicitly model the surface reactions of oxygen and chromium with a cathode material. The pore scale model is used to study the reaction mechanisms of chromium by considering the effects of reaction rates, diffusion coefficients, chromium vaporization, and oxygen consumption on chromiums deposition in the cathode. The study shows that chromium poisoning is most significantly affected by the chromium reaction rates in the cathode and that the reaction rates are a function of the local current density in the cathode.

  13. Model-Based Analysis of the Role of Biological, Hydrological and Geochemical Factors Affecting Uranium Bioremediation

    SciTech Connect (OSTI)

    Zhao, Jiao; Scheibe, Timothy D.; Mahadevan, Radhakrishnan

    2011-01-24

    Uranium contamination is a serious concern at several sites motivating the development of novel treatment strategies such as the Geobacter-mediated reductive immobilization of uranium. However, this bioremediation strategy has not yet been optimized for the sustained uranium removal. While several reactive-transport models have been developed to represent Geobacter-mediated bioremediation of uranium, these models often lack the detailed quantitative description of the microbial process (e.g., biomass build-up in both groundwater and sediments, electron transport system, etc.) and the interaction between biogeochemical and hydrological process. In this study, a novel multi-scale model was developed by integrating our recent model on electron capacitance of Geobacter (Zhao et al., 2010) with a comprehensive simulator of coupled fluid flow, hydrologic transport, heat transfer, and biogeochemical reactions. This mechanistic reactive-transport model accurately reproduces the experimental data for the bioremediation of uranium with acetate amendment. We subsequently performed global sensitivity analysis with the reactive-transport model in order to identify the main sources of prediction uncertainty caused by synergistic effects of biological, geochemical, and hydrological processes. The proposed approach successfully captured significant contributing factors across time and space, thereby improving the structure and parameterization of the comprehensive reactive-transport model. The global sensitivity analysis also provides a potentially useful tool to evaluate uranium bioremediation strategy. The simulations suggest that under difficult environments (e.g., highly contaminated with U(VI) at a high migration rate of solutes), the efficiency of uranium removal can be improved by adding Geobacter species to the contaminated site (bioaugmentation) in conjunction with the addition of electron donor (biostimulation). The simulations also highlight the interactive effect of initial cell concentration and flow rate on U(VI) reduction.

  14. Modeling of coupled heat transfer and reactive transport processesin porous media: Application to seepage studies at Yucca Mountain, Nevada

    SciTech Connect (OSTI)

    Mukhopadhyay, Sumit; Sonnenthal, Eric L.; Spycher, Nicolas

    2007-01-15

    When hot radioactive waste is placed in subsurface tunnels, a series of complex changes occurs in the surrounding medium. The water in the pore space of the medium undergoes vaporization and boiling. Subsequently, vapor migrates out of the matrix pore space, moving away from the tunnel through the permeable fracture network. This migration is propelled by buoyancy, by the increased vapor pressure caused by heating and boiling, and through local convection. In cooler regions, the vapor condenses on fracture walls, where it drains through the fracture network. Slow imbibition of water thereafter leads to gradual rewetting of the rock matrix. These thermal and hydrological processes also bring about chemical changes in the medium. Amorphous silica precipitates from boiling and evaporation, and calcite from heating and CO2 volatilization. The precipitation of amorphous silica, and to a much lesser extent calcite, results in long-term permeability reduction. Evaporative concentration also results in the precipitation of gypsum (or anhydrite), halite, fluorite and other salts. These evaporative minerals eventually redissolve after the boiling period is over, however, their precipitation results in a significant temporary decrease in permeability. Reduction of permeability is also associated with changes in fracture capillary characteristics. In short, the coupled thermal-hydrological-chemical (THC) processes dynamically alter the hydrological properties of the rock. A model based on the TOUGHREACT reactive transport software is presented here to investigate the impact of THC processes on flow near an emplacement tunnel at Yucca Mountain, Nevada. We show how transient changes in hydrological properties caused by THC processes often lead to local flow channeling and saturation increases above the tunnel. For models that include only permeability changes to fractures, such local flow channeling may lead to seepage relative to models where THC effects are ignored. However, coupled THC seepage models that include both permeability and capillary changes to fractures may not show this additional seepage.

  15. Geochemical Impacts of Carbon Dioxide, Brine, Trace Metal and Organic Leakage into an Unconfined, Oxidizing Limestone Aquifer

    DOE Public Access Gateway for Energy & Science Beta (PAGES Beta)

    Bacon, Diana H.; Dai, Zhenxue; Zheng, Liange

    2014-12-31

    An important risk at CO2 storage sites is the potential for groundwater quality impacts. As part of a system to assess the potential for these impacts a geochemical scaling function has been developed, based on a detailed reactive transport model of CO2 and brine leakage into an unconfined, oxidizing carbonate aquifer. Stochastic simulations varying a number of geochemical parameters were used to generate a response surface predicting the volume of aquifer that would be impacted with respect to regulated contaminants. The brine was assumed to contain several trace metals and organic contaminants. Aquifer pH and TDS were influenced by CO2more » leakage, while trace metal concentrations were most influenced by the brine concentrations rather than adsorption or desorption on calcite. Organic plume sizes were found to be strongly influenced by biodegradation.« less

  16. Reactive facies: An approach for parameterizing field-scale reactive

    Office of Scientific and Technical Information (OSTI)

    transport models using geophysical methods (Journal Article) | SciTech Connect Reactive facies: An approach for parameterizing field-scale reactive transport models using geophysical methods Citation Details In-Document Search Title: Reactive facies: An approach for parameterizing field-scale reactive transport models using geophysical methods Authors: Sassen, D. ; Hubbard, S. S. ; Bea, S. ; Spycher, N. ; Chen, J. ; Spycher, N. ; Denham, M. Publication Date: 2012-05-01 OSTI Identifier:

  17. Geochemical Reaction Mechanism Discovery from Molecular Simulation

    DOE Public Access Gateway for Energy & Science Beta (PAGES Beta)

    Stack, Andrew G.; Kent, Paul R. C.

    2014-11-10

    Methods to explore reactions using computer simulation are becoming increasingly quantitative, versatile, and robust. In this review, a rationale for how molecular simulation can help build better geochemical kinetics models is first given. We summarize some common methods that geochemists use to simulate reaction mechanisms, specifically classical molecular dynamics and quantum chemical methods and discuss their strengths and weaknesses. Useful tools such as umbrella sampling and metadynamics that enable one to explore reactions are discussed. Several case studies wherein geochemists have used these tools to understand reaction mechanisms are presented, including water exchange and sorption on aqueous species and mineralmore » surfaces, surface charging, crystal growth and dissolution, and electron transfer. The impact that molecular simulation has had on our understanding of geochemical reactivity are highlighted in each case. In the future, it is anticipated that molecular simulation of geochemical reaction mechanisms will become more commonplace as a tool to validate and interpret experimental data, and provide a check on the plausibility of geochemical kinetic models.« less

  18. Pore-scale simulation of coupled reactive transport and dissolution in fractures and porous media using the level set interface tracking method

    SciTech Connect (OSTI)

    Hai Huang; Xiaoyi Li

    2011-01-01

    A level set simulation methodology developed for modeling coupled reactive transport and structure evolution has been applied to dissolution in fracture apertures and porous media. The coupled processes such as fluid flow, reactant transport and dissolution at the solid-liquid interfaces are handled simultaneously. The reaction-induced evolution of solid-liquid interfaces is captured using the level set method, with the advantage of representing the interface with sub-grid scale resolution. The coupled processes are simulated for several geometric models of fractures and porous media under various flow conditions and reaction rates. Quantitative relationships between permeability and porosity are obtained from some of the simulation results and compared with analytical constitutive relations (i.e., the conventional cubic law and the Carman-Kozeny law) based on simplified pore space geometries and reaction induced geometric evolutions. The drastic deviation of the simulation results from these analytical theories is explained by the development of large local concentration gradients of reactants within fracture apertures and individual pores observed in the simulation results and consequently the complex geometric evolution patterns of fracture apertures and pores due to mineral dissolution. The simulation results support the argument that traditional constitutive relations based on simplified geometries and conditions have limited applicability in predicting field scale reactive transport and that incorporation of micro-scale physics is necessary.

  19. Center for Nanophase Materials Sciences (CNMS) - TRES: Transport,

    Broader source: All U.S. Department of Energy (DOE) Office Webpages (Extended Search)

    Reactivity and Electronic Structure TRES: Transport, Reactivity and Electronic Structure

  20. Geochemical Enhancement Of Enhanced Geothermal System Reservoirs: An Integrated Field And Geochemical Approach

    SciTech Connect (OSTI)

    Joseph N. Moore

    2007-12-31

    The geochemical effects of injecting fluids into geothermal reservoirs are poorly understood and may be significantly underestimated. Decreased performance of injection wells has been observed in several geothermal fields after only a few years of service, but the reasons for these declines has not been established. This study had three primary objectives: 1) determine the cause(s) of the loss of injectivity; 2) utilize these observations to constrain numerical models of water-rock interactions; and 3) develop injection strategies for mitigating and reversing the potential effects of these interactions. In this study rock samples from original and redrilled injection wells at Coso and the Salton Sea geothermal fields, CA, were used to characterize the mineral and geochemical changes that occurred as a result of injection. The study documented the presence of mineral scales and at both fields in the reservoir rocks adjacent to the injection wells. At the Salton Sea, the scales consist of alternating layers of fluorite and barite, accompanied by minor anhydrite, amorphous silica and copper arsenic sulfides. Amorphous silica and traces of calcite were deposited at Coso. The formation of silica scale at Coso provides an example of the effects of untreated (unacidified) injectate on the reservoir rocks. Scanning electron microscopy and X-ray diffractometry were used to characterize the scale deposits. The silica scale in the reservoir rocks at Coso was initially deposited as spheres of opal-A 1-2 micrometers in diameter. As the deposits matured, the spheres coalesced to form larger spheres up to 10 micrometer in diameter. Further maturation and infilling of the spaces between spheres resulted in the formation of plates and sheets that substantially reduce the original porosity and permeability of the fractures. Peripheral to the silica deposits, fluid inclusions with high water/gas ratios provide a subtle record of interactions between the injectate and reservoir rocks. In contrast, fluid inclusions trapped prior to injection are relatively gas rich. These results suggest that the rocks undergo extensive microfracturing during injection and that the composition of the fluid inclusions will be biased toward the youngest event. Interactions between the reservoir rocks and injectate were modeled using the non-isothermal reactive geochemical transport code TOUGHREACT. Changes in fluid pH, fracture porosity, fracture permeability, fluid temperature, and mineral abundances were monitored. The simulations predict that amorphous silica will precipitate primarily within a few meters of the injection well and that mineral deposition will lead to rapid declines in fracture porosity and permeability, consistent with field observations. In support of Enhanced Geothermal System development, petrologic studies of Coso well 46A-19RD were conducted to determine the regions that are most likely to fail when stimulated. These studies indicate that the most intensely brecciated and altered rocks in the zone targeted for stimulation (below 10,000 ft (3048 m)) occur between 11,200 and 11,350 ft (3414 and 3459 m). This zone is interpreted as a shear zone that initially juxtaposed quartz diorite against granodiorite. Strong pervasive alteration and veining within the brecciated quartz diorite and granodiorite suggest this shear zone was permeable in the past. This zone of weakness was subsequently exploited by a granophyre dike whose top occurs at 11,350 ft (3459 m). The dike is unaltered. We anticipate, based on analysis of the well samples that failure during stimulation will most likely occur on this shear zone.

  1. Comparison of parameter sensitivities between a laboratory and field scale model of uranium transport in a dual domain, distributed-rate reactive system

    SciTech Connect (OSTI)

    Greskowiak, Janek; Prommer, Henning; Liu, Chongxuan; Post, Vincent; Ma, Rui; Zheng, Chunmiao; Zachara, John M.

    2010-09-16

    A laboratory-derived conceptual and numerical model for U(VI) transport at the Hanford 300A site, Washington, USA, was applied to a range of field-scale scenarios of different complexity to systematically evaluate model parameter sensitivities. The model, originally developed from column experiment data, included distributed-rate surface complexation kinetics of U(VI), aqueous speciation, and physical non-equilibrium transport processes. A rigorous parameter sensitivity analysis was carried out with respect to different state variables: concentrations, mass fluxes, total mass and spatial moments of dissolved U(VI) for laboratory systems, and various simulation scenarios that represented the field-scale characteristics at the Hanford 300A site. The field-scenarios accounted for transient groundwater flow and variable geochemical conditions driven by frequent water level changes of the nearby Columbia River. Simulations indicated that the transient conditions significantly affected U(VI) plume migration at the site. The parameter sensitivities were largely similar between the laboratory and field scale systems. Where differences existed, they were shown to result from differing degrees of U(VI) adsorption disequilibrium caused by hydraulic or hydrogeochemical conditions. Adorption disequilibrium was found to differ (i) between short duration peak flow events at the field scale and much longer flow events in the laboratory, (ii) for changing groundwater chemical compositions due to river water intrusion, and (iii) for different sampling locations at the field scale. Parameter sensitivities were also found to vary with respect to the different investigated state variables. An approach is demonstrated that elucidates the most important parameters of a laboratory-scale model that must constrained in both the laboratory and field for meaningful field application.

  2. Solid phase evolution in the Biosphere 2 hillslope experiment as predicted by modeling of hydrologic and geochemical fluxes

    SciTech Connect (OSTI)

    Dontsova, K.; Steefel, C.I.; Desilets, S.; Thompson, A.; Chorover, J.

    2009-07-15

    A reactive transport geochemical modeling study was conducted to help predict the mineral transformations occurring over a ten year time-scale that are expected to impact soil hydraulic properties in the Biosphere 2 (B2) synthetic hillslope experiment. The modeling sought to predict the rate and extent of weathering of a granular basalt (selected for hillslope construction) as a function of climatic drivers, and to assess the feedback effects of such weathering processes on the hydraulic properties of the hillslope. Flow vectors were imported from HYDRUS into a reactive transport code, CrunchFlow2007, which was then used to model mineral weathering coupled to reactive solute transport. Associated particle size evolution was translated into changes in saturated hydraulic conductivity using Rosetta software. We found that flow characteristics, including velocity and saturation, strongly influenced the predicted extent of incongruent mineral weathering and neo-phase precipitation on the hillslope. Results were also highly sensitive to specific surface areas of the soil media, consistent with surface reaction controls on dissolution. Effects of fluid flow on weathering resulted in significant differences in the prediction of soil particle size distributions, which should feedback to alter hillslope hydraulic conductivities.

  3. Aging and the geochemical environment

    SciTech Connect (OSTI)

    Not Available

    1981-01-01

    This report describes and assesses the aging process and related environmental aspects that may provide useful insights toward postponing some of the inevitable effects of aging. Although the Panel on Aging and the Geochemical Environment is convinced that the geochemical environment is associated with aging, it of course recognizes that other factors may also be significant or, perhaps, more important. Accordingly, the report is intended to enhance the awareness of biomedical and geochemical research scientists, decision makers in related areas, and the lay public interested in an understanding of the relation of the geochemical environment to senescence.

  4. Scaling Effects of Cr(VI) Reduction Kinetics. The Role of Geochemical Heterogeneity

    SciTech Connect (OSTI)

    Wang, Li; Li, Li

    2015-10-22

    The natural subsurface is highly heterogeneous with minerals distributed in different spatial patterns. Fundamental understanding of how mineral spatial distribution patterns regulate sorption process is important for predicting the transport and fate of chemicals. Existing studies about the sorption was carried out in well-mixed batch reactors or uniformly packed columns, with few data available on the effects of spatial heterogeneities. As a result, there is a lack of data and understanding on how spatial heterogeneities control sorption processes. In this project, we aim to understand and develop modeling capabilities to predict the sorption of Cr(VI), an omnipresent contaminant in natural systems due to its natural occurrence and industrial utilization. We systematically examine the role of spatial patterns of illite, a common clay, in determining the extent of transport limitation and scaling effects associated with Cr(VI) sorption capacity and kinetics using column experiments and reactive transport modeling. Our results showed that the sorbed mass and rates can differ by an order of magnitude due to of the illite spatial heterogeneities and transport limitation. With constraints from data, we also developed the capabilities of modeling Cr(VI) in heterogeneous media. The developed model is then utilized to understand the general principles that govern the relationship between sorption and connectivity, a key measure of the spatial pattern characteristics. This correlation can be used to estimate Cr(VI) sorption characteristics in heterogeneous porous media. Insights gained here bridge gaps between laboratory and field application in hydrogeology and geochemical field, and advance predictive understanding of reactive transport processes in the natural heterogeneous subsurface. We believe that these findings will be of interest to a large number of environmental geochemists and engineers, hydrogeologists, and those interested in contaminant fate and transport, water quality and water composition, and natural attenuation processes in natural systems.

  5. Geochemical Speciation Mass Transfer

    Energy Science and Technology Software Center (OSTI)

    1985-12-01

    PHREEQC is designed to model geochemical reactions. Based on an ion association aqueous model, PHREEQC can calculate pH, redox potential, and mass transfer as a function of reaction progress. It can be used to describe geochemical processes for both far-field and near-field performance assessment and to evaluate data acquisition needs and test data. It can also calculate the composition of solutions in equilibrium with multiple phases. The data base, including elements, aqueous species, and mineralmore » phases, is independent of the program and is completely user-definable. PHREEQC requires thermodynamic data for each solid, gaseous, or dissolved chemical species being modeled. The two data bases, PREPHR and DEQPAK7, supplied with PHREEQC are for testing purposes only and should not be applied to real problems without first being carefully examined. The conceptual model embodied in PHREEQC is the ion-association model of Pearson and Noronha. In this model a set of mass action equations are established for each ion pair (and controlling solid phases when making mass transfer calculations) along with a set of mass balance equations for each element considered. These sets of equations are coupled using activity coefficient values for each aqueous species and solved using a continued fraction approach for the mass balances combined with a modified Newton-Raphson technique for all other equations. The activity coefficient expressions in PHREEQC include the extended Debye-Huckel, WATEQ Debye-Huckel, and Davies equations from the original United States Geological Survey version of the program. The auxiliary preprocessor program PHTL, which is derived from EQTL, converts EQ3/6 thermodynamic data to PHREEQC format so that the two programs can be compared. PHREEQC can be used to determine solubility limits on the radionuclides present in the waste form. These solubility constraints may be input to the WAPPA leach model.« less

  6. Geochemical and Isotopic Interpretations of Groundwater Flow in the Oasis Valley Flow System, Southern Nevada

    SciTech Connect (OSTI)

    J.M. Thomas; F.C. Benedict, Jr.; T.P. Rose; R.L. Hershey; J.B. Paces; Z.E. Peterman; I.M. Farnham; K.H. Johannesson; A.K. Singh; K.J. Stetzenbach; G.B. Hudson; J.M. Kenneally; G.F. Eaton; D.K. Smith

    2003-01-08

    This report summarizes the findings of a geochemical investigation of the Pahute Mesa-Oasis Valley groundwater flow system in southwestern Nevada. It is intended to provide geochemical data and interpretations in support of flow and contaminant transport modeling for the Western and Central Pahute Mesa Corrective Action Units.

  7. Category:Geochemical Techniques | Open Energy Information

    Open Energy Info (EERE)

    Techniques Technique Subcategories This category has only the following subcategory. G + Geochemical Data Analysis (2 categories) 4 pages Pages in category "Geochemical...

  8. Optimizing parameters for predicting the geochemical behavior...

    Office of Energy Efficiency and Renewable Energy (EERE) Indexed Site

    the geochemical behavior and performance of discrete fracture networks in geothermal systems Optimizing parameters for predicting the geochemical behavior and performance of ...

  9. Upscaling of Long-Term U9VI) Desorption from Pore Scale Kinetics to Field-Scale Reactive Transport Models

    SciTech Connect (OSTI)

    Andy Miller

    2009-01-25

    Environmental systems exhibit a range of complexities which exist at a range of length and mass scales. Within the realm of radionuclide fate and transport, much work has been focused on understanding pore scale processes where complexity can be reduced to a simplified system. In describing larger scale behavior, the results from these simplified systems must be combined to create a theory of the whole. This process can be quite complex, and lead to models which lack transparency. The underlying assumption of this approach is that complex systems will exhibit complex behavior, requiring a complex system of equations to describe behavior. This assumption has never been tested. The goal of the experiments presented is to ask the question: Do increasingly complex systems show increasingly complex behavior? Three experimental tanks at the intermediate scale (Tank 1: 2.4m x 1.2m x 7.6cm, Tank 2: 2.4m x 0.61m x 7.6cm, Tank 3: 2.4m x 0.61m x 0.61m (LxHxW)) have been completed. These tanks were packed with various physical orientations of different particle sizes of a uranium contaminated sediment from a former uranium mill near Naturita, Colorado. Steady state water flow was induced across the tanks using constant head boundaries. Pore water was removed from within the flow domain through sampling ports/wells; effluent samples were also taken. Each sample was analyzed for a variety of analytes relating to the solubility and transport of uranium. Flow fields were characterized using inert tracers and direct measurements of pressure head. The results show that although there is a wide range of chemical variability within the flow domain of the tank, the effluent uranium behavior is simple enough to be described using a variety of conceptual models. Thus, although there is a wide range in variability caused by pore scale behaviors, these behaviors appear to be smoothed out as uranium is transported through the tank. This smoothing of uranium transport behavior transcends many of the physical and chemical heterogeneities added to the tank experiments.

  10. Reaction-Based Reactive Transport Modeling of Iron Reduction and Uranium Immobilization at Area 2 of the NABIR Field Research Center

    SciTech Connect (OSTI)

    Burgos, W.D.

    2009-09-02

    This report summarizes research conducted in conjunction with a project entitled “Reaction-Based Reactive Transport Modeling of Iron Reduction and Uranium Immobilization at Area 2 of the NABIR Field Research Center”, which was funded through the Integrative Studies Element of the former NABIR Program (now the Environmental Remediation Sciences Program) within the Office of Biological and Environmental Research. Dr. William Burgos (The Pennsylvania State University) was the overall PI/PD for the project, which included Brian Dempsey (Penn State), Gour-Tsyh (George) Yeh (Central Florida University), and Eric Roden (formerly at The University of Alabama, now at the University of Wisconsin) as separately-funded co-PIs. The project focused on development of a mechanistic understanding and quantitative models of coupled Fe(III)/U(VI) reduction in FRC Area 2 sediments. The work builds on our previous studies of microbial Fe(III) and U(VI) reduction, and was directly aligned with the Scheibe et al. ORNL FRC Field Project at Area 2.

  11. Actualistic and Geochemical Modeling of Reservoir Rock, CO2 and Formation Fluid Interaction, Citronelle Oil Field, Alabama

    SciTech Connect (OSTI)

    Weislogel, Amy

    2014-01-31

    This report includes description of the Citronelle field study area and the work carried out in the project to characterize the geology and composition of reservoir rock material and to collect an analyze the geochemical composition of produced fluid waters from the Citronelle field. Reservoir rock samples collected from well bore core were made into thin-sections and assessed for textural properties, including pore types and porosity distribution. Compositional framework grain modal data were collected via point-counting, and grain and cement mineralogy was assessed using SEM-EDS. Geochemistry of fluid samples is described and modeled using PHREEQC. Composition of rock and produced fluids were used as inputs for TOUGHREACT reactive transport modeling, which determined the rock-fluid system was in disequilibrium.

  12. transportation

    National Nuclear Security Administration (NNSA)

    security missions undertaken by the U.S. government.

    Pantex Plant's Calvin Nelson honored as Analyst of the Year for Transportation Security http:nnsa.energy.gov...

  13. System-Scale Model of Aquifer, Vadose Zone, and River Interactions for the Hanford 300 Area - Application to Uranium Reactive Transport

    SciTech Connect (OSTI)

    Rockhold, Mark L.; Bacon, Diana H.; Freedman, Vicky L.; Parker, Kyle R.; Waichler, Scott R.; Williams, Mark D.

    2013-10-01

    This report represents a synthesis and integration of basic and applied research into a system-scale model of the Hanford 300 Area groundwater uranium plume, supported by the U.S. Department of Energys Richland Operations (DOE-RL) office. The report integrates research findings and data from DOE Office of Science (DOE-SC), Office of Environmental Management (DOE-EM), and DOE-RL projects, and from the site remediation and closure contractor, Washington Closure Hanford, LLC (WCH). The three-dimensional, system-scale model addresses water flow and reactive transport of uranium for the coupled vadose zone, unconfined aquifer, and Columbia River shoreline of the Hanford 300 Area. The system-scale model of the 300 Area was developed to be a decision-support tool to evaluate processes of the total system affecting the groundwater uranium plume. The model can also be used to address what if questions regarding different remediation endpoints, and to assist in design and evaluation of field remediation efforts. For example, the proposed cleanup plan for the Hanford 300 Area includes removal, treatment, and disposal of contaminated sediments from known waste sites, enhanced attenuation of uranium hot spots in the vadose and periodically rewetted zone, and continued monitoring of groundwater with institutional controls. Illustrative simulations of polyphosphate infiltration were performed to demonstrate the ability of the system-scale model to address these types of questions. The use of this model in conjunction with continued field monitoring is expected to provide a rigorous basis for developing operational strategies for field remediation and for defining defensible remediation endpoints.

  14. Aging and the geochemical environment

    SciTech Connect (OSTI)

    Not Available

    1981-01-01

    The report describes and assesses the aging process and related environmental aspects. Specific geographic areas of increased and decreased longevity were identified and geochemically characterized in terms of surface rocks, drinking water quality, soils, and abnormal absorption of trace elements by plants. Environmental factors that may be related to increased longevity are discussed. 11 references, 32 figures, 8 tables. (ACR)

  15. Interfacial Structure and Reactivity | Argonne National Laboratory

    Broader source: All U.S. Department of Energy (DOE) Office Webpages (Extended Search)

    a robust, molecular-scale understanding of its structure and reactivity? Research Context The transport of ions across the electrodeelectrolyte interface can lead to kinetic...

  16. Mineral dissolution and precipitation during CO2 injection at the Frio-I Brine Pilot: Geochemical modeling and uncertainty analysis

    DOE Public Access Gateway for Energy & Science Beta (PAGES Beta)

    Ilgen, A. G.; Cygan, R. T.

    2015-12-07

    During the Frio-I Brine Pilot CO2 injection experiment in 2004, distinct geochemical changes in response to the injection of 1600 tons of CO2 were recorded in samples collected from the monitoring well. Previous geochemical modeling studies have considered dissolution of calcite and iron oxyhydroxides, or release of adsorbed iron, as the most likely sources of the increased ion concentrations. We explore in this modeling study possible alternative sources of the increasing calcium and iron, based on the data from the detailed petrographic characterization of the Upper Frio Formation “C”. Particularly, we evaluate whether dissolution of pyrite and oligoclase (anorthitemore » component) can account for the observed geochemical changes. Due to kinetic limitations, dissolution of pyrite and anorthite cannot account for the increased iron and calcium concentrations on the time scale of the field test (10 days). However, dissolution of these minerals is contributing to carbonate and clay mineral precipitation on the longer time scales (1000 years). The one-dimensional reactive transport model predicts carbonate minerals, dolomite and ankerite, as well as clay minerals kaolinite, nontronite and montmorillonite, will precipitate in the Frio Formation “C” sandstone as the system progresses towards chemical equilibrium during a 1000-year period. Cumulative uncertainties associated with using different thermodynamic databases, activity correction models (Pitzer vs. B-dot), and extrapolating to reservoir temperature, are manifested in the difference in the predicted mineral phases. Furthermore, these models are consistent with regards to the total volume of mineral precipitation and porosity values which are predicted to within 0.002%.« less

  17. Coupling a Reactive Transport Code with a Global Land Surface Model for Mechanistic Biogeochemistry Representation: 1. Addressing the Challenge of Nonnegativity

    DOE Public Access Gateway for Energy & Science Beta (PAGES Beta)

    Tang, Guoping; Yuan, Fengming; Bisht, Gautam; Hammond, Glenn E.; Lichtner, Peter C.; Collier, Nathaniel O; Kumar, Jitendra; Mills, Richard T; Xu, Xiaofeng; Andre, Ben; et al

    2016-01-01

    Reactive transport codes (e.g., PFLOTRAN) are increasingly used to improve the representation of biogeochemical processes in terrestrial ecosystem models (e.g., the Community Land Model, CLM). As CLM and PFLOTRAN use explicit and implicit time stepping, implementation of CLM biogeochemical reactions in PFLOTRAN can result in negative concentration, which is not physical and can cause numerical instability and errors. The objective of this work is to address the nonnegativity challenge to obtain accurate, efficient, and robust solutions. We illustrate the implementation of a reaction network with the CLM-CN decomposition, nitrification, denitrification, and plant nitrogen uptake reactions and test the implementation atmore » arctic, temperate, and tropical sites. We examine use of scaling back the update during each iteration (SU), log transformation (LT), and downregulating the reaction rate to account for reactant availability limitation to enforce nonnegativity. Both SU and LT guarantee nonnegativity but with implications. When a very small scaling factor occurs due to either consumption or numerical overshoot, and the iterations are deemed converged because of too small an update, SU can introduce excessive numerical error. LT involves multiplication of the Jacobian matrix by the concentration vector, which increases the condition number, decreases the time step size, and increases the computational cost. Neither SU nor SE prevents zero concentration. When the concentration is close to machine precision or 0, a small positive update stops all reactions for SU, and LT can fail due to a singular Jacobian matrix. The consumption rate has to be downregulated such that the solution to the mathematical representation is positive. A first-order rate downregulates consumption and is nonnegative, and adding a residual concentration makes it positive. For zero-order rate or when the reaction rate is not a function of a reactant, representing the availability limitation of each reactant with a Monod substrate limiting function provides a smooth transition between a zero-order rate when the reactant is abundant and first-order rate when the reactant becomes limiting. When the half saturation is small, marching through the transition may require small time step sizes to resolve the sharp change within a small range of concentration values. Our results from simple tests and CLM-PFLOTRAN simulations caution against use of SU and indicate that accurate, stable, and relatively efficient solutions can be achieved with LT and downregulation with Monod substrate limiting function and residual concentration.« less

  18. WIPP Documents - Transportation

    Broader source: All U.S. Department of Energy (DOE) Office Webpages (Extended Search)

    Transportation

  19. Interface Induced Carbonate Mineralization: A Fundamental Geochemical

    Office of Scientific and Technical Information (OSTI)

    Process Relevant to Carbon Sequestration (Technical Report) | SciTech Connect Interface Induced Carbonate Mineralization: A Fundamental Geochemical Process Relevant to Carbon Sequestration Citation Details In-Document Search Title: Interface Induced Carbonate Mineralization: A Fundamental Geochemical Process Relevant to Carbon Sequestration We have approached the long-standing geochemical question why anhydrous high-Mg carbonate minerals (i.e., magnesite and dolomite) cannot be formed at

  20. Geochemical Data Analysis | Open Energy Information

    Open Energy Info (EERE)

    Information Provided by Technique Lithology: StratigraphicStructural: Hydrological: Thermal: Dictionary.png Geochemical Data Analysis: No definition has been provided for...

  1. Interface Induced Carbonate Mineralization: A Fundamental Geochemical

    Office of Scientific and Technical Information (OSTI)

    Interface Induced Carbonate Mineralization: A Fundamental Geochemical Process Relevant to Carbon Sequestration Teng, H. Henry PI, The George Washington University PI, The George...

  2. Geochemical engineering design tools for uranium in situ recovery : the HYDROGEOCHEM codes.

    SciTech Connect (OSTI)

    Siegel, Malcolm Dean; Li, Ming-Hsu; Yeh, Gour-Tsyh

    2010-11-01

    Geochemical Engineering Design (GED) is based on applications of the principles and various computer models that describe the biogeochemistry and physics of removal of contaminants from water by adsorption, precipitation and filtration. It can be used to optimize or evaluate the efficiency of all phases of in situ recovery (ISR). The primary tools of GED are reactive transport models; this talk describes the potential application of the HYDROGEOCHEM family of codes to ISR. The codes can describe a complete suite of equilibrium or kinetic aqueous complexation, adsorption-desorption, precipitation-dissolution, redox, and acid-base reactions in variably saturated media with density-dependent fluid flow. Applications to ISR are illustrated with simulations of (1) the effectiveness of a reactive barrier to prevent off-site uranium migration and (2) evaluation of the effect of sorption hysteresis on natural attenuation. In the first example, it can be seen that the apparent effectiveness of the barrier depends on monitoring location and that it changes over time. This is due to changes in pH, saturation of sorption sites, as well as the geometry of the flow field. The second simulation shows how sorption hysteresis leads to observable attenuation of a uranium contamination plume. Different sorption mechanisms including fast (or reversible), slow, and irreversible sorption were simulated. The migration of the dissolved and total uranium plumes for the different cases are compared and the simulations show that when 50-100% of the sites have slow desorption rates, the center of mass of the dissolved uranium plume begins to move upstream. This would correspond to the case in which the plume boundaries begin to shrink as required for demonstration of natural attenuation.

  3. Interface Induced Carbonate Mineralization: A Fundamental Geochemical

    Office of Scientific and Technical Information (OSTI)

    Process Relevant to Carbon Sequestration (Technical Report) | SciTech Connect Interface Induced Carbonate Mineralization: A Fundamental Geochemical Process Relevant to Carbon Sequestration Citation Details In-Document Search Title: Interface Induced Carbonate Mineralization: A Fundamental Geochemical Process Relevant to Carbon Sequestration Mica, biotite, muscovite, diopside, tremolite, ultramafic rock, hematite, Ca-Mg-carbonate, calcite, aragonite, dolomite, crystal nucleation,

  4. Application Of Geochemical Methods In The Search For Geothermal...

    Open Energy Info (EERE)

    Geochemical Methods In The Search For Geothermal Fields Jump to: navigation, search OpenEI Reference LibraryAdd to library Journal Article: Application Of Geochemical Methods In...

  5. Book Review - Geochemical Exploration 1982 | Open Energy Information

    Open Energy Info (EERE)

    Book Review - Geochemical Exploration 1982 Jump to: navigation, search OpenEI Reference LibraryAdd to library Book Review: Book Review - Geochemical Exploration 1982 Author R. A....

  6. Mineral dissolution and precipitation during CO2 injection at the Frio-I Brine Pilot: Geochemical modeling and uncertainty analysis

    SciTech Connect (OSTI)

    Ilgen, A. G.; Cygan, R. T.

    2015-12-07

    During the Frio-I Brine Pilot CO2 injection experiment in 2004, distinct geochemical changes in response to the injection of 1600 tons of CO2 were recorded in samples collected from the monitoring well. Previous geochemical modeling studies have considered dissolution of calcite and iron oxyhydroxides, or release of adsorbed iron, as the most likely sources of the increased ion concentrations. We explore in this modeling study possible alternative sources of the increasing calcium and iron, based on the data from the detailed petrographic characterization of the Upper Frio Formation C. Particularly, we evaluate whether dissolution of pyrite and oligoclase (anorthite component) can account for the observed geochemical changes. Due to kinetic limitations, dissolution of pyrite and anorthite cannot account for the increased iron and calcium concentrations on the time scale of the field test (10 days). However, dissolution of these minerals is contributing to carbonate and clay mineral precipitation on the longer time scales (1000 years). The one-dimensional reactive transport model predicts carbonate minerals, dolomite and ankerite, as well as clay minerals kaolinite, nontronite and montmorillonite, will precipitate in the Frio Formation C sandstone as the system progresses towards chemical equilibrium during a 1000-year period. Cumulative uncertainties associated with using different thermodynamic databases, activity correction models (Pitzer vs. B-dot), and extrapolating to reservoir temperature, are manifested in the difference in the predicted mineral phases. Furthermore, these models are consistent with regards to the total volume of mineral precipitation and porosity values which are predicted to within 0.002%.

  7. Geochemical Modeling Of Aqueous Systems

    Energy Science and Technology Software Center (OSTI)

    1995-09-07

    EQ3/6 is a software package for geochemical modeling of aqueous systems. This description pertains to version 7.2b. It addresses aqueous speciation, thermodynamic equilibrium, disequilibrium, and chemical kinetics. The major components of the package are EQ3NR, a speciation-solubility code, and EQ6 a reaction path code. EQ3NR is useful for analyzing groundwater chemistry data, calculating solubility limits, and determining whether certain reactions are in states of equilibrium or disequilibrium. It also initializes EQ6 calculations. EQ6 models themore » consequences of reacting an aqueous solution with a specified set of reactants (e.g., minerals or waste forms). It can also model fluid mixing and the effects of changes in temperature. Each of five supporting data files contain both standard state and activity coefficient-related data. Three support the use of the Davies or B-dot equations for the activity coefficients; the other two support the use of Pitzer''s equations. The temperature range of the thermodynamic data on the data files varies from 25 degrees C only to 0-300 degrees C.« less

  8. Geothermal/Geochemical Database | Open Energy Information

    Open Energy Info (EERE)

    to library Chart: GeothermalGeochemical DatabaseInfo GraphicMapChart Author Nevada Bureau of Mines and Geology Published Nevada Bureau of Mines and Geology, 2012 DOI Not...

  9. PFLOTRAN User Manual: A Massively Parallel Reactive Flow and...

    Office of Scientific and Technical Information (OSTI)

    Technical Report: PFLOTRAN User Manual: A Massively Parallel Reactive Flow and Transport Model for Describing Surface and Subsurface Processes Citation Details In-Document Search...

  10. PFLOTRAN User Manual: A Massively Parallel Reactive Flow and...

    Office of Scientific and Technical Information (OSTI)

    PFLOTRAN User Manual: A Massively Parallel Reactive Flow and Transport Model for Describing Surface and Subsurface Processes Lichtner, Peter OFM Research; Karra, Satish Los...

  11. Evaluation of Groundwater Movement in the Frenchman Flat CAU Using Geochemical and Isotopic Analysis

    SciTech Connect (OSTI)

    R. Hershey; J. Thomas; T. Rose; J. Paces; I. Farnham; C. Benedict, Jr.

    2005-03-01

    The principal pathway for radionuclide migration from underground tests in Frenchman Flat, on the Nevada Test Site, to the accessible environment is groundwater flow. Two potential pathways for radionuclide transport via groundwater have been identified from hydrologic data: (1) radionuclide transport downward from the alluvial and volcanic aquifers into the underlying carbonate aquifer; and (2) radionuclide transport laterally to the carbonate aquifer surrounding Frenchman Flat. This report presents an evaluation of geochemical and environmental isotopic data to test these potential pathways and to identify other groundwater flowpaths in, and out of, Frenchman Flat.

  12. Analysis and Geochemical Modeling of Vanadium Contamination in Groundwater

    Office of Energy Efficiency and Renewable Energy (EERE) Indexed Site

    New Rifle Processing Site, Colorado | Department of Energy and Geochemical Modeling of Vanadium Contamination in Groundwater New Rifle Processing Site, Colorado Analysis and Geochemical Modeling of Vanadium Contamination in Groundwater New Rifle Processing Site, Colorado Analysis and Geochemical Modeling of Vanadium Contamination in Groundwater New Rifle Processing Site, Colorado PDF icon Analysis and Geochemical Modeling of Vanadium Contamination in Groundwater New Rifle Processing Site,

  13. Optimizing parameters for predicting the geochemical behavior and

    Office of Energy Efficiency and Renewable Energy (EERE) Indexed Site

    performance of discrete fracture networks in geothermal systems | Department of Energy Optimizing parameters for predicting the geochemical behavior and performance of discrete fracture networks in geothermal systems Optimizing parameters for predicting the geochemical behavior and performance of discrete fracture networks in geothermal systems Optimizing parameters for predicting the geochemical behavior and performance of discrete fracture networks in geothermal systems presentation at the

  14. Elucidating geochemical response of shallow heterogeneous aquifers to CO2 leakage using high-performance computing: Implications for monitoring of CO2 sequestration

    SciTech Connect (OSTI)

    Navarre-Sitchler, Alexis K.; Maxwell, Reed M.; Siirila, Erica R.; Hammond, Glenn E.; Lichtner, Peter C.

    2013-03-01

    Predicting and quantifying impacts of potential carbon dioxide (CO2) leakage into shallow aquifers that overlie geologic CO2 storage formations is an important part of developing reliable carbon storage techniques. Leakage of CO2 through fractures, faults or faulty wellbores can reduce groundwater pH, inducing geochemical reactions that release solutes into the groundwater and pose a risk of degrading groundwater quality. In order to help quantify this risk, predictions of metal concentrations are needed during geologic storage of CO2. Here, we present regional-scale reactive transport simulations, at relatively fine-scale, of CO2 leakage into shallow aquifers run on the PFLOTRAN platform using high-performance computing. Multiple realizations of heterogeneous permeability distributions were generated using standard geostatistical methods. Increased statistical anisotropy of the permeability field resulted in more lateral and vertical spreading of the plume of impacted water, leading to increased Pb2+ (lead) concentrations and lower pH at a well down gradient of the CO2 leak. Pb2+ concentrations were higher in simulations where calcite was the source of Pb2+ compared to galena. The low solubility of galena effectively buffered the Pb2+ concentrations as galena reached saturation under reducing conditions along the flow path. In all cases, Pb2+ concentrations remained below the maximum contaminant level set by the EPA. Results from this study, compared to natural variability observed in aquifers, suggest that bicarbonate (HCO3) concentrations may be a better geochemical indicator of a CO2 leak under the conditions simulated here.

  15. System for reactivating catalysts

    DOE Patents [OSTI]

    Ginosar, Daniel M. (Idaho Falls, ID); Thompson, David N. (Idaho Falls, ID); Anderson, Raymond P. (Idaho Falls, ID)

    2010-03-02

    A method of reactivating a catalyst, such as a solid catalyst or a liquid catalyst is provided. The method comprises providing a catalyst that is at least partially deactivated by fouling agents. The catalyst is contacted with a fluid reactivating agent that is at or above a critical point of the fluid reactivating agent and is of sufficient density to dissolve impurities. The fluid reactivating agent reacts with at least one fouling agent, releasing the at least one fouling agent from the catalyst. The at least one fouling agent becomes dissolved in the fluid reactivating agent and is subsequently separated or removed from the fluid reactivating agent so that the fluid reactivating agent may be reused. A system for reactivating a catalyst is also disclosed.

  16. Evaporite Caprock Integrity. An experimental study of reactive mineralogy and pore-scale heterogeneity during brine-CO2 exposure

    DOE Public Access Gateway for Energy & Science Beta (PAGES Beta)

    Smith, Megan M.; Sholokhova, Yelena; Hao, Yue; Carroll, Susan A.

    2012-07-25

    Characterization and geochemical data are presented from a core-flooding experiment on a sample from the Three Fingers evaporite unit forming the lower extent of caprock at the Weyburn-Midale reservoir, Canada. This low-permeability sample was characterized in detail using X-ray computed microtomography before and after exposure to CO 2-acidified brine, allowing mineral phase and voidspace distributions to be quantified in three dimensions. Solution chemistry indicated that CO 2-acidified brine preferentially dissolved dolomite until saturation was attained, while anhydrite remained unreactive. Dolomite dissolution contributed to increases in bulk permeability through the formation of a localized channel, guided by microfractures as well asmore » porosity and reactive phase distributions aligned with depositional bedding. An indirect effect of carbonate mineral reactivity with CO 2-acidified solution is voidspace generation through physical transport of anhydrite freed from the rock matrix following dissolution of dolomite. The development of high permeability fast pathways in this experiment highlights the role of carbonate content and potential fracture orientations in evaporite caprock formations considered for both geologic carbon sequestration and CO 2-enhanced oil recovery operations.« less

  17. A Geochemical Speciation Program Based on PHREEQE

    Energy Science and Technology Software Center (OSTI)

    1992-02-18

    HARPHRQ is a program based on the code PHREEQE and is designed to model geochemical reactions. Like PHREEQE, it can calculate the pH, redox potential and mass transfer as a function of reaction progress and the composition of solution in equilibrium with multiple phases. In addition, HARPHRQ includes options to allow the composition of a solution at a fixed pH to be calculated and to automatically add or remove mineral phases as they become saturatedmore » or exhausted. A separate module can also be interfaced to give a choice of sorption models including the triple-layer model.« less

  18. DNA-based methods of geochemical prospecting

    DOE Patents [OSTI]

    Ashby, Matthew

    2011-12-06

    The present invention relates to methods for performing surveys of the genetic diversity of a population. The invention also relates to methods for performing genetic analyses of a population. The invention further relates to methods for the creation of databases comprising the survey information and the databases created by these methods. The invention also relates to methods for analyzing the information to correlate the presence of nucleic acid markers with desired parameters in a sample. These methods have application in the fields of geochemical exploration, agriculture, bioremediation, environmental analysis, clinical microbiology, forensic science and medicine.

  19. Geochemical Modeling of the Near-Surface Hydrothermal System...

    Open Energy Info (EERE)

    with non-thermal groundwater. Our conceptual model is based on hypotheses in the literature and published geochemical and petrologic data. Mixing of thermal and non-thermal...

  20. Merging high resolution geophysical and geochemical surveys to...

    Office of Energy Efficiency and Renewable Energy (EERE) Indexed Site

    combine a suite of high resolution geophysical and geochemical techniques to reduce exploration risk by characterizing hydrothermal alteration, fault geometries and relationships. ...

  1. Monitoring CO2 intrusion and associated geochemical transformations...

    Office of Scientific and Technical Information (OSTI)

    Monitoring CO2 intrusion and associated geochemical transformations in a shallow groundwater system using complex electrical methods Citation Details In-Document Search Title:...

  2. Category:Geochemical Data Analysis | Open Energy Information

    Open Energy Info (EERE)

    category, out of 4 total. G Geochemical Data Analysis Geothermometry T Thermal Ion Dispersion Thermochronometry Retrieved from "http:en.openei.orgwindex.php?titleCategory:Ge...

  3. Monitoring CO2 intrusion and associated geochemical transformations...

    Office of Scientific and Technical Information (OSTI)

    Monitoring CO2 intrusion and associated geochemical transformations in a shallow ... Citation Details In-Document Search Title: Monitoring CO2 intrusion and associated ...

  4. Computer Modeling of Chemical and Geochemical Processes in High...

    Broader source: All U.S. Department of Energy (DOE) Office Webpages (Extended Search)

    Computer modeling of chemical and geochemical processes in high ionic strength solutions is a unique capability within Sandia's Defense Waste Managment Programs located in...

  5. Estimating the spatio-temporal distribution of geochemical parameters

    Office of Scientific and Technical Information (OSTI)

    associated with biostimulation using spectral induced polarization data and hierarchical Bayesian models (Journal Article) | SciTech Connect Estimating the spatio-temporal distribution of geochemical parameters associated with biostimulation using spectral induced polarization data and hierarchical Bayesian models Citation Details In-Document Search Title: Estimating the spatio-temporal distribution of geochemical parameters associated with biostimulation using spectral induced polarization

  6. A Mineralogical Petrographic And Geochemical Study Of Samples...

    Open Energy Info (EERE)

    Mineralogical Petrographic And Geochemical Study Of Samples From Wells In The Geothermal Field Of Milos Island (Greece) Jump to: navigation, search OpenEI Reference LibraryAdd to...

  7. Geochemical Data on Waters, Gases, Scales, and Rocks from the...

    Open Energy Info (EERE)

    Jump to: navigation, search OpenEI Reference LibraryAdd to library Report: Geochemical Data on Waters, Gases, Scales, and Rocks from the Dixie Valley Region, Nevada (1996-1999)...

  8. Reactive Power Compensator.

    DOE Patents [OSTI]

    El-Sharkawi, M.A.; Venkata, S.S.; Chen, M.; Andexler, G.; Huang, T.

    1992-07-28

    A system and method for determining and providing reactive power compensation for an inductive load. A reactive power compensator (50,50') monitors the voltage and current flowing through each of three distribution lines (52a, 52b, 52c), which are supplying three-phase power to one or more inductive loads. Using signals indicative of the current on each of these lines when the voltage waveform on the line crosses zero, the reactive power compensator determines a reactive power compensator capacitance that must be connected to the lines to maintain a desired VAR level, power factor, or line voltage. Alternatively, an operator can manually select a specific capacitance for connection to each line, or the capacitance can be selected based on a time schedule. The reactive power compensator produces control signals, which are coupled through optical fibers (102/106) to a switch driver (110, 110') to select specific compensation capacitors (112) for connections to each line. The switch driver develops triggering signals that are supplied to a plurality of series-connected solid state switches (350), which control charge current in one direction in respect to ground for each compensation capacitor. During each cycle, current flows from ground to charge the capacitors as the voltage on the line begins to go negative from its positive peak value. The triggering signals are applied to gate the solid state switches into a conducting state when the potential on the lines and on the capacitors reaches a negative peak value, thereby minimizing both the potential difference and across the charge current through the switches when they begin to conduct. Any harmonic distortion on the potential and current carried by the lines is filtered out from the current and potential signals used by the reactive power compensator so that it does not affect the determination of the required reactive compensation. 26 figs.

  9. Reactive power compensator

    DOE Patents [OSTI]

    El-Sharkawi, Mohamed A. (Renton, WA); Venkata, Subrahmanyam S. (Woodinville, WA); Chen, Mingliang (Kirkland, WA); Andexler, George (Everett, WA); Huang, Tony (Seattle, WA)

    1992-01-01

    A system and method for determining and providing reactive power compensation for an inductive load. A reactive power compensator (50,50') monitors the voltage and current flowing through each of three distribution lines (52a, 52b, 52c), which are supplying three-phase power to one or more inductive loads. Using signals indicative of the current on each of these lines when the voltage waveform on the line crosses zero, the reactive power compensator determines a reactive power compensator capacitance that must be connected to the lines to maintain a desired VAR level, power factor, or line voltage. Alternatively, an operator can manually select a specific capacitance for connection to each line, or the capacitance can be selected based on a time schedule. The reactive power compensator produces control signals, which are coupled through optical fibers (102/106) to a switch driver (110, 110') to select specific compensation capacitors (112) for connections to each line. The switch driver develops triggering signals that are supplied to a plurality of series-connected solid state switches (350), which control charge current in one direction in respect to ground for each compensation capacitor. During each cycle, current flows from ground to charge the capacitors as the voltage on the line begins to go negative from its positive peak value. The triggering signals are applied to gate the solid state switches into a conducting state when the potential on the lines and on the capacitors reaches a negative peak value, thereby minimizing both the potential difference and across the charge current through the switches when they begin to conduct. Any harmonic distortion on the potential and current carried by the lines is filtered out from the current and potential signals used by the reactive power compensator so that it does not affect the determination of the required reactive compensation.

  10. SubTER Grand Challenge Roundtable: Imaging Geophysical and Geochemical

    Energy Savers [EERE]

    Signals in the Subsurface | Department of Energy SubTER Grand Challenge Roundtable: Imaging Geophysical and Geochemical Signals in the Subsurface SubTER Grand Challenge Roundtable: Imaging Geophysical and Geochemical Signals in the Subsurface PDF icon Grand Challenge Workshop -Imaging Subsurface.pdf More Documents & Publications AGU SubTER Town Hall Presentation 2015 SubTER Fact Sheet SubTER Presentation at Town Hall - American Geophysical Union

  11. Monitoring CO2 intrusion and associated geochemical transformations in a

    Office of Scientific and Technical Information (OSTI)

    shallow groundwater system using complex electrical methods (Journal Article) | SciTech Connect Monitoring CO2 intrusion and associated geochemical transformations in a shallow groundwater system using complex electrical methods Citation Details In-Document Search Title: Monitoring CO2 intrusion and associated geochemical transformations in a shallow groundwater system using complex electrical methods Authors: Dafflon, B. ; Wu, Y. ; Hubbard, S. S. ; Birkholzer, J. T. ; Daley, T. M. ; Pugh,

  12. Geochemical Impacts of Carbon Dioxide, Brine, Trace Metal and Organic

    Office of Scientific and Technical Information (OSTI)

    Leakage into an Unconfined, Oxidizing Limestone Aquifer (Journal Article) | SciTech Connect Journal Article: Geochemical Impacts of Carbon Dioxide, Brine, Trace Metal and Organic Leakage into an Unconfined, Oxidizing Limestone Aquifer Citation Details In-Document Search Title: Geochemical Impacts of Carbon Dioxide, Brine, Trace Metal and Organic Leakage into an Unconfined, Oxidizing Limestone Aquifer An important risk at CO2 storage sites is the potential for groundwater quality impacts. As

  13. Coffinitization of Uraninite: SEM/AEM Investigation and Geochemical

    Office of Scientific and Technical Information (OSTI)

    Modeling (Conference) | SciTech Connect Coffinitization of Uraninite: SEM/AEM Investigation and Geochemical Modeling Citation Details In-Document Search Title: Coffinitization of Uraninite: SEM/AEM Investigation and Geochemical Modeling Coffinite (USiO{sub 4}) has been found in numerous sedimentary and hydrothermal environments including those considered as natural analogues of nuclear waste repositories. Scanning electron microscopy (SEM) and analytical electron microscopy (AEM) studies

  14. Self-Organized Pattern Formation in Sedimentary Geochemical Systems. (Book)

    Office of Scientific and Technical Information (OSTI)

    | SciTech Connect Book: Self-Organized Pattern Formation in Sedimentary Geochemical Systems. Citation Details In-Document Search Title: Self-Organized Pattern Formation in Sedimentary Geochemical Systems. Abstract not provided. Authors: Wang, Yifeng Publication Date: 2015-09-01 OSTI Identifier: 1228821 Report Number(s): SAND2015-7601B 603562 DOE Contract Number: AC04-94AL85000 Resource Type: Book Publisher: SPEM Publications Research Org: Sandia National Laboratories (SNL-NM), Albuquerque,

  15. Reactive power compensating system

    DOE Patents [OSTI]

    Williams, Timothy J. (Redondo Beach, CA); El-Sharkawi, Mohamed A. (Renton, WA); Venkata, Subrahmanyam S. (Seattle, WA)

    1987-01-01

    The reactive power of an induction machine is compensated by providing fixed capacitors on each phase line for the minimum compensation required, sensing the current on one line at the time its voltage crosses zero to determine the actual compensation required for each phase, and selecting switched capacitors on each line to provide the balance of the compensation required.

  16. Reactive Power Compensating System.

    DOE Patents [OSTI]

    Williams, Timothy J.; El-Sharkawi, Mohamed A.; Venkata, Subrahmanyam S.

    1985-01-04

    The circuit was designed for the specific application of wind-driven induction generators. It has great potential for application in any situation where a varying reactive power load is present, such as with induction motors or generators, or for transmission network compensation.

  17. Computed solid phases limiting the concentration of dissolved constituents in basalt aquifers of the Columbia Plateau in eastern Washington. Geochemical modeling and nuclide/rock/groundwater interaction studies

    SciTech Connect (OSTI)

    Deutsch, W.J.; Jenne, E.A.; Krupka, K.M.

    1982-08-01

    A speciation-solubility geochemical model, WATEQ2, was used to analyze geographically-diverse, ground-water samples from the aquifers of the Columbia Plateau basalts in eastern Washington. The ground-water samples compute to be at equilibrium with calcite, which provides both a solubility control for dissolved calcium and a pH buffer. Amorphic ferric hydroxide, Fe(OH)/sub 3/(A), is at saturation or modestly oversaturated in the few water samples with measured redox potentials. Most of the ground-water samples compute to be at equilibrium with amorphic silica (glass) and wairakite, a zeolite, and are saturated to oversaturated with respect to allophane, an amorphic aluminosilicate. The water samples are saturated to undersaturated with halloysite, a clay, and are variably oversaturated with regard to other secondary clay minerals. Equilibrium between the ground water and amorphic silica presumably results from the dissolution of the glassy matrix of the basalt. The oversaturation of the clay minerals other than halloysite indicates that their rate of formation lags the dissolution rate of the basaltic glass. The modeling results indicate that metastable amorphic solids limit the concentration of dissolved silicon and suggest the same possibility for aluminum and iron, and that the processes of dissolution of basaltic glass and formation of metastable secondary minerals are continuing even though the basalts are of Miocene age. The computed solubility relations are found to agree with the known assemblages of alteration minerals in the basalt fractures and vesicles. Because the chemical reactivity of the bedrock will influence the transport of solutes in ground water, the observed solubility equilibria are important factors with regard to chemical-retention processes associated with the possible migration of nuclear waste stored in the earth's crust.

  18. Reactive Air Aluminization

    SciTech Connect (OSTI)

    Choi, Jung-Pyung; Chou, Y. S.; Stevenson, Jeffry W.

    2011-10-28

    Ferritic stainless steels and other alloys are of great interest to SOFC developers for applications such as interconnects, cell frames, and balance of plant components. While these alloys offer significant advantages (e.g., low material and manufacturing cost, high thermal conductivity, and high temperature oxidation resistance), there are challenges which can hinder their utilization in SOFC systems; these challenges include Cr volatility and reactivity with glass seals. To overcome these challenges, protective coatings and surface treatments for the alloys are under development. In particular, aluminization of alloy surfaces offers the potential for mitigating both evaporation of Cr from the alloy surface and reaction of alloy constituents with glass seals. Commercial aluminization processes are available to SOFC developers, but they tend to be costly due to their use of exotic raw materials and/or processing conditions. As an alternative, PNNL has developed Reactive Air Aluminization (RAA), which offers a low-cost, simpler alternative to conventional aluminization methods.

  19. Geochemical Modeling of ILAW Lysimeter Water Extracts

    SciTech Connect (OSTI)

    Cantrell, Kirk J.

    2014-12-22

    Geochemical modeling results of water extracts from simulated immobilized low-activity waste (ILAW) glasses, placed in lysimeters for eight years suggest that the secondary phase reaction network developed using product consistency test (PCT) results at 90C may need to be modified for field conditions. For sediment samples that had been collected from near the glass samples, the impact of glass corrosion could be readily observed based upon the pH of their water extracts. For unimpacted sediments the pH ranged from 7.88 to 8.11 with an average of 8.04. Sediments that had observable impacts from glass corrosion exhibited elevated pH values (as high as 9.97). For lysimeter sediment samples that appear to have been impacted by glass corrosion to the greatest extent, saturation indices determined for analcime, calcite, and chalcedony in the 1:1 water extracts were near equilibrium and were consistent with the secondary phase reaction network developed using PCT results at 90C. Fe(OH)3(s) also appears to be essentially at equilibrium in extracts impacted by glass corrosion, but with a solubility product (log Ksp) that is approximately 2.13 units lower than that used in the secondary phase reaction network developed using PCT results at 90C. The solubilities of TiO2(am) and ZrO2(am) also appear to be much lower than that assumed in the secondary phase reaction network developed using PCT results at 90C. The extent that the solubility of TiO2(am) and ZrO2(am) were reduced relative to that assumed in the secondary phase reaction network developed using PCT results at 90C could not be quantified because the concentrations of Ti and Zr in the extracts were below the estimated quantification limit. Gibbsite was consistently highly oversaturated in the extract while dawsonite was at or near equilibrium. This suggests that dawsonite might be a more suitable phase for the secondary phase reaction network than gibbsite under field conditions. This may be due to the availability of carbonate that exists in the Hanford sediments as calcite. A significant source of carbonate was not available in the PCTs and this may account for why this phase did not appear in the PCTs. Sepiolite was consistently highly undersaturated, suggesting that another phase controls the solubility of magnesium. For samples that were most impacted by the effects of glass corrosion, magnesite appears to control glass corrosion. For samples that show less impacts from glass corrosion, clinochlore-7A or saponite-Mg appears to control the magnesium concentrations. For zinc, it appears that zincite is a better candidate than Zn(OH)2-? for controlling zinc concentrations in the extracts; however, in some samples all zinc phases considered were highly oversaturated. As a result the phase that controls zinc concentrations in the lysimeter extracts remains uncertain.

  20. Permeable Reactive Barriers | Department of Energy

    Office of Energy Efficiency and Renewable Energy (EERE) Indexed Site

    Permeable Reactive Barriers Permeable Reactive Barriers Permeable Reactive Barrier Field Projects Durango, Colorado Durango, Colorado DOE installed a PRB in October 1995 to treat ...

  1. EFFECTS OF PORE STRUCTURE CHANGE AND MULTI-SCALE HETEROGENEITY ON CONTAMINANT TRANSPORT AND REACTION RATE UPSCALING

    SciTech Connect (OSTI)

    Lindquist, W. Brent; Jones, Keith W.; Um, Wooyong; Rockhold, mark; Peters, Catherine A.; Celia, Michael A.

    2013-02-15

    This project addressed the scaling of geochemical reactions to core and field scales, and the interrelationship between reaction rates and flow in porous media. We targeted reactive transport problems relevant to the Hanford site ? specifically the reaction of highly caustic, radioactive waste solutions with subsurface sediments, and the immobilization of 90Sr and 129I through mineral incorporation and passive flow blockage, respectively. We addressed the correlation of results for pore-scale fluid-soil interaction with field-scale fluid flow, with the specific goals of (i) predicting attenuation of radionuclide concentration; (ii) estimating changes in flow rates through changes of soil permeabilities; and (iii) estimating effective reaction rates. In supplemental work, we also simulated reactive transport systems relevant to geologic carbon sequestration. As a whole, this research generated a better understanding of reactive transport in porous media, and resulted in more accurate methods for reaction rate upscaling and improved prediction of permeability evolution. These scientific advancements will ultimately lead to better tools for management and remediation of DOEs legacy waste problems. We established three key issues of reactive flow upscaling, and organized this project in three corresponding thrust areas. 1) Reactive flow experiments. The combination of mineral dissolution and precipitation alters pore network structure and the subsequent flow velocities, thereby creating a complex interaction between reaction and transport. To examine this phenomenon, we conducted controlled laboratory experimentation using reactive flow-through columns. ? Results and Key Findings: Four reactive column experiments (S1, S3, S4, S5) have been completed in which simulated tank waste leachage (STWL) was reacted with pure quartz sand, with and without Aluminum. The STWL is a caustic solution that dissolves quartz. Because Al is a necessary element in the formation of secondary mineral precipitates (cancrinite), conducting experiments under conditions with and without Al allowed us to experimentally separate the conditions that lead to quartz dissolution from the conditions that lead to quartz dissolution plus cancrinite precipitation. Consistent with our expectations, in the experiments without Al, there was a substantial reduction in volume of the solid matrix. With Al there was a net increase in the volume of the solid matrix. The rate and extent of reaction was found to increase with temperature. These results demonstrate a successful effort to identify conditions that lead to increases and conditions that lead to decreases in solid matrix volume due to reactions of caustic tank wastes with quartz sands. In addition, we have begun to work with slightly larger, intermediate-scale columns packed with Hanford natural sediments and quartz. Similar dissolution and precipitation were observed in these colums. The measurements are being interpreted with reactive transport modeling using STOMP; preliminary observations are reported here. 2) Multi-Scale Imaging and Analysis. Mineral dissolution and precipitation rates within a porous medium will be different in different pores due to natural heterogeneity and the heterogeneity that is created from the reactions themselves. We used a combination of X-ray computed microtomography, backscattered electron and energy dispersive X-ray spectroscopy combined with computational image analysis to quantify pore structure, mineral distribution, structure changes and fluid-air and fluid-grain interfaces. ? Results and Key Findings: Three of the columns from the reactive flow experiments at PNNL (S1, S3, S4) were imaged using 3D X-ray computed microtomography (XCMT) at BNL and analyzed using 3DMA-rock at SUNY Stony Brook. The imaging results support the mass balance findings reported by Dr. Ums group, regarding the substantial dissolution of quartz in column S1. An important observation is that of grain movement accompanying dissolution in the unconsolidated media. The resultant movement

  2. Geochemical detection of carbon dioxide in dilute aquifers

    SciTech Connect (OSTI)

    Carroll, S; Hao, Y; Aines, R

    2009-03-27

    Carbon storage in deep saline reservoirs has the potential to lower the amount of CO{sub 2} emitted to the atmosphere and to mitigate global warming. Leakage back to the atmosphere through abandoned wells and along faults would reduce the efficiency of carbon storage, possibly leading to health and ecological hazards at the ground surface, and possibly impacting water quality of near-surface dilute aquifers. We use static equilibrium and reactive transport simulations to test the hypothesis that perturbations in water chemistry associated with a CO{sub 2} gas leak into dilute groundwater are important measures for the potential release of CO{sub 2} to the atmosphere. Simulation parameters are constrained by groundwater chemistry, flow, and lithology from the High Plains aquifer. The High Plains aquifer is used to represent a typical sedimentary aquifer overlying a deep CO{sub 2} storage reservoir. Specifically, we address the relationships between CO{sub 2} flux, groundwater flow, detection time and distance. The CO{sub 2} flux ranges from 10{sup 3} to 2 x 10{sup 6} t/yr (0.63 to 1250 t/m{sup 2}/yr) to assess chemical perturbations resulting from relatively small leaks that may compromise long-term storage, water quality, and surface ecology, and larger leaks characteristic of short-term well failure.

  3. Saturated Zone Colloid Transport

    SciTech Connect (OSTI)

    H. S. Viswanathan

    2004-10-07

    This scientific analysis provides retardation factors for colloids transporting in the saturated zone (SZ) and the unsaturated zone (UZ). These retardation factors represent the reversible chemical and physical filtration of colloids in the SZ. The value of the colloid retardation factor, R{sub col} is dependent on several factors, such as colloid size, colloid type, and geochemical conditions (e.g., pH, Eh, and ionic strength). These factors are folded into the distributions of R{sub col} that have been developed from field and experimental data collected under varying geochemical conditions with different colloid types and sizes. Attachment rate constants, k{sub att}, and detachment rate constants, k{sub det}, of colloids to the fracture surface have been measured for the fractured volcanics, and separate R{sub col} uncertainty distributions have been developed for attachment and detachment to clastic material and mineral grains in the alluvium. Radionuclides such as plutonium and americium sorb mostly (90 to 99 percent) irreversibly to colloids (BSC 2004 [DIRS 170025], Section 6.3.3.2). The colloid retardation factors developed in this analysis are needed to simulate the transport of radionuclides that are irreversibly sorbed onto colloids; this transport is discussed in the model report ''Site-Scale Saturated Zone Transport'' (BSC 2004 [DIRS 170036]). Although it is not exclusive to any particular radionuclide release scenario, this scientific analysis especially addresses those scenarios pertaining to evidence from waste-degradation experiments, which indicate that plutonium and americium may be irreversibly attached to colloids for the time scales of interest. A section of this report will also discuss the validity of using microspheres as analogs to colloids in some of the lab and field experiments used to obtain the colloid retardation factors. In addition, a small fraction of colloids travels with the groundwater without any significant retardation. Radionuclides irreversibly sorbed onto this fraction of colloids also transport without retardation. The transport times for these radionuclides will be the same as those for nonsorbing radionuclides. The fraction of nonretarding colloids developed in this analysis report is used in the abstraction of SZ and UZ transport models in support of the total system performance assessment (TSPA) for the license application (LA). This analysis report uses input from two Yucca Mountain Project (YMP) analysis reports. This analysis uses the assumption from ''Waste Form and In-Drift Colloids-Associated Radionuclide Concentrations: Abstraction and Summary'' that plutonium and americium are irreversibly sorbed to colloids generated by the waste degradation processes (BSC 2004 [DIRS 170025]). In addition, interpretations from RELAP analyses from ''Saturated Zone In-Situ Testing'' (BSC 2004 [DIRS 170010]) are used to develop the retardation factor distributions in this analysis.

  4. Geochemical and physical properties of wetland soils at the Savannah River site

    SciTech Connect (OSTI)

    Dixon, K.L; Rogers, V.A.; Conner, S.P.; Cummings, C.L.; Gladden, J.B.; Weber, J.M.

    1996-05-01

    The Savannah River Site (SRS), located in Aiken, Allendale, and Barnwell Counties, South Carolina, is a nuclear production facility operated for the U.S. Department of Energy (DOE) by Westinghouse Savannah River Company (WSRC). To facilitate future human health and ecological risk assessments, treatability studies, remedial investigations, and feasibility studies for its wetland areas, SRS needs a database of background geochemical and physical properties of wetland soils. These data are needed for comparison to data collected from wetland soils that may have been affected by SRS operations. SRS contains 36,000 acres of wetlands and an additional 5,000 acres of bottom land soils subject to flooding. Recent studies of wetland soils near various waste units at SRS show that some wetlands have been impacted by releases of contaminants resulting from SRS operations (WSRC, 1992). Waste waters originating from the operations facilities typically have been discharged into seepage basins located in upland soils, direct discharge of waste water to wetland areas has been minimal. This suggests that impacted wetland areas have been affected indirectly as a result of transport mechanisms such as surface runoff, groundwater seeps, fluvial or sediment transport, and leaching. Looney et al. (1990) conducted a study to characterize the geochemical and physical properties of upland soils and shallow sediments on the SRS. A primary objective of the upland study was to collect the data needed to assess the qualitative and quantitative impacts of SRS operations on the environment. By comparing the upland soils data to data collected from waste units located in similar soils, SRS impacts could be assessed. The data were also intended to aid in selection of remediation alternatives. Because waste units at SRS have historically been located in upland areas, wetland soils were not sampled. (Abstract Truncated)

  5. Validation of the WATEQ4 geochemical model for uranium

    SciTech Connect (OSTI)

    Krupka, K.M.; Jenne, E.A.; Deutsch, W.J.

    1983-09-01

    As part of the Geochemical Modeling and Nuclide/Rock/Groundwater Interactions Studies Program, a study was conducted to partially validate the WATEQ4 aqueous speciation-solubility geochemical model for uranium. The solubility controls determined with the WATEQ4 geochemical model were in excellent agreement with those laboratory studies in which the solids schoepite (UO/sub 2/(OH)/sub 2/ . H/sub 2/O), UO/sub 2/(OH)/sub 2/, and rutherfordine ((UO/sub 2/CO/sub 3/) were identified as actual solubility controls for uranium. The results of modeling solution analyses from laboratory studies of uranyl phosphate solids, however, identified possible errors in the characterization of solids in the original solubility experiments. As part of this study, significant deficiencies in the WATEQ4 thermodynamic data base for uranium solutes and solids were corrected. Revisions included recalculation of selected uranium reactions. Additionally, thermodynamic data for the hydroxyl complexes of U(VI), including anionic (VI) species, were evaluated (to the extent permitted by the available data). Vanadium reactions were also added to the thermodynamic data base because uranium-vanadium solids can exist in natural ground-water systems. This study is only a partial validation of the WATEQ4 geochemical model because the available laboratory solubility studies do not cover the range of solid phases, alkaline pH values, and concentrations of inorganic complexing ligands needed to evaluate the potential solubility of uranium in ground waters associated with various proposed nuclear waste repositories. Further validation of this or other geochemical models for uranium will require careful determinations of uraninite solubility over the pH range of 7 to 10 under highly reducing conditions and of uranyl hydroxide and phosphate solubilities over the pH range of 7 to 10 under oxygenated conditions.

  6. Experimental Evidence for Self-Limiting Reactive Flow through a Fractured

    Office of Scientific and Technical Information (OSTI)

    Cement Core: Implications for Time-Dependent Wellbore Leakage (Journal Article) | SciTech Connect Experimental Evidence for Self-Limiting Reactive Flow through a Fractured Cement Core: Implications for Time-Dependent Wellbore Leakage Citation Details In-Document Search Title: Experimental Evidence for Self-Limiting Reactive Flow through a Fractured Cement Core: Implications for Time-Dependent Wellbore Leakage We present a set of reactive transport experiments in cement fractures. The

  7. Low Cost Non-Reactive

    Broader source: All U.S. Department of Energy (DOE) Office Webpages (Extended Search)

    Prepared: 10/28/09 Low Cost Non-Reactive Coating for Refractory Metals A non-reactive coating for refractory metals has been developed at The Ames Laboratory. Contamination of rare earth and reactive metals and their alloys has been a chronic problem that results from their interaction with the crucibles or other vessels used in high temperature processing or during other applications. As a consequence, processing and other costs are high due to the need to replace equipment or containers, or

  8. Argonne Geothermal Geochemical Database v2.0

    DOE Data Explorer [Office of Scientific and Technical Information (OSTI)]

    Harto, Christopher

    2013-05-22

    A database of geochemical data from potential geothermal sources aggregated from multiple sources as of March 2010. The database contains fields for the location, depth, temperature, pH, total dissolved solids concentration, chemical composition, and date of sampling. A separate tab contains data on non-condensible gas compositions. The database contains records for over 50,000 wells, although many entries are incomplete. Current versions of source documentation are listed in the dataset.

  9. Geochemical Triggers of Arsenic Mobilization during Managed Aquifer

    Broader source: All U.S. Department of Energy (DOE) Office Webpages (Extended Search)

    Recharge | Stanford Synchrotron Radiation Lightsource Geochemical Triggers of Arsenic Mobilization during Managed Aquifer Recharge Monday, February 29, 2016 Managed aquifer recharge (MAR) is an increasingly used water enhancement strategy, which involves subsurface storage of water supplies in groundwater aquifers. While MAR projects have the potential to alleviate water deficits, they can also adversely impact groundwater quality by altering the native geochemistry of the aquifer and

  10. Argonne Geothermal Geochemical Database v2.0

    DOE Data Explorer [Office of Scientific and Technical Information (OSTI)]

    Harto, Christopher

    A database of geochemical data from potential geothermal sources aggregated from multiple sources as of March 2010. The database contains fields for the location, depth, temperature, pH, total dissolved solids concentration, chemical composition, and date of sampling. A separate tab contains data on non-condensible gas compositions. The database contains records for over 50,000 wells, although many entries are incomplete. Current versions of source documentation are listed in the dataset.

  11. A Tariff for Reactive Power

    SciTech Connect (OSTI)

    Kueck, John D; Kirby, Brendan J; Li, Fangxing; Tufon, Christopher; Isemonger, Alan

    2008-07-01

    Two kinds of power are required to operate an electric power system: real power, measured in watts, and reactive power, measured in volt-amperes reactive or VARs. Reactive power supply is one of a class of power system reliability services collectively known as ancillary services, and is essential for the reliable operation of the bulk power system. Reactive power flows when current leads or lags behind voltage. Typically, the current in a distribution system lags behind voltage because of inductive loads such as motors. Reactive power flow wastes energy and capacity and causes voltage droop. To correct lagging power flow, leading reactive power (current leading voltage) is supplied to bring the current into phase with voltage. When the current is in phase with voltage, there is a reduction in system losses, an increase in system capacity, and a rise in voltage. Reactive power can be supplied from either static or dynamic VAR sources. Static sources are typically transmission and distribution equipment, such as capacitors at substations, and their cost has historically been included in the revenue requirement of the transmission operator (TO), and recovered through cost-of-service rates. By contrast, dynamic sources are typically generators capable of producing variable levels of reactive power by automatically controlling the generator to regulate voltage. Transmission system devices such as synchronous condensers can also provide dynamic reactive power. A class of solid state devices (called flexible AC transmission system devices or FACTs) can provide dynamic reactive power. One specific device has the unfortunate name of static VAR compensator (SVC), where 'static' refers to the solid state nature of the device (it does not include rotating equipment) and not to the production of static reactive power. Dynamic sources at the distribution level, while more costly would be very useful in helping to regulate local voltage. Local voltage regulation would reduce system losses, increase circuit capacity, increase reliability, and improve efficiency. Reactive power is theoretically available from any inverter-based equipment such as photovoltaic (PV) systems, fuel cells, microturbines, and adjustable-speed drives. However, the installation is usually only economical if reactive power supply is considered during the design and construction phase. In this report, we find that if the inverters of PV systems or the generators of combined heat and power (CHP) systems were designed with capability to supply dynamic reactive power, they could do this quite economically. In fact, on an annualized basis, these inverters and generators may be able to supply dynamic reactive power for about $5 or $6 per kVAR. The savings from the local supply of dynamic reactive power would be in reduced losses, increased capacity, and decreased transmission congestion. The net savings are estimated to be about $7 per kVAR on an annualized basis for a hypothetical circuit. Thus the distribution company could economically purchase a dynamic reactive power service from customers for perhaps $6/kVAR. This practice would provide for better voltage regulation in the distribution system and would provide an alternate revenue source to help amortize the cost of PV and CHP installations. As distribution and transmission systems are operated under rising levels of stress, the value of local dynamic reactive supply is expected to grow. Also, large power inverters, in the range of 500 kW to 1 MW, are expected to decrease in cost as they become mass produced. This report provides one data point which shows that the local supply of dynamic reactive power is marginally profitable at present for a hypothetical circuit. We expect that the trends of growing power flow on the existing system and mass production of inverters for distributed energy devices will make the dynamic supply of reactive power from customers an integral component of economical and reliable system operation in the future.

  12. Novel Imaging Techniques, Integrated with Mineralogical, Geochemical and Microbiological Characterization to Determine the Biogeochemical Controls....

    SciTech Connect (OSTI)

    Lloyd, Jonathan R.

    2005-06-01

    Tc(VII) will be reduced and precipitated in FRC sediments under anaerobic conditions in batch experiments (progressive microcosms). The complementary microcosm experiments using low pH/nigh nitrate sediments from 3 (near FW 009) are imminent, with the sediment cores already shipped to Manchester. HYPOTHESIS 2. Tc(VII) reduction and precipitation can be visualized in discrete biogeochemical zones in sediment columns using 99mTc and a gamma-camera. Preliminary experiments testing the use of 99mTc as a radiotracer to address hypotheses 2 and 3 have suggested that the 99mTc associates with Fe(II)-bearing sediments in microcosms and stratified columns containing FRC sediments. Initial proof of concept microcosms containing Fe(II)-bearing, microbially-reduced FRC sediments were spiked with 99mTc and imaged using a gamma-camera. In comparison with oxic controls, 99mTc was significantly partitioned in the solid phase in Fe(III)-reducing sediments in batch experiments. Column experiments using FRC background area soil with stratified biogeochemical zones after stimulation of anaerobic processes through nutrient supplementation, suggested that 99mTc transport was retarded through areas of Fe(III) reduction. HYPOTHESIS 3. Sediment-bound reduced 99mTc can be solubilized by perturbations including oxidation coupled to biological nitrate reduction, and mobilization visualized in real-time using a gamma-camera. Significant progress has been made focusing on the impact of nitrate on the biogeochemical behavior of technetium. Additions of 100 mM nitrate to FRC sediment microcosms, which could potentially compete for electrons during metal reduction, inhibited the reduction of both Fe(III) and Tc(VII) completely. Experiments have also addressed the impact of high nitrate concentrations on Fe(II) and Tc(IV) in pre-reduced sediments, showing no significant resolubilization of Tc with the addition of 25 mM nitrate. A parallel set of experiments addressing the impact of aerobic conditions on the stability/solubility of Fe(II) and Tc(IV), found 80 % resolubilization of the Tc. Column experiments exploring this behavior are being planned. HYPOTHESIS 4 The mobility of 99mTc in the sediment columns can be modeled using a coupled speciation and transport code. Microbiological and geochemical characterization of the column experiments is ongoing and transport and geochemical modeling experiments are being planned.

  13. Transportation Research

    Broader source: All U.S. Department of Energy (DOE) Office Webpages (Extended Search)

    transportation-research TRACC RESEARCH Computational Fluid Dynamics Computational Structural Mechanics Transportation Systems Modeling Transportation Research Current Research Overview The U.S. Department of Transportation (USDOT) has established its only high-performance computing and engineering analysis research facility at Argonne National Laboratory to provide applications support in key areas of applied research and development for the USDOT community. The Transportation Research and

  14. Microsoft Word - LBNL-52550 Jart Yellowstone,Dobson.doc

    Office of Scientific and Technical Information (OSTI)

    ... fluid flow and reactive geochemical transport in variably fractured rocks: 1. Methodology. ... Journal of Geophysical Research 106 (B2), 2121-2138. Xu, T., Sonnenthal, E., Spycher, N., ...

  15. Geochemical drivers of organic matter decomposition in Arctic tundra soils

    SciTech Connect (OSTI)

    Herndon, Elizabeth M.; Yang, Ziming; Graham, David E.; Wullschleger, Stan D.; Gu, Baohua; Liang, Liyuan; Bargar, John; Janot, Noemie; Regier, Tom Z.

    2015-12-07

    Climate change is warming tundra ecosystems in the Arctic, resulting in the decomposition of previously-frozen soil organic matter (SOM) and release of carbon (C) to the atmosphere; however, the processes that control SOM decomposition and C emissions remain highly uncertain. In this study, we evaluate geochemical factors that influence anaerobic production of carbon dioxide (CO2) and methane (CH4) in the active layers of four ice-wedge polygons. Surface and soil pore waters were collected during the annual thaw season over a two-year period in an area containing waterlogged, low-centered polygons and well-drained, high-centered polygons. We report spatial and seasonal patterns of dissolved gases in relation to the geochemical properties of Fe and organic C as determined using spectroscopic and chromatographic techniques. Iron was present as Fe(II) in soil solution near the permafrost boundary but enriched as Fe(III) in the middle of the active layer, similar to dissolved aromatic-C and organic acids. Dissolved CH4 increased relative to dissolved CO2 with depth and varied with soil moisture in the middle of the active layer in patterns that were positively correlated with the proportion of dissolved Fe(III) in transitional and low-centered polygon soils but negatively correlated in the drier flat- and high-centered polygons. These results suggest that microbial-mediated Fe oxidation and reduction influence respiration/fermentation of SOM and production of substrates (e.g., low-molecular-weight organic acids) for methanogenesis. As a result, we infer that geochemical differences induced by water saturation dictate microbial products of SOM decomposition, and Fe geochemistry is an important factor regulating methanogenesis in anoxic tundra soils.

  16. Geochemical drivers of organic matter decomposition in Arctic tundra soils

    DOE Public Access Gateway for Energy & Science Beta (PAGES Beta)

    Herndon, Elizabeth M.; Yang, Ziming; Graham, David E.; Wullschleger, Stan D.; Gu, Baohua; Liang, Liyuan; Bargar, John; Janot, Noemie; Regier, Tom Z.

    2015-12-07

    Climate change is warming tundra ecosystems in the Arctic, resulting in the decomposition of previously-frozen soil organic matter (SOM) and release of carbon (C) to the atmosphere; however, the processes that control SOM decomposition and C emissions remain highly uncertain. In this study, we evaluate geochemical factors that influence anaerobic production of carbon dioxide (CO2) and methane (CH4) in the active layers of four ice-wedge polygons. Surface and soil pore waters were collected during the annual thaw season over a two-year period in an area containing waterlogged, low-centered polygons and well-drained, high-centered polygons. We report spatial and seasonal patterns ofmore »dissolved gases in relation to the geochemical properties of Fe and organic C as determined using spectroscopic and chromatographic techniques. Iron was present as Fe(II) in soil solution near the permafrost boundary but enriched as Fe(III) in the middle of the active layer, similar to dissolved aromatic-C and organic acids. Dissolved CH4 increased relative to dissolved CO2 with depth and varied with soil moisture in the middle of the active layer in patterns that were positively correlated with the proportion of dissolved Fe(III) in transitional and low-centered polygon soils but negatively correlated in the drier flat- and high-centered polygons. These results suggest that microbial-mediated Fe oxidation and reduction influence respiration/fermentation of SOM and production of substrates (e.g., low-molecular-weight organic acids) for methanogenesis. As a result, we infer that geochemical differences induced by water saturation dictate microbial products of SOM decomposition, and Fe geochemistry is an important factor regulating methanogenesis in anoxic tundra soils.« less

  17. EQ3/6 A Software Package for Geochemical Modeling

    Energy Science and Technology Software Center (OSTI)

    2010-12-13

    EQ3/6 is a software package for modeling geochemical interactions between aqueous solution, solids, and gases, following principles of chemical thermodynamics and chemical kinetics. It is useful for interpreting aqueiou solution chemical compositions and for calculating the consequences of reaction of such solutions with minerals, other solids, and gases. It is designed to run in a command line environment. EQPT is a thermodynamic data file preprocessor. EQ3NR is a speciation-solubility code. EQ6 is a reaction pathmore » code.« less

  18. Chemically Reactive Working Fluids for the Capture and Transport...

    Office of Energy Efficiency and Renewable Energy (EERE) Indexed Site

    This presentation was delivered at the SunShot Concentrating Solar Power (CSP) Program Review 2013, held April 23-25, 2013 near Phoenix, Arizona. PDF icon cspreviewmeeting042313...

  19. Reaction-based reactive transport modeling of Fe(III)

    SciTech Connect (OSTI)

    Kemner, K.M.; Kelly, S.D.; Burgos, Bill; Roden, Eric

    2006-06-01

    This research project (started Fall 2004) was funded by a grant to Argonne National Laboratory, The Pennsylvania State University, and The University of Alabama in the Integrative Studies Element of the NABIR Program (DE-FG04-ER63914/63915/63196). Dr. Eric Roden, formerly at The University of Alabama, is now at the University of Wisconsin, Madison. Our project focuses on the development of a mechanistic understanding and quantitative models of coupled Fe(III)/U(VI) reduction in FRC Area 2 sediments. This work builds on our previous studies of microbial Fe(III) and U(VI) reduction, and is directly aligned with the Scheibe et al. NABIR FRC Field Project at Area 2.

  20. Reduced-Order Model for the Geochemical Impacts of Carbon Dioxide...

    Office of Scientific and Technical Information (OSTI)

    Reduced-Order Model for the Geochemical Impacts of Carbon Dioxide, Brine and Trace Metal Leakage into an Unconfined, Oxidizing Carbonate Aquifer, Version 2.1 Citation Details...

  1. Novel Coupled Thermochronometric and Geochemical Investigation of Blind Geothermal Resources in Fault-Controlled Dilational Corners

    Broader source: Energy.gov [DOE]

    Novel Coupled Thermochronometric and Geochemical Investigation of Blind Geothermal Resources in Fault-Controlled Dilational Corners presentation at the April 2013 peer review meeting held in Denver, Colorado.

  2. Radiation Transport

    SciTech Connect (OSTI)

    Urbatsch, Todd James

    2015-06-15

    We present an overview of radiation transport, covering terminology, blackbody raditation, opacities, Boltzmann transport theory, approximations to the transport equation. Next we introduce several transport methods. We present a section on Caseology, observing transport boundary layers. We briefly broach topics of software development, including verification and validation, and we close with a section on high energy-density experiments that highlight and support radiation transport.

  3. Stochastic Analysis of Advection-diffusion-Reactive Systems with Applications to Reactive Transport in Porous Media

    SciTech Connect (OSTI)

    Tartakovsky, Daniel

    2013-08-30

    We developed new CDF and PDF methods for solving non-linear stochastic hyperbolic equations that does not rely on linearization approximations and allows for rigorous formulation of the boundary conditions.

  4. GEOCENTRIFUGE STUDIES OF FLOW AND TRANSPORT IN POROUS MEDIA, FINAL REPORT FOR GRANT NUMBER DE-FG02-03ER63567 TO THE UNIVERSITY OF IDAHO (RW SMITH), ENVIRONMENTAL MANAGEMENT SCIENCE PROGRAM PROJECT NUMBER 86598, COUPLED FLOW AND REACTIVITY IN VARIABLY SATURATED POROUS MEDIA

    SciTech Connect (OSTI)

    Robert W. Smith; Carl D. Palmer; Earl D. Mattson

    2007-06-15

    Improved models of contaminant migration in heterogeneous, variably saturated porous media are required to better define the long-term stewardship requirements for U.S. Department of Energy (DOE) lands and to assist in the design of effective vadose-zone barriers to contaminant migrations. The development of these improved models requires field and laboratory results to evaluate their efficacy. However, controlled laboratory experiments simulating vadose conditions can require extensive period of time, and often are conducted at condition near saturation rather than the much drier conditions common in many contaminated arid vadose zone sites. Collaborative research undertaken by the Idaho National Laboratory (INL) and the University of Idaho as part of this Environmental Management Science Program project focused on the development and evaluation of geocentrifuge techniques and equipment that allows vadose zone experiments to be conducted for relevant conditions in time frames not possible in conventional bench top experiments. A key and novel aspect of the research was the use of the 2-meter radius geocentrifuge capabilities at the Idaho National Laboratory to conduct unsaturated transport experiments. Specifically, the following activities were conducted ** Reviewing of the theory of unsaturated flow in the geocentrifuge to establish the range of centrifuge accelerations/experimental conditions and the translation of centrifuge results to 1 gravity applications. ** Designing, constructing, and testing of in-flight experimental apparatus allowing the replication of traditional bench top unsaturated transport experiments on the geocentrifuge. ** Performing unsaturated 1-dimenstional column geocentrifuge experiments using conservative tracers to evaluate the effects of increased centrifugal acceleration on derived transport properties and assessing the scaling relationships for these properties. Because the application of geocentrifuge techniques to vadose transport is in its infancy experimental apparatus such as pumps, flow meters, columns, fraction collectors, etc. that would reliably function under the increased self weight experienced on the centrifuge had to be developed and tested as part of this project. Although, we initially planed to conduct experiments using reactive tracer and 2-dimensional heterogeneities, the cost and time associated with designing, building, and testing of experimental apparatus limited our experimental program to conservative tracer experiments using 1-dimensional columns. The results we obtained in this study indicate that the geocentrifuge technique is a viable experimental method for the study of subsurface processes where gravitational acceleration is important. The geocentrifuge allows experiments to be completed more quickly than tests conducted at 1-g, can be used to experimentally address important scaling issues, and permits experiments under a range of conditions that would be difficult or impossible using conventional approaches. The application of the geocentrifuge approaches and associated models developed in this project allows more meaningful investigation of DOE relevant vadose-zone issues under scalable conditions in time frames previously not obtainable.

  5. Feed gas contaminant removal in ion transport membrane systems

    DOE Patents [OSTI]

    Underwood, Richard Paul (Allentown, PA); Makitka, III, Alexander (Hatfield, PA); Carolan, Michael Francis (Allentown, PA)

    2012-04-03

    An oxygen ion transport membrane process wherein a heated oxygen-containing gas having one or more contaminants is contacted with a reactive solid material to remove the one or more contaminants. The reactive solid material is provided as a deposit on a support. The one or more contaminant compounds in the heated oxygen-containing gas react with the reactive solid material. The contaminant-depleted oxygen-containing gas is contacted with a membrane, and oxygen is transported through the membrane to provide transported oxygen.

  6. Geochemical and Geomechanical Effects on Wellbore Cement Fractures

    SciTech Connect (OSTI)

    Um, Wooyong; Jung, Hun Bok; Kabilan, Senthil; Fernandez, Carlos A.; Brown, Christopher F.

    2014-12-31

    Experimental studies were conducted using batch reactors, X-ray microtomograpy (XMT), and computational fluid dynamics (CFD) simulation to determine changes in cement fracture surfaces, fluid flow pathways, and permeability with geochemical and geomechanical processes. Composite Portland cement-basalt caprock core with artificial fractures was prepared and reacted with CO2-saturated groundwater at 50C and 10 MPa for 3 to 3.5 months under static conditions to understand the geochemical and geomechanical effects on the integrity of wellbores containing defects. Cement-basalt interface samples were subjected to mechanical stress at 2.7 MPa before the CO2 reaction. XMT provided three-dimensional (3-D) visualization of the opening and interconnection of cement fractures due to mechanical stress. After the CO2 reaction, XMT images revealed that calcium carbonate precipitation occurred extensively within the fractures in the cement matrix, but only partially along fractures located at the cement-basalt interface. The permeability calculated based on CFD simulation was in agreement with the experimentally measured permeability. The experimental results imply that the wellbore cement with fractures is likely to be healed during exposure to CO2-saturated groundwater under static conditions, whereas fractures along the cement-caprock interface are still likely to remain vulnerable to the leakage of CO2. CFD simulation for the flow of different fluids (CO2-saturated brine and supercritical CO2) using a pressure difference of 20 kPa and 200 kPa along ~2 cm-long cement fractures showed that a pressure gradient increase resulted in an increase of CO2 fluids flux by a factor of only ~3-9 because the friction of CO2 fluids on cement fracture surfaces increased with higher flow rate as well. At the same pressure gradient, the simulated flow rate was higher for supercritical CO2 than CO2-saturated brine by a factor of only ~2-3, because the viscosity of supercritical CO2 is much lower than that of CO2-saturated brine. The study suggests that in deep geological reservoirs the geochemical and geomechanical processes have coupled effects on the wellbore cement fracture evolution and fluid flow along the fracture surfaces.

  7. Geochemical and Geomechanical Effects on Wellbore Cement Fractures

    DOE Public Access Gateway for Energy & Science Beta (PAGES Beta)

    Um, Wooyong; Jung, Hun Bok; Kabilan, Senthil; Fernandez, Carlos A.; Brown, Christopher F.

    2014-12-31

    Experimental studies were conducted using batch reactors, X-ray microtomograpy (XMT), and computational fluid dynamics (CFD) simulation to determine changes in cement fracture surfaces, fluid flow pathways, and permeability with geochemical and geomechanical processes. Composite Portland cement-basalt caprock core with artificial fractures was prepared and reacted with CO2-saturated groundwater at 50°C and 10 MPa for 3 to 3.5 months under static conditions to understand the geochemical and geomechanical effects on the integrity of wellbores containing defects. Cement-basalt interface samples were subjected to mechanical stress at 2.7 MPa before the CO2 reaction. XMT provided three-dimensional (3-D) visualization of the opening and interconnectionmore » of cement fractures due to mechanical stress. After the CO2 reaction, XMT images revealed that calcium carbonate precipitation occurred extensively within the fractures in the cement matrix, but only partially along fractures located at the cement-basalt interface. The permeability calculated based on CFD simulation was in agreement with the experimentally measured permeability. The experimental results imply that the wellbore cement with fractures is likely to be healed during exposure to CO2-saturated groundwater under static conditions, whereas fractures along the cement-caprock interface are still likely to remain vulnerable to the leakage of CO2. CFD simulation for the flow of different fluids (CO2-saturated brine and supercritical CO2) using a pressure difference of 20 kPa and 200 kPa along ~2 cm-long cement fractures showed that a pressure gradient increase resulted in an increase of CO2 fluids flux by a factor of only ~3-9 because the friction of CO2 fluids on cement fracture surfaces increased with higher flow rate as well. At the same pressure gradient, the simulated flow rate was higher for supercritical CO2 than CO2-saturated brine by a factor of only ~2-3, because the viscosity of supercritical CO2 is much lower than that of CO2-saturated brine. The study suggests that in deep geological reservoirs the geochemical and geomechanical processes have coupled effects on the wellbore cement fracture evolution and fluid flow along the fracture surfaces.« less

  8. The hydrogeologic-geochemical model of Cerro Prieto revisited

    SciTech Connect (OSTI)

    Lippmann, M.J.; Halfman, S.E.; Truesdell, A.H.; Manon M., A.

    1989-01-01

    As the exploitation of the Cerro Prieto, Mexico, geothermal field continues, there is increasing evidence that the hydrogeologic model developed by Halfman et al. (1984, 1986) presents the basic features controlling the movement of geothermal fluids in the system. At the present time the total installed capacity at Cerro Prieto is 620 MWe requiring the production of more than 10,500 tonnes/hr of a brine-steam mixture. This significant rate of fluid production has resulted in changes in reservoir thermodynamic conditions and in the chemistry of the produced fluids. After reviewing the hydrogeologic-geochemical model of Cerro Prieto, some of the changes observed in the field due to its exploitation are discussed and interpreted on the basis of the model. 21 refs., 11 figs., 1 tab.

  9. Beam Transport

    Broader source: All U.S. Department of Energy (DOE) Office Webpages (Extended Search)

    Beam Transport Beam Transport A simplified drawing of the beam transport system from the linac to Target-1 (Lujan Center), Target-2 (Blue Room) and Target-4 is shown below. In usual operation beam is transported from the linac through the pulsed Ring Injection Kicker (RIKI) magnet. When RIKI is switched on, the beam is injected into the storage ring with the time structure shown here. The beam is accumulated in the PSR and then transported to Target-1. beam_transport1 Simplified drawing of the

  10. WATEQ3 geochemical model: thermodynamic data for several additional solids

    SciTech Connect (OSTI)

    Krupka, K.M.; Jenne, E.A.

    1982-09-01

    Geochemical models such as WATEQ3 can be used to model the concentrations of water-soluble pollutants that may result from the disposal of nuclear waste and retorted oil shale. However, for a model to competently deal with these water-soluble pollutants, an adequate thermodynamic data base must be provided that includes elements identified as important in modeling these pollutants. To this end, several minerals and related solid phases were identified that were absent from the thermodynamic data base of WATEQ3. In this study, the thermodynamic data for the identified solids were compiled and selected from several published tabulations of thermodynamic data. For these solids, an accepted Gibbs free energy of formation, ..delta..G/sup 0//sub f,298/, was selected for each solid phase based on the recentness of the tabulated data and on considerations of internal consistency with respect to both the published tabulations and the existing data in WATEQ3. For those solids not included in these published tabulations, Gibbs free energies of formation were calculated from published solubility data (e.g., lepidocrocite), or were estimated (e.g., nontronite) using a free-energy summation method described by Mattigod and Sposito (1978). The accepted or estimated free energies were then combined with internally consistent, ancillary thermodynamic data to calculate equilibrium constants for the hydrolysis reactions of these minerals and related solid phases. Including these values in the WATEQ3 data base increased the competency of this geochemical model in applications associated with the disposal of nuclear waste and retorted oil shale. Additional minerals and related solid phases that need to be added to the solubility submodel will be identified as modeling applications continue in these two programs.

  11. Remediation of Uranium in the Hanford Vadose Zone Using Gas-Transported Reactants: Laboratory Scale Experiments in Support of the Deep Vadose Zone Treatability Test Plan for the Hanford Central Plateau

    SciTech Connect (OSTI)

    Szecsody, James E.; Truex, Michael J.; Zhong, Lirong; Williams, Mark D.; Resch, Charles T.; McKinley, James P.

    2010-01-04

    This laboratory-scale investigation is focused on decreasing mobility of uranium in subsurface contaminated sediments in the vadose zone by in situ geochemical manipulation at low water content. This geochemical manipulation of the sediment surface phases included reduction, pH change (acidic and alkaline), and additions of chemicals (phosphate, ferric iron) to form specific precipitates. Reactants were advected into 1-D columns packed with Hanford 200 area U-contaminated sediment as a reactive gas (for CO2, NH3, H2S, SO2), with a 0.1% water content mist (for NaOH, Fe(III), HCl, PO4) and with a 1% water content foam (for PO4). Uranium is present in the sediment in multiple phases that include (in decreasing mobility): aqueous U(VI) complexes, adsorbed U, reduced U(IV) precipitates, rind-carbonates, total carbonates, oxides, silicates, phosphates, and in vanadate minerals. Geochemical changes were evaluated in the ability to change the mixture of surface U phases to less mobile forms, as defined by a series of liquid extractions that dissolve progressively less soluble phases. Although liquid extractions provide some useful information as to the generalized uranium surface phases (and are considered operational definitions of extracted phases), positive identification (by x-ray diffraction, electron microprobe, other techniques) was also used to positively identify U phases and effects of treatment. Some of the changes in U mobility directly involve U phases, whereas other changes result in precipitate coatings on U surface phases. The long-term implication of the U surface phase changes to alter U mass mobility in the vadose zone was then investigated using simulations of 1-D infiltration and downward migration of six U phases to the water table. In terms of the short-term decrease in U mobility (in decreasing order), NH3, NaOH mist, CO2, HCl mist, and Fe(III) mist showed 20% to 35% change in U surface phases. Phosphate addition (mist or foam advected) showed inconsistent change in aqueous and adsorbed U, but significant coating (likely phosphates) on U-carbonates. The two reductive gas treatments (H2S and SO2) showed little change. For long-term decrease in U reduction, mineral phases created that had low solubility (phosphates, silicates) were desired, so NH3, phosphates (mist and foam delivered), and NaOH mist showed the greatest formation of these minerals. In addition, simulations showed the greatest decrease in U mass transport time to reach groundwater (and concentration) for these silicate/phosphate minerals. Advection of reactive gasses was the easiest to implement at the laboratory scale (and presumably field scale). Both mist and foam advection show promise and need further development, but current implementation move reactants shorter distances relative to reactive gasses. Overall, the ammonia and carbon dioxide gas had the greatest overall geochemical performance and ability to implement at field scale. Corresponding mist-delivered technologies (NaOH mist for ammonia and HCl mist for carbon dioxide) performed as well or better geochemically, but are not as easily upscaled. Phosphate delivery by mist was rated slightly higher than by foam delivery simply due to the complexity of foam injection and unknown effect of U mobility by the presence of the surfactant.

  12. Simulation of Coupled Processes of Flow, Transport, and Storage of CO2 in Saline Aquifers

    SciTech Connect (OSTI)

    Wu, Yu-Shu; Chen, Zizhong; Kazemi, Hossein; Yin, Xiaolong; Pruess, Karsten; Oldenburg, Curt; Winterfeld, Philip; Zhang, Ronglei

    2014-09-30

    This report is the final scientific one for the award DE- FE0000988 entitled Simulation of Coupled Processes of Flow, Transport, and Storage of CO2 in Saline Aquifers. The work has been divided into six tasks. In task, Development of a Three-Phase Non-Isothermal CO2 Flow Module, we developed a fluid property module for brine-CO2 mixtures designed to handle all possible phase combinations of aqueous phase, sub-critical liquid and gaseous CO2, supercritical CO2, and solid salt. The thermodynamic and thermophysical properties of brine-CO2 mixtures (density, viscosity, and specific enthalpy of fluid phases; partitioning of mass components among the different phases) use the same correlations as an earlier fluid property module that does not distinguish between gaseous and liquid CO2-rich phases. We verified the fluid property module using two leakage scenarios, one that involves CO2 migration up a blind fault and subsequent accumulation in a secondary parasitic reservoir at shallower depth, and another investigating leakage of CO2 from a deep storage reservoir along a vertical fault zone. In task, Development of a Rock Mechanical Module, we developed a massively parallel reservoir simulator for modeling THM processes in porous media brine aquifers. We derived, from the fundamental equations describing deformation of porous elastic media, a momentum conservation equation relating mean stress, pressure, and temperature, and incorporated it alongside the mass and energy conservation equations from the TOUGH2 formulation, the starting point for the simulator. In addition, rock properties, namely permeability and porosity, are functions of effective stress and other variables that are obtained from the literature. We verified the simulator formulation and numerical implementation using analytical solutions and example problems from the literature. For the former, we matched a one-dimensional consolidation problem and a two-dimensional simulation of the Mandel-Cryer effect. For the latter, we obtained a good match of temperature and gas saturation profiles, and surface uplift, after injection of hot fluid into a model of a caldera structure. In task, Incorporation of Geochemical Reactions of Selected Important Species, we developed a novel mathematical model of THMC processes in porous and fractured saline aquifers, simulating geo-chemical reactions associated with CO2 sequestration in saline aquifers. Two computational frameworks, sequentially coupled and fully coupled, were used to simulate the reactions and transport. We verified capabilities of the THMC model to treat complex THMC processes during CO2 sequestration by analytical solutions and we constructed reactive transport models to analyze the THMC process quantitatively. Three of these are 1D reactive transport under chemical equilibrium, a batch reaction model with equilibrium chemical reactions, and a THMC model with CO2 dissolution. In task Study of Instability in CO2 Dissolution-Diffusion-Convection Processes, We reviewed literature related to the study of density driven convective flows and on the instability of CO2 dissolution-diffusion-convection processes. We ran simulations that model the density-driven flow instability that would occur during CO2 sequestration. CO2 diffused through the top of the system and dissolved in the aqueous phase there, increasing its density. Density fingers formed along the top boundary, and coalesced into a few prominent ones, causing convective flow that forced the fluid to the system bottom. These simulations were in two and three dimensions. We ran additional simulations of convective mixing with density contrast caused by variable dissolved CO2 concentration in saline water, modeled after laboratory experiments in which supercritical CO2 was circulated in the headspace above a brine saturated packed sand in a pressure vessel. As CO2 dissolved into the upper part of the saturated sand, liquid phase density increases causing instability and setting off convective mixing. We obtained good agreement

  13. WIPP Transportation

    Broader source: All U.S. Department of Energy (DOE) Office Webpages (Extended Search)

    Transuranic Waste Transportation Container Documents Documents related to transuranic waste containers and packages. CBFO Tribal Program Information about WIPP shipments across tribal lands. Transportation Centralized Procurement Program - The Centralized Procurement Program provides a common method to procure standard items used in the packaging and handling of transuranic wasted destined for WIPP. Transuranic Waste Transportation Routes - A map showing transuranic waste generator sites and

  14. Desulfurization Sorbents for Transport-Bed Applications

    SciTech Connect (OSTI)

    Gupta, Raghubir P.; Turk, Brian S.; Vierheilig, Albert A.

    1997-07-01

    This project extends the prior work on the development of fluidizable zinc titanate particles using a spray-drying technique to impart high reactivity and attrition resistance. The specific objectives are: (1) To develop highly reactive and attrition-resistant zinc titanate sorbents in 40- to 150-{micro}m particle size range for transport reactor applications; (2) To transfer sorbent production technology to private sector; and (3) To provide technical support to Sierra Pacific Clean Coal Technology Demonstration plant and FETC's Hot-Gas Desulfurization Process Development Unit (PDU), both employing a transport reactor system.

  15. Large-Scale Transport Model Uncertainty and Sensitivity Analysis: Distributed Sources in Complex Hydrogeologic Systems

    SciTech Connect (OSTI)

    Sig Drellack, Lance Prothro

    2007-12-01

    The Underground Test Area (UGTA) Project of the U.S. Department of Energy, National Nuclear Security Administration Nevada Site Office is in the process of assessing and developing regulatory decision options based on modeling predictions of contaminant transport from underground testing of nuclear weapons at the Nevada Test Site (NTS). The UGTA Project is attempting to develop an effective modeling strategy that addresses and quantifies multiple components of uncertainty including natural variability, parameter uncertainty, conceptual/model uncertainty, and decision uncertainty in translating model results into regulatory requirements. The modeling task presents multiple unique challenges to the hydrological sciences as a result of the complex fractured and faulted hydrostratigraphy, the distributed locations of sources, the suite of reactive and non-reactive radionuclides, and uncertainty in conceptual models. Characterization of the hydrogeologic system is difficult and expensive because of deep groundwater in the arid desert setting and the large spatial setting of the NTS. Therefore, conceptual model uncertainty is partially addressed through the development of multiple alternative conceptual models of the hydrostratigraphic framework and multiple alternative models of recharge and discharge. Uncertainty in boundary conditions is assessed through development of alternative groundwater fluxes through multiple simulations using the regional groundwater flow model. Calibration of alternative models to heads and measured or inferred fluxes has not proven to provide clear measures of model quality. Therefore, model screening by comparison to independently-derived natural geochemical mixing targets through cluster analysis has also been invoked to evaluate differences between alternative conceptual models. Advancing multiple alternative flow models, sensitivity of transport predictions to parameter uncertainty is assessed through Monte Carlo simulations. The simulations are challenged by the distributed sources in each of the Corrective Action Units, by complex mass transfer processes, and by the size and complexity of the field-scale flow models. An efficient methodology utilizing particle tracking results and convolution integrals provides in situ concentrations appropriate for Monte Carlo analysis. Uncertainty in source releases and transport parameters including effective porosity, fracture apertures and spacing, matrix diffusion coefficients, sorption coefficients, and colloid load and mobility are considered. With the distributions of input uncertainties and output plume volumes, global analysis methods including stepwise regression, contingency table analysis, and classification tree analysis are used to develop sensitivity rankings of parameter uncertainties for each model considered, thus assisting a variety of decisions.

  16. Transportation Fuel Supply | NISAC

    Broader source: All U.S. Department of Energy (DOE) Office Webpages (Extended Search)

    SheetsTransportation Fuel Supply content top Transportation Fuel Supply

  17. Engine combustion control via fuel reactivity stratification

    DOE Patents [OSTI]

    Reitz, Rolf Deneys; Hanson, Reed M.; Splitter, Derek A.; Kokjohn, Sage L.

    2015-07-14

    A compression ignition engine uses two or more fuel charges having two or more reactivities to control the timing and duration of combustion. In a preferred implementation, a lower-reactivity fuel charge is injected or otherwise introduced into the combustion chamber, preferably sufficiently early that it becomes at least substantially homogeneously dispersed within the chamber before a subsequent injection is made. One or more subsequent injections of higher-reactivity fuel charges are then made, and these preferably distribute the higher-reactivity matter within the lower-reactivity chamber space such that combustion begins in the higher-reactivity regions, and with the lower-reactivity regions following thereafter. By appropriately choosing the reactivities of the charges, their relative amounts, and their timing, combustion can be tailored to achieve optimal power output (and thus fuel efficiency), at controlled temperatures (and thus controlled NOx), and with controlled equivalence ratios (and thus controlled soot).

  18. Engine combustion control via fuel reactivity stratification

    DOE Patents [OSTI]

    Reitz, Rolf Deneys; Hanson, Reed M; Splitter, Derek A; Kokjohn, Sage L

    2013-12-31

    A compression ignition engine uses two or more fuel charges having two or more reactivities to control the timing and duration of combustion. In a preferred implementation, a lower-reactivity fuel charge is injected or otherwise introduced into the combustion chamber, preferably sufficiently early that it becomes at least substantially homogeneously dispersed within the chamber before a subsequent injection is made. One or more subsequent injections of higher-reactivity fuel charges are then made, and these preferably distribute the higher-reactivity matter within the lower-reactivity chamber space such that combustion begins in the higher-reactivity regions, and with the lower-reactivity regions following thereafter. By appropriately choose the reactivities of the charges, their relative amounts, and their timing, combustion can be tailored to achieve optimal power output (and thus fuel efficiency), at controlled temperatures (and thus controlled NOx), and with controlled equivalence ratios (and thus controlled soot).

  19. Modeling Background Radiation in our Environment Using Geochemical Data

    SciTech Connect (OSTI)

    Malchow, Russell L.; Marsac, Kara; Burnley, Pamela; Hausrath, Elisabeth; Haber, Daniel; Adcock, Christopher

    2015-02-01

    Radiation occurs naturally in bedrock and soil. Gamma rays are released from the decay of the radioactive isotopes K, U, and Th. Gamma rays observed at the surface come from the first 30 cm of rock and soil. The energy of gamma rays is specific to each isotope, allowing identification. For this research, data was collected from national databases, private companies, scientific literature, and field work. Data points were then evaluated for self-consistency. A model was created by converting concentrations of U, K, and Th for each rock and soil unit into a ground exposure rate using the following equation: D=1.32 K+ 0.548 U+ 0.272 Th. The first objective of this research was to compare the original Aerial Measurement System gamma ray survey to results produced by the model. The second objective was to improve the method and learn the constraints of the model. Future work will include sample data analysis from field work with a goal of improving the geochemical model.

  20. A geochemical model of the Kilauea east rift zone | Open Energy...

    Open Energy Info (EERE)

    rift zone Jump to: navigation, search OpenEI Reference LibraryAdd to library Journal Article: A geochemical model of the Kilauea east rift zone Abstract NA Author Donald Thomas...

  1. Reduced-Order Model for the Geochemical Impacts of Carbon Dioxide...

    Office of Scientific and Technical Information (OSTI)

    Reduced-Order Model for the Geochemical Impacts of Carbon Dioxide, Brine and Trace Metal Leakage into an Unconfined, Oxidizing Carbonate Aquifer, Version 2.1 Bacon, Diana H. carbon...

  2. A Geological and Hydro-Geochemical Study of the Animas Geothermal...

    Open Energy Info (EERE)

    Hydro-Geochemical Study of the Animas Geothermal Area, Hidalgo County, New Mexico Jump to: navigation, search OpenEI Reference LibraryAdd to library Journal Article: A Geological...

  3. 31 TAC, part 1, chapter 9, rule 9.11 Geophysical and Geochemical...

    Open Energy Info (EERE)

    9, rule 9.11 Geophysical and Geochemical Exploration Permits Jump to: navigation, search OpenEI Reference LibraryAdd to library Legal Document- RegulationRegulation: 31 TAC, part...

  4. Merging high resolution geophysical and geochemical surveys to reduce exploration risk at Glass Buttes, Oregon

    Broader source: Energy.gov [DOE]

    DOE Geothermal Technologies Peer Review - 2010. The primary objective of this project is to combine a suite of high resolution geophysical and geochemical techniques to reduce exploration risk by characterizing hydrothermal alteration, fault geometries and relationships.

  5. Greening Transportation

    Broader source: All U.S. Department of Energy (DOE) Office Webpages (Extended Search)

    Transportation Goal 2: Greening Transportation LANL supports and encourages employees to reduce their personal greenhouse gas emissions by offering various commuting and work schedule options. Our goal is to reduce emissions related to employee travel and commuting to and from work by 13 percent. Energy Conservation» Efficient Water Use & Management» High Performance Sustainable Buildings» Greening Transportation» Green Purchasing & Green Technology» Pollution Prevention» Science

  6. Transportation Energy

    Broader source: All U.S. Department of Energy (DOE) Office Webpages (Extended Search)

    - Transportation Energyadmin2015-05-14T22:34:50+00:00 Transportation Energy The national-level objective for the future is to create a carbon-neutral fleet that is powered by low-carbon US sources. Sandia delivers advanced technologies and design tools to the broad transportation sector in the following areas: Predictive Simulation of Engines Fuel sprays and their transition from the liquid to gas phase and computationally tractable models that capture the physics of combustion. Convergence of

  7. Sustainable Transportation

    SciTech Connect (OSTI)

    2012-09-01

    This document highlights DOE's Office of Energy Efficiency and Renewable Energy's advancements in transportation technologies, alternative fuels, and fuel cell technologies.

  8. Reactive composite compositions and mat barriers

    DOE Patents [OSTI]

    Langton, Christine A. (Aiken, SC); Narasimhan, Rajendran (Evans, GA); Karraker, David G. (Aiken, SC)

    2001-01-01

    A hazardous material storage area has a reactive multi-layer composite mat which lines an opening into which a reactive backfill and hazardous material are placed. A water-inhibiting cap may cover the hazardous material storage area. The reactive multi-layer composite mat has a backing onto which is placed an active layer which will neutralize or stabilize hazardous waste and a fronting layer so that the active layer is between the fronting and backing layers. The reactive backfill has a reactive agent which can stabilize or neutralize hazardous material and inhibit the movement of the hazardous material through the hazardous material storage area.

  9. Geochemical Data Package for the 2005 Hanford Integrated Disposal Facility Performance Assessment

    SciTech Connect (OSTI)

    Krupka, Kenneth M.; Serne, R JEFFREY.; Kaplan, D I.

    2004-09-30

    CH2M HILL Hanford Group, Inc. (CH2M HILL) is designing and assessing the performance of an integrated disposal facility (IDF) to receive low-level waste (LLW), mixed low-level waste (MLLW), immobilized low-activity waste (ILAW), and failed or decommissioned melters. The CH2M HILL project to assess the performance of this disposal facility is the Hanford IDF Performance Assessment (PA) activity. The goal of the Hanford IDF PA activity is to provide a reasonable expectation that the disposal of the waste is protective of the general public, groundwater resources, air resources, surface-water resources, and inadvertent intruders. Achieving this goal will require prediction of contaminant migration from the facilities. This migration is expected to occur primarily via the movement of water through the facilities, and the consequent transport of dissolved contaminants in the vadose zone to groundwater where contaminants may be re-introduced to receptors via drinking water wells or mixing in the Columbia River. Pacific Northwest National Laboratory (PNNL) assists CH2M HILL in their performance assessment activities. One of the PNNL tasks is to provide estimates of the geochemical properties of the materials comprising the IDF, the disturbed region around the facility, and the physically undisturbed sediments below the facility (including the vadose zone sediments and the aquifer sediments in the upper unconfined aquifer). The geochemical properties are expressed as parameters that quantify the adsorption of contaminants and the solubility constraints that might apply for those contaminants that may exceed solubility constraints. The common parameters used to quantify adsorption and solubility are the distribution coefficient (Kd) and the thermodynamic solubility product (Ksp), respectively. In this data package, we approximate the solubility of contaminants using a more simplified construct, called the solution concentration limit, a constant value. The Kd values and solution concentration limits for each contaminant are direct inputs to subsurface flow and transport codes used to predict the performance of the IDF system. In addition to the best-estimate Kd values, a reasonable conservative value and a range are provided. The data package does not list estimates for the range in solubility limits or their uncertainty. However, the data package does provide different values for both the Kd values and solution concentration limits for different spatial zones in the IDF system and does supply time-varying Kd values for the cement solidified waste. The Kd values and solution concentration limits presented for each contaminant were previously presented in a report prepared by Kaplan and Serne (2000) for the 2001 ILAW PA, and have been updated to include applicable data from investigations completed since the issuance of that report and improvements in our understanding of the geochemistry specific to Hanford. A discussion is also included of the evolution of the Kd values recommended from the original 1999 ILAW PA through the 2001 ILAW and 2003 Supplement PAs to the current values to be used for the 2005 IDF PA for the key contaminants of concern: Cr(VI), nitrate, 129I, 79Se, 99Tc, and U(VI). This discussion provides the rationale for why certain Kd have changed with time.

  10. Geochemical Monitoring Considerations for the FutureGen 2.0 Project

    DOE Public Access Gateway for Energy & Science Beta (PAGES Beta)

    Amonette, James E.; Johnson, Timothy A.; Spencer, Clayton F.; Zhong, Lirong; Szecsody, James E.; Vermeul, Vince R.

    2014-12-31

    Geochemical monitoring is an essential component of a suite of monitoring technologies designed to evaluate CO2 mass balance and detect possible loss of containment at the FutureGen 2.0 geologic sequestration site near Jacksonville, IL. This presentation gives an overview of the potential geochemical approaches and tracer technologies that were considered, and describes the evaluation process by which the most cost-effective and robust of these were selected for implementation

  11. Final Scientific/Technical Report – DE-FG02-06ER64172 – Reaction-Based Reactive Transport Modeling of Iron Reduction and Uranium Immobilization at Area 2 of the NABIR Field Research Center – Subproject to Co-PI Eric E. Roden

    SciTech Connect (OSTI)

    Eric E. Roden

    2009-03-17

    This report summarizes research conducted in conjunction with a project entitled “Reaction-Based Reactive Transport Modeling of Iron Reduction and Uranium Immobilization at Area 2 of the NABIR Field Research Center”, which was funded through the Integrative Studies Element of the former NABIR Program (now the Environmental Remediation Sciences Program) within the Office of Biological and Environmental Research. Dr. William Burgos (The Pennsylvania State University) was the overall PI/PD for the project, which included Brian Dempsey (Penn State), Gour-Tsyh (George) Yeh (Central Florida University), and Eric Roden (formerly at The University of Alabama, now at the University of Wisconsin) as separately-funded co-PIs. The project focused on development of a mechanistic understanding and quantitative models of coupled Fe(III)/U(VI) reduction in FRC Area 2 sediments. The work builds on our previous studies of microbial Fe(III) and U(VI) reduction, and was directly aligned with the Scheibe et al. ORNL FRC Field Project at Area 2. Area 2 is a shallow pathway for migration of contaminated groundwater to seeps in the upper reach of Bear Creek at ORNL, mainly through a ca. 1 m thick layer of gravel located 4-5 m below the ground surface. The gravel layer is sandwiched between an overlying layer of disturbed fill material, and 2-3 m of undisturbed shale saprolite derived from the underlying Nolichucky Shale bedrock. The fill was put in place when contaminated soils were excavated and replaced by native saprolite from an uncontaminated area within Bear Creek Valley; the gravel layer was presumably installed prior to addition of the fill in order to provide a stable surface for the operation of heavy machinery. The undisturbed saprolite is highly weathered bedrock that has unconsolidated character but retains much of the bedding and fracture structure of the parent rock (shale with interbedded limestone). Hydrological tracer studies conducted during the Scheibe et al. field project indicate that the gravel layer receives input of uranium from both upstream sources and from diffusive mass transfer out of highly contaminated fill and saprolite materials above and below the gravel layer. This research sought to examine biogeochemical processes likely to take place in the less conductive materials above and below the gravel during the in situ ethanol biostimulation experiment conducted at Area 2 during 2005-2006. The in situ experiment in turn examined the hypothesis that injection of electron donor into this layer would induce formation of a redox barrier in the less conductive materials, resulting in decreased mass transfer of uranium out these materials and attendant declines in groundwater U(VI) concentration. Our research was directed toward the following three major objectives relevant to formation of this redox barrier: (1) elucidate the kinetics and mechanisms of reduction of solid-phase Fe(III) and U(VI) in Area 2 sediments; (2) evaluate the potential for long-term sustained U(IV) reductive immobilization in Area 2 sediments; (3) numerically simulate the suite of hydrobiogeochemical processes occurring in experimental systems so as to facilitate modeling of in situ U(IV) immobilization at the field-scale.

  12. Geochemical Impacts of Leaking CO2 from Subsurface Storage Reservoirs to an Unconfined Oxidizing Carbonate Aquifer

    SciTech Connect (OSTI)

    Wang, Guohui; Qafoku, Nikolla; Lawter, Amanda R.; Bowden, Mark E.; Harvey, Omar; Sullivan, E. C.; Brown, Christopher F.

    2015-07-15

    A series of batch and column experiments combined with solid phase characterization studies (i.e., quantitative x-ray diffraction and wet chemical extractions) were conducted to address a variety of scientific issues and evaluate the impacts of the potential leakage of carbon dioxide (CO2) from deep subsurface storage reservoirs. The main objective was to gain an understanding of how CO2 gas influences: 1) the aqueous phase pH; and 2) mobilization of major, minor, and trace elements from minerals present in an aquifer overlying potential CO2 sequestration subsurface repositories. Rocks and slightly weathered rocks representative of an unconfined, oxidizing carbonate aquifer within the continental US, i.e., the Edwards aquifer in Texas, were used in these studies. These materials were exposed to a CO2 gas stream or were leached with a CO2-saturated influent solution to simulate different CO2 gas leakage scenarios, and changes in aqueous phase pH and chemical composition were measured in the liquid samples collected at pre-determined experimental times (batch experiments) or continuously (column experiments). The results from the strong acid extraction tests confirmed that in addition to the usual elements present in most soils, rocks, and sediments, the Edward aquifer samples contain As, Cd, Pb, Cu, and occasionally Zn, which may potentially be mobilized from the solid to the aqueous phase during or after exposure to CO2. The results from the batch and column experiments confirmed the release of major chemical elements into the contacting aqueous phase (such as Ca, Mg, Ba, Sr, Si, Na, and K); the mobilization and possible rapid immobilization of minor elements (such as Fe, Al, and Mn), which are able to form highly reactive secondary phases; and sporadic mobilization of only low concentrations of trace elements (such as As, Cd, Pb, Cu, Zn, Mo, etc.). The results from this experimental research effort will help in developing a systematic understanding of how CO2 leakage is likely to influence pertinent geochemical processes (e.g., dissolution/precipitation, sorption/desorption) in the aquifer sediments and will support site selection, risk assessment, policy-making, and public education efforts associated with geologic carbon sequestration.

  13. GEOCHEMICAL INVESTIGATIONS OF CO?-BRINE-ROCK INTERACTIONS OF THE KNOX GROUP IN THE ILLINOIS BASIN

    SciTech Connect (OSTI)

    Yoksoulian, Lois; Berger, Peter; Freiburg, Jared; Butler, Shane; Leetaru, Hannes

    2014-09-30

    Increased output of greenhouse gases, particularly carbon dioxide (CO?), into the atmosphere from anthropogenic sources is of great concern. A potential technology to reduce CO? emissions is geologic carbon sequestration. This technology is currently being evaluated in the United States and throughout the world. The geology of the Illinois Basin exhibits outstanding potential as a carbon sequestration target, as demonstrated by the ongoing Illinois Basin Decatur Project that is using the Mt. Simon Sandstone reservoir and Eau Claire Shale seal system to store and contain 1 million tonnes of CO?. The Knox Group-Maquoketa Shale reservoir and seal system, located stratigraphically above the Mt. Simon Sandstone-Eau Claire Shale reservoir and seal system, has little economic value as a resource for fossil fuels or as a potable water source, making it ideal as a potential carbon sequestration target. In order for a reservoir-seal system to be effective, it must be able to contain the injected CO? without the potential for the release of harmful contaminants liberated by the reaction between CO?-formation fluids and reservoir and seal rocks. This study examines portions of the Knox Group (Potosi Dolomite, Gunter Sandstone, New Richmond Sandstone) and St. Peter Sandstone, and Maquoketa Shale from various locations around the Illinois Basin. A total of 14 rock and fluid samples were exposed to simulated sequestration conditions (91019860 kPa [13201430 psi] and 3242C [90 108F]) for varying amounts of time (6 hours to 4 months). Knox Group reservoir rocks exhibited dissolution of dolomite in the presence of CO? as indicated by petrographic examination, X-ray diffraction analysis, and fluid chemistry analysis. These reactions equilibrated rapidly, and geochemical modeling confirmed that these reactions reached equilibrium within the time frames of the experiments. Pre-reaction sample mineralogy and postreaction fluid geochemistry from this study suggests only limited potential for the release of United States Environmental Protection Agency regulated inorganic contaminants into potable water sources. Short-term core flood experiments further verify that the carbonate reactions occurring in Knox Group reservoir samples reach equilibrium rapidly. The core flood experiments also lend insight to pressure changes that may occur during CO? injection. The Maquoketa Shale experiments reveal that this rock is initially chemically reactive when in contact with CO? and brine. However, due to the conservative nature of silicate and clay reaction kinetics and the rapid equilibration of carbonate reactions that occur in the shale, these reactions would not present a significant risk to the competency of the shale as an effective seal rock.

  14. Geochemical characteristics of bitumens and seeps from Tanzania

    SciTech Connect (OSTI)

    Mpanju, F. ); Philp, P. )

    1991-03-01

    A number of bitumen extracts from prospective source rocks and oil seeps of potential oil-producing areas in Tanzania have been characterized by a variety of geochemical techniques. The data obtained from this study have provided additional insight into the source rock potential of these areas. However, in this paper it is proposed to discuss in detail the results from two of the more unusual samples in this region, namely Wingayongo and Pemba. The Wingayongo bitumens isolated from an exposed Neocomian-aged sandstone, possibly a paleoreservoir, are almost totally devoid of n-alkanes and steranes and dominated by hopane-type biomarkers with the so-called immature {beta}{beta}-stereochemistry at the C{sub 17} and C{sub 21} positions. There is no typical evidence of biodegradation having occurred leading to the proposal of an unusual source material or maturity history for this sample. The Pemba seep samples were also characterized by relatively high concentrations of hopanes with the immature stereochemistry at the C{sub 17} and C{sub 21} positions and a virtual absence of n-alkanes and steranes. The aromatic fractions contained relatively high concentrations of hopanic acids, with the immature stereochemistry at C{sub 17} and C{sub 21} positions and a virtual absence of n-alkanes and steranes. The aromatic fractions contained relatively high concentrations of hopanic acids, with the immature stereochemistry at C{sub 17} and C{sub 21}. On the basis of these data, it is proposed that the seeps in the Pemba region are not true oil seeps. Rather they are formed as a result of extremely high levels of bacterial activity with the bacteria utilizing natural gas in the region as the substrate. The net result is a material referred to in other areas of the world as paraffin dirt whose occurrence results from extensive microbial activity in the region and not directly from seepage of products having a thermal origin.

  15. Natural bacterial communities serve as quantitative geochemical biosensors

    SciTech Connect (OSTI)

    Smith, Mark B.; Rocha, Andrea M.; Smillie, Chris S.; Olesen, Scott W.; Paradis, Charles; Wu, Liyou; Campbell, James H.; Fortney, Julian L.; Mehlhorn, Tonia L.; Lowe, Kenneth A.; Earles, Jennifer E.; Phillips, Jana; Techtmann, Steve M.; Joyner, Dominique C.; Elias, Dwayne A.; Bailey, Kathryn L.; Hurt, Richard A.; Preheim, Sarah P.; Sanders, Matthew C.; Yang, Joy; Mueller, Marcella A.; Brooks, Scott; Watson, David B.; Zhang, Ping; He, Zhili; Dubinsky, Eric A.; Adams, Paul D.; Arkin, Adam P.; Fields, Matthew W.; Zhou, Jizhong; Alm, Eric J.; Hazen, Terry C.

    2015-05-12

    Biological sensors can be engineered to measure a wide range of environmental conditions. Here we show that statistical analysis of DNA from natural microbial communities can be used to accurately identify environmental contaminants, including uranium and nitrate at a nuclear waste site. In addition to contamination, sequence data from the 16S rRNA gene alone can quantitatively predict a rich catalogue of 26 geochemical features collected from 93 wells with highly differing geochemistry characteristics. We extend this approach to identify sites contaminated with hydrocarbons from the Deepwater Horizon oil spill, finding that altered bacterial communities encode a memory of prior contamination, even after the contaminants themselves have been fully degraded. We show that the bacterial strains that are most useful for detecting oil and uranium are known to interact with these substrates, indicating that this statistical approach uncovers ecologically meaningful interactions consistent with previous experimental observations. Future efforts should focus on evaluating the geographical generalizability of these associations. Taken as a whole, these results indicate that ubiquitous, natural bacterial communities can be used as in situ environmental sensors that respond to and capture perturbations caused by human impacts. These in situ biosensors rely on environmental selection rather than directed engineering, and so this approach could be rapidly deployed and scaled as sequencing technology continues to become faster, simpler, and less expensive. Here we show that DNA from natural bacterial communities can be used as a quantitative biosensor to accurately distinguish unpolluted sites from those contaminated with uranium, nitrate, or oil. These results indicate that bacterial communities can be used as environmental sensors that respond to and capture perturbations caused by human impacts.

  16. Natural bacterial communities serve as quantitative geochemical biosensors

    DOE Public Access Gateway for Energy & Science Beta (PAGES Beta)

    Smith, Mark B.; Rocha, Andrea M.; Smillie, Chris S.; Olesen, Scott W.; Paradis, Charles; Wu, Liyou; Campbell, James H.; Fortney, Julian L.; Mehlhorn, Tonia L.; Lowe, Kenneth A.; et al

    2015-05-12

    Biological sensors can be engineered to measure a wide range of environmental conditions. Here we show that statistical analysis of DNA from natural microbial communities can be used to accurately identify environmental contaminants, including uranium and nitrate at a nuclear waste site. In addition to contamination, sequence data from the 16S rRNA gene alone can quantitatively predict a rich catalogue of 26 geochemical features collected from 93 wells with highly differing geochemistry characteristics. We extend this approach to identify sites contaminated with hydrocarbons from the Deepwater Horizon oil spill, finding that altered bacterial communities encode a memory of prior contamination,more » even after the contaminants themselves have been fully degraded. We show that the bacterial strains that are most useful for detecting oil and uranium are known to interact with these substrates, indicating that this statistical approach uncovers ecologically meaningful interactions consistent with previous experimental observations. Future efforts should focus on evaluating the geographical generalizability of these associations. Taken as a whole, these results indicate that ubiquitous, natural bacterial communities can be used as in situ environmental sensors that respond to and capture perturbations caused by human impacts. These in situ biosensors rely on environmental selection rather than directed engineering, and so this approach could be rapidly deployed and scaled as sequencing technology continues to become faster, simpler, and less expensive. Here we show that DNA from natural bacterial communities can be used as a quantitative biosensor to accurately distinguish unpolluted sites from those contaminated with uranium, nitrate, or oil. These results indicate that bacterial communities can be used as environmental sensors that respond to and capture perturbations caused by human impacts.« less

  17. Final Report: Molecular Basis for Microbial Adhesion and Geochemical Surface Reactions: A Study Across Scales

    SciTech Connect (OSTI)

    Dixon, David Adams

    2013-06-27

    Computational chemistry was used to help provide a molecular level description of the interactions of Gram-negative microbial membranes with subsurface materials. The goal is to develop a better understanding of the molecular processes involved in microbial metal binding, microbial attachment to mineral surfaces, and, eventually, oxidation/reduction reactions (electron transfer) that can occur at these surfaces and are mediated by the bacterial exterior surface. The project focused on the interaction of the outer microbial membrane, which is dominated by an exterior lipopolysaccharide (LPS) portion, of Pseudomonas aeruginosa with the mineral goethite and with solvated ions in the environment. This was originally a collaborative project with T.P. Straatsma and B. Lowery of the Pacific Northwest National Laboratory. The University of Alabama effort used electronic structure calculations to predict the molecular behavior of ions in solution and the behavior of the sugars which form a critical part of the LPS. The interactions of the sugars with metal ions are expected to dominate much of the microscopic structure and transport phenomena in the LPS. This work, in combination with the molecular dynamics simulations of Straatsma and the experimental electrochemistry and microscopy measurements of Lowry, both at PNNL, is providing new insights into the detailed molecular behavior of these membranes in geochemical environments. The effort at The University of Alabama has three components: solvation energies and structures of ions in solution, prediction of the acidity of the critical groups in the sugars in the LPS, and binding of metal ions to the sugar anions. An important aspect of the structure of the LPS membrane as well as ion transport in the LPS is the ability of the sugar side groups such as the carboxylic acids and the phosphates to bind positively charged ions. We are studying the acidity of the acidic side groups in order to better understand the ability of these groups to bind metal ions. We need to understand the solvation properties of the metal ions in solution and their ability to bind not only to the sugars but to proteins and to other anions. Our goal is then to be able to predict the ability of the side groups to bind metal ions. One result from the earlier molecular dynamics simulations is the exclusion of water from the inner hydrophobic part of the membrane. We thus need to investigate the binding of the cations in media with different dielectric constants.

  18. Layered reactive particles with controlled geometries, energies, and reactivities, and methods for making the same

    DOE Patents [OSTI]

    Fritz, Gregory M; Knepper, Robert Allen; Weihs, Timothy P; Gash, Alexander E; Sze, John S

    2013-04-30

    An energetic composite having a plurality of reactive particles each having a reactive multilayer construction formed by successively depositing reactive layers on a rod-shaped substrate having a longitudinal axis, dividing the reactive-layer-deposited rod-shaped substrate into a plurality of substantially uniform longitudinal segments, and removing the rod-shaped substrate from the longitudinal segments, so that the reactive particles have a controlled, substantially uniform, cylindrically curved or otherwise rod-contoured geometry which facilitates handling and improves its packing fraction, while the reactant multilayer construction controls the stability, reactivity and energy density of the energetic composite.

  19. Permeable Reactive Barriers | Department of Energy

    Office of Energy Efficiency and Renewable Energy (EERE) Indexed Site

    Permeable Reactive Barriers Permeable Reactive Barriers Permeable Reactive Barrier Field Projects Durango, Colorado Durango, Colorado DOE installed a PRB in October 1995 to treat ground water from a uranium mill tailings disposal site at Durango, Colorado Read more Cañon City, Colorado Cañon City, Colorado ESL personnel conduct tests and help evaluate performance at other PRB sites, such as Cotter Corporation's Cañon City site in Colorado. Read more Monticello, Utah Monticello, Utah

  20. Shock Desensitization Experiments and Reactive Flow Modeling...

    Office of Scientific and Technical Information (OSTI)

    Shock Desensitization Experiments and Reactive Flow Modeling on Self-Sustaining LX-17 Detonation Waves Citation Details In-Document Search Title: Shock Desensitization Experiments ...

  1. Rejuvenating Permeable Reactive Barriers by Chemical Flushing

    Broader source: Energy.gov [DOE]

    Final Report:Rejuvenating Permeable Reactive Barriers by Chemical Flushing,U.S. Environmental Protection Agency, Region 8 Support.August 2004

  2. Method for reactivating catalysts and a method for recycling supercritical fluids used to reactivate the catalysts

    DOE Patents [OSTI]

    Ginosar, Daniel M. (Idaho Falls, ID); Thompson, David N. (Idaho Falls, ID); Anderson, Raymond P. (Idaho Falls, ID)

    2008-08-05

    A method of reactivating a catalyst, such as a solid catalyst or a liquid catalyst. The method comprises providing a catalyst that is at least partially deactivated by fouling agents. The catalyst is contacted with a fluid reactivating agent that is at or above a critical point of the fluid reactivating agent and is of sufficient density to dissolve impurities. The fluid reactivating agent reacts with at least one fouling agent, releasing the at least one fouling agent from the catalyst. The at least one fouling agent becomes dissolved in the fluid reactivating agent and is subsequently separated or removed from the fluid reactivating agent so that the fluid reactivating agent may be reused. A system for reactivating a catalyst is also disclosed.

  3. OXYGEN TRANSPORT CERAMIC MEMBRANES

    SciTech Connect (OSTI)

    Dr. Sukumar Bandopadhyay; Dr. Nagendra Nagabhushana

    2000-10-01

    This is the third quarterly report on oxygen Transport Ceramic Membranes. In the following, the report describes the progress made by our university partners in Tasks 1 through 6, experimental apparatus that was designed and built for various tasks of this project, thermodynamic calculations, where applicable and work planned for the future. (Task 1) Design, fabricate and evaluate ceramic to metal seals based on graded ceramic powder/metal braze joints. (Task 2) Evaluate the effect of defect configuration on ceramic membrane conductivity and long term chemical and structural stability. (Task 3) Determine materials mechanical properties under conditions of high temperatures and reactive atmospheres. (Task 4) Evaluate phase stability and thermal expansion of candidate perovskite membranes and develop techniques to support these materials on porous metal structures. (Task 5) Assess the microstructure of membrane materials to evaluate the effects of vacancy-impurity association, defect clusters, and vacancy-dopant association on the membrane performance and stability. (Task 6) Measure kinetics of oxygen uptake and transport in ceramic membrane materials under commercially relevant conditions using isotope labeling techniques.

  4. Soil Iodine Determination in Deccan Syneclise, India: Implications for Near Surface Geochemical Hydrocarbon Prospecting

    SciTech Connect (OSTI)

    Mani, Devleena; Kumar, T. Satish; Rasheed, M. A.; Patil, D. J.; Dayal, A. M.; Rao, T. Gnaneshwar; Balaram, V.

    2011-03-15

    The association of iodine with organic matter in sedimentary basins is well documented. High iodine concentration in soils overlying oil and gas fields and areas with hydrocarbon microseepage has been observed and used as a geochemical exploratory tool for hydrocarbons in a few studies. In this study, we measure iodine concentration in soil samples collected from parts of Deccan Syneclise in the west central India to investigate its potential application as a geochemical indicator for hydrocarbons. The Deccan Syneclise consists of rifted depositional sites with Gondwana-Mesozoic sediments up to 3.5 km concealed under the Deccan Traps and is considered prospective for hydrocarbons. The concentration of iodine in soil samples is determined using ICP-MS and the values range between 1.1 and 19.3 ppm. High iodine values are characteristic of the northern part of the sampled region. The total organic carbon (TOC) content of the soil samples range between 0.1 and 1.3%. The TOC correlates poorly with the soil iodine (r{sup 2} < 1), indicating a lack of association of iodine with the surficial organic matter and the possibility of interaction between the seeping hydrocarbons and soil iodine. Further, the distribution pattern of iodine compares well with two surface geochemical indicators: the adsorbed light gaseous hydrocarbons (methane through butane) and the propane-oxidizing bacterial populations in the soil. The integration of geochemical observations show the occurrence of elevated values in the northern part of the study area, which is also coincident with the presence of exposed dyke swarms that probably serve as conduits for hydrocarbon microseepage. The corroboration of iodine with existing geological, geophysical, and geochemical data suggests its efficacy as one of the potential tool in surface geochemical exploration of hydrocarbons. Our study supports Deccan Syneclise to be promising in terms of its hydrocarbon prospects.

  5. General Reactive Atomistic Simulation Program

    Energy Science and Technology Software Center (OSTI)

    2004-09-22

    GRASP (General Reactive Atomistic Simulation Program) is primarily intended as a molecular dynamics package for complex force fields, The code is designed to provide good performance for large systems, either in parallel or serial execution mode, The primary purpose of the code is to realistically represent the structural and dynamic properties of large number of atoms on timescales ranging from picoseconds up to a microsecond. Typically the atoms form a representative sample of some material,more » such as an interface between polycrystalline silicon and amorphous silica. GRASP differs from other parallel molecular dynamics codes primarily due to it’s ability to handle relatively complicated interaction potentials and it’s ability to use more than one interaction potential in a single simulation. Most of the computational effort goes into the calculation of interatomic forces, which depend in a complicated way on the positions of all the atoms. The forces are used to integrate the equations of motion forward in time using the so-called velocity Verlet integration scheme. Alternatively, the forces can be used to find a minimum energy configuration, in which case a modified steepest descent algorithm is used.« less

  6. Internal neutronics-temperature coupling in Serpent 2 - Reactivity differences resulting from choice of material property correlations

    SciTech Connect (OSTI)

    Valtavirta, V. [VTT Technical Research Centre of Finland, P.O. Box 1000, FI-02044 VTT (Finland)

    2013-07-01

    This paper describes the unique way of simultaneously solving the power and temperature distributions of a nuclear system with the Monte Carlo neutron transport code Serpent 2. The coupled solution is achieved through the implementation of an internal temperature solver and material property correlations in the code. The program structure is reviewed concerning the temperature solver and the internal correlations as well as the internal coupling between these two and the neutron transport part. To estimate the reactivity differences resulting from correlation choices a simple pin-cell case has been calculated. It is established, that some correlation choices may result in difference in reactivity of approximately 100 pcm. (authors)

  7. Modeling Studies on the Transport of Benzene and H2S in CO2-Water Systems

    SciTech Connect (OSTI)

    Zheng, L.; Spycher, N.; Xu, T.; Apps, J.; Kharaka, Y.; Birkholzer, J.T.

    2010-11-05

    In this study, reactive transport simulations were used to assess the mobilization and transport of organics with supercritical CO{sub 2} (SCC), and the co-injection and transport of H{sub 2}S with SCC. These processes were evaluated at conditions of typical storage reservoirs, and for cases of hypothetical leakage from a reservoir to an overlying shallower fresh water aquifer. Modeling capabilities were developed to allow the simulation of multiphase flow and transport of H{sub 2}O, CO{sub 2}, H{sub 2}S, as well as specific organic compounds (benzene), coupled with multicomponent geochemical reaction and transport. This included the development of a new simulator, TMVOC-REACT, starting from existing modules of the TOUGH2 family of codes. This work also included an extensive literature review, calculation, and testing of phase-partitioning properties for mixtures of the phases considered. The reactive transport simulations presented in this report are primarily intended to illustrate the capabilities of the new simulator. They are also intended to help evaluate and understand various processes at play, in a more qualitative than quantitative manner, and only for hypothetical scenarios. Therefore, model results are not intended as realistic assessments of groundwater quality changes for specific locations, and they certainly do not provide an exhaustive evaluation of all possible site conditions, especially given the large variability and uncertainty in hydrogeologic and geochemical parameter input into simulations. The first step in evaluating the potential mobilization and transport of organics was the identification of compounds likely to be present in deep storage formations, and likely to negatively impact freshwater aquifers if mobilized by SCC. On the basis of a literature review related to the occurrence of these organic compounds, their solubility in water and SCC, and their toxicity (as reflected by their maximum contaminant levels MCL), benzene was selected as a key compound for inclusion into numerical simulations. Note that considering additional organic compounds and/or mixtures of such compounds in the simulations was beyond the scope of this study, because of the effort required to research, calculate, and validate the phase-partitioning data necessary for simulations. The injection of CO{sub 2} into a deep saline aquifer was simulated, followed by modeling the leaching of benzene by SCC and transport of benzene to an overlying aquifer along a hypothetical leakage pathway. One- and two-dimensional models were set up for this purpose. The target storage formation was assumed to initially contain about 10{sup -4} ppm benzene. Model results indicate that: (1) SCC efficiently extracts benzene from the storage formation. (2) Assuming equilibrium, the content of benzene in SCC is roportional to the concentration of benzene in the aqueous and solid phases. (3) Benzene may co-migrate with CO{sub 2} into overlying aquifers if a leakage pathway is present. Because the aqueous solubility of benzene in contact with CO{sub 2} is lower than the aqueous solubility of CO{sub 2}, benzene is actually enriched in the CO{sub 2} phase as the plume advances. (4) For the case studied here, the resulting aqueous benzene concentration in the overlying aquifer is on the same order of magnitude as the initial concentration in the storage formation. This generic modeling study illustrates, in a semi-quantitative manner, the possible mobilization of benzene by SCC. The extent to which the mobilization of this organic compound evolves temporally and spatially depends on a large number of controlling parameters and is largely site specific. Therefore, for more 'truly' predictive work, further sensitivity studies should be conducted, and further modeling should be integrated with site-specific laboratory and/or field experimental data. The co-injection of H{sub 2}S with CO{sub 2} into a deep saline aquifer was also simulated. In addition, the model considered leakage of the supercritical CO{sub 2}+H{sub 2}S mixture along a preferential p

  8. Gamma Survey of a Permeable Reactive Barrier at Monticello, Utah |

    Office of Environmental Management (EM)

    Department of Energy Gamma Survey of a Permeable Reactive Barrier at Monticello, Utah Gamma Survey of a Permeable Reactive Barrier at Monticello, Utah Gamma Survey of a Permeable Reactive Barrier at Monticello, Utah PDF icon Gamma Survey of a Permeable Reactive Barrier at Monticello, Utah More Documents & Publications Third (March 2006) Coring and Analysis of Zero-Valent Iron Permeable Reactive Barrier, Monticello, Utah Hydraulic Conductivity of the Monticello Permeable Reactive Barrier

  9. Reactivity control assembly for nuclear reactor

    DOE Patents [OSTI]

    Bollinger, Lawrence R. (Schenectady, NY)

    1984-01-01

    Reactivity control assembly for nuclear reactor comprises supports stacked above reactor core for holding control rods. Couplers associated with the supports and a vertically movable drive shaft have lugs at their lower ends for engagement with the supports.

  10. Groundwater well with reactive filter pack

    DOE Patents [OSTI]

    Gilmore, T.J.; Holdren, G.R. Jr.; Kaplan, D.I.

    1998-09-08

    A method and apparatus are disclosed for the remediation of contaminated soil and ground water wherein a reactive pack material is added to the annular fill material utilized in standard well construction techniques. 3 figs.

  11. Groundwater well with reactive filter pack

    DOE Patents [OSTI]

    Gilmore, Tyler J.; Holdren, Jr., George R.; Kaplan, Daniel I.

    1998-01-01

    A method and apparatus for the remediation of contaminated soil and ground water wherein a reactive pack material is added to the annular fill material utilized in standard well construction techniques.

  12. Characterization of Dual-Fuel Reactivity Controlled Compression...

    Office of Energy Efficiency and Renewable Energy (EERE) Indexed Site

    Dual-Fuel Reactivity Controlled Compression Ignition (RCCI) Using Hydrated Ethanol and Diesel Fuel Characterization of Dual-Fuel Reactivity Controlled Compression Ignition (RCCI)...

  13. Light-Duty Reactivity Controlled Compression Ignition Drive Cycle...

    Office of Energy Efficiency and Renewable Energy (EERE) Indexed Site

    Light-Duty Reactivity Controlled Compression Ignition Drive Cycle Fuel Economy and Emissions Estimates Light-Duty Reactivity Controlled Compression Ignition Drive Cycle Fuel ...

  14. Reactivity of Ozone with Solid Potassium Iodide Investigated...

    Office of Scientific and Technical Information (OSTI)

    Reactivity of Ozone with Solid Potassium Iodide Investigated by Atomic Force Microscopy Citation Details In-Document Search Title: Reactivity of Ozone with Solid Potassium...

  15. On Perturbation Components Correspondence between Diffusion and Transport

    SciTech Connect (OSTI)

    G. Palmiotti

    2012-11-01

    We have established a correspondence between perturbation components in diffusion and transport theory. In particular we have established the correspondence between the leakage perturbation component of the diffusion theory to that of the group self scattering in transport theory. This has been confirmed by practical applications on sodium void reactivity calculations of fast reactors. Why this is important for current investigations? Recently, there has been a renewed interest in designing fast reactors where the sodium void reactivity coefficient is minimized. In particular the ASTRID8,9 reactor concept has been optimized with this goal in mind. The correspondence on the leakage term that has been established here has a twofold implication for the design of this kind of reactors. First, this type of reactor has a radial reflector; therefore, as shown before, the sodium void reactivity coefficient calculation requires the use of transport theory. The minimization of the sodium reactivity coefficient is normally done by increasing the leakage component that has a negative sign. The correspondence established in this paper allows to directly look at this component in transport theory. The second implication is related to the uncertainty evaluation on sodium void reactivity. As it has shown before, the total sodium void reactivity effect is the result of a large compensation (opposite sign) between the scattering (called often spectral) component and the leakage one. Consequently, one has to evaluate separately the uncertainty on each separate component and then combine them statistically. If one wants to compute the cross section sensitivity coefficients of the two different components, the formulation established in this paper allows to achieve this goal by playing on the contribution to the sodium void reactivity coming from the group self scattering of the sodium cross section.

  16. Geochemical and isotopic results for groundwater, drainage waters, snowmelt, permafrost, precipitation in Barrow, Alaska (USA) 2012-2013

    DOE Data Explorer [Office of Scientific and Technical Information (OSTI)]

    Wilson, Cathy; Newman, Brent; Heikoop, Jeff

    Data include a large suite of analytes (geochemical and isotopic) for samples collected in Barrow, Alaska (2012-2013). Sample types are indicated, and include soil pore waters, drainage waters, snowmelt, precipitation, and permafrost samples.

  17. Geochemical and isotopic results for groundwater, drainage waters, snowmelt, permafrost, precipitation in Barrow, Alaska (USA) 2012-2013

    DOE Data Explorer [Office of Scientific and Technical Information (OSTI)]

    Wilson, Cathy; Newman, Brent; Heikoop, Jeff

    2012-07-18

    Data include a large suite of analytes (geochemical and isotopic) for samples collected in Barrow, Alaska (2012-2013). Sample types are indicated, and include soil pore waters, drainage waters, snowmelt, precipitation, and permafrost samples.

  18. Kinetics of Uranium(VI) Desorption from Contaminated Sediments: Effect of Geochemical Conditions and Model Evaluation

    SciTech Connect (OSTI)

    Liu, Chongxuan; Shi, Zhenqing; Zachara, John M.

    2009-09-01

    Stirred-flow cell experiments were performed to investigate the kinetics of uranyl [U(VI)] desorption from a contaminated sediment collected from the Hanford 300 Area at the US Department of Energy (DOE) Hanford Site, Washington. Three influent solutions of variable pH, Ca and carbonate concentrations that affected U(VI) aqueous and surface speciation were used under dynamic flow conditions to evaluate the effect of geochemical conditions on the rate of U(VI) desorption. The measured rate of U(VI) desorption varied with solution chemical composition that evolved as a result of thermodynamic and kinetic interactions between the influent solutions and sediment. The solution chemical composition that led to a lower equilibrium U(VI) sorption to the solid phase yielded a faster desorption rate. The experimental results were used to evaluate a multi-rate, surface complexation model (SCM) that has been proposed to describe U(VI) desorption kinetics in the Hanford sediment that contained complex sorbed U(VI) species in mass transfer limited domains. The model was modified and supplemented by including multi-rate, ion exchange reactions to describe the geochemical interactions between the solutions and sediment. With the same set of model parameters, the modified model reasonably well described the evolution of major ions and the rates of U(VI) desorption under variable geochemical and flow conditions, implying that the multi-rate SCM is an effective way to describe U(VI) desorption kinetics in subsurface sediments.

  19. Water reactive hydrogen fuel cell power system

    DOE Patents [OSTI]

    Wallace, Andrew P; Melack, John M; Lefenfeld, Michael

    2014-11-25

    A water reactive hydrogen fueled power system includes devices and methods to combine reactant fuel materials and aqueous solutions to generate hydrogen. The generated hydrogen is converted in a fuel cell to provide electricity. The water reactive hydrogen fueled power system includes a fuel cell, a water feed tray, and a fuel cartridge to generate power for portable power electronics. The removable fuel cartridge is encompassed by the water feed tray and fuel cell. The water feed tray is refillable with water by a user. The water is then transferred from the water feed tray into the fuel cartridge to generate hydrogen for the fuel cell which then produces power for the user.

  20. Water reactive hydrogen fuel cell power system

    DOE Patents [OSTI]

    Wallace, Andrew P; Melack, John M; Lefenfeld, Michael

    2014-01-21

    A water reactive hydrogen fueled power system includes devices and methods to combine reactant fuel materials and aqueous solutions to generate hydrogen. The generated hydrogen is converted in a fuel cell to provide electricity. The water reactive hydrogen fueled power system includes a fuel cell, a water feed tray, and a fuel cartridge to generate power for portable power electronics. The removable fuel cartridge is encompassed by the water feed tray and fuel cell. The water feed tray is refillable with water by a user. The water is then transferred from the water feed tray into a fuel cartridge to generate hydrogen for the fuel cell which then produces power for the user.

  1. Groundwater geochemical modeling and simulation of a breached high-level radioactive waste repository in the northern Tularosa Basin, New Mexico

    SciTech Connect (OSTI)

    Chappell, R.W.

    1989-01-01

    The northern Tularosa Basin in south-central New Mexico was ranked favorably as a potential location for a high-level radioactive waste repository by a US Geological Survey pilot screening study of the Basin and Range Province. The favorable ranking was based chiefly on hydrogeologic and descriptive geochemical evidence. A goal of this study was to develop a methodology for predicting the performance of this or any other basin as a potential repository site using geochemical methods. The approach involves first characterizing the groundwater geochemistry, both chemically and isotopically, and reconstructing the probable evolutionary history of, and controls on the ground water chemistry through modeling. In the second phase of the approach, a hypothetically breached repository is introduced into the system, and the mobility of the parent radionuclide, uranium, in the groundwater is predicted. Possible retardation of uranium transport in the downgradient flow direction from the repository by adsorption and mineral precipitation is then considered. The Permian Yeso Formation, the primary aquifer in the northern Tularosa Basin, was selected for study, development and testing of the methodology outlined above. The Yeso Formation contains abundant gypsum and related evaporite minerals, which impart a distinctive chemical signature to the ground water. Ground water data and solubility calculations indicate a conceptual model of irreversible gypsum and dolomite dissolution with concomitant calcite precipitation. Recharge areas are apparent from temperature, {delta}{sup 18}O and {delta}{sup 2} H, and {sup 3}H trends in the aquifer. Corrected {sup 14}C ages range between modern and 31,200 years, and suggest an average ground water velocity of 0.83 m/yr.

  2. Method For Reactivating Solid Catalysts Used For Alklation Reactions

    DOE Patents [OSTI]

    Ginosar, Daniel M. (Idaho Falls, ID); Thompson, David N. (Idaho Falls, ID); Coates, Kyle (Shelley, ID); Zalewski, David J. (Proctorville, OH); Fox, Robert V. (Idaho Falls, ID)

    2005-05-03

    A method for reactivating a solid alkylation catalyst is provided which can be performed within a reactor that contains the alkylation catalyst or outside the reactor. Effective catalyst reactivation is achieved whether the catalyst is completely deactivated or partially deactivated. A fluid reactivating agent is employed to dissolve catalyst fouling agents and also to react with such agents and carry away the reaction products. The deactivated catalyst is contacted with the fluid reactivating agent under pressure and temperature conditions such that the fluid reactivating agent is dense enough to effectively dissolve the fouling agents and any reaction products of the fouling agents and the reactivating agent. Useful pressures and temperatures for reactivation include near-critical, critical, and supercritical pressures and temperatures for the reactivating agent. The fluid reactivating agent can include, for example, a branched paraffin containing at least one tertiary carbon atom, or a compound that can be isomerized to a molecule containing at least one tertiary carbon atom.

  3. Method for reactivating solid catalysts used in alkylation reactions

    DOE Patents [OSTI]

    Ginosar, Daniel M.; Thompson, David N.; Coates, Kyle; Zalewski, David J.; Fox, Robert V.

    2003-06-17

    A method for reactivating a solid alkylation catalyst is provided which can be performed within a reactor that contains the alkylation catalyst or outside the reactor. Effective catalyst reactivation is achieved whether the catalyst is completely deactivated or partially deactivated. A fluid reactivating agent is employed to dissolve catalyst fouling agents and also to react with such agents and carry away the reaction products. The deactivated catalyst is contacted with the fluid reactivating agent under pressure and temperature conditions such that the fluid reactivating agent is dense enough to effectively dissolve the fouling agents and any reaction products of the fouling agents and the reactivating agent. Useful pressures and temperatures for reactivation include near-critical, critical, and supercritical pressures and temperatures for the reactivating agent. The fluid reactivating agent can include, for example, a branched paraffin containing at least one tertiary carbon atom, or a compound that can be isomerized to a molecule containing at least one tertiary carbon atom.

  4. Neutron Radiography Reactor Reactivity -- Focused Lessons Learned

    SciTech Connect (OSTI)

    Eric Woolstenhulme; Randal Damiana; Kenneth Schreck; Ann Marie Phillips; Dana Hewit

    2010-11-01

    As part of the Global Threat Reduction Initiative, the Neutron Radiography Reactor (NRAD) at the Idaho National Laboratory (INL) was converted from using highly enriched uranium (HEU) to low enriched uranium (LEU) fuel. After the conversion, NRAD resumed operations and is meeting operational requirements. Radiography image quality and the number of images that can be produced in a given time frame match pre-conversion capabilities. However, following the conversion, NRADs excess reactivity with the LEU fuel was less than it had been with the HEU fuel. Although some differences between model predictions and actual performance are to be expected, the lack of flexibility in NRADs safety documentation prevented adjusting the reactivity by adding more fuel, until the safety documentation could be modified. To aid future reactor conversions, a reactivity-focused Lessons Learned meeting was held. This report summarizes the findings of the lessons learned meeting and addresses specific questions posed by DOE regarding NRADs conversion and reactivity.

  5. Transportation Systems Modeling

    Broader source: All U.S. Department of Energy (DOE) Office Webpages (Extended Search)

    TRACC RESEARCH Computational Fluid Dynamics Computational Structural Mechanics Transportation Systems Modeling TRANSPORTATION SYSTEMS MODELING Overview of TSM Transportation systems modeling research at TRACC uses the TRANSIMS (Transportation Analysis SIMulation System) traffic micro simulation code developed by the U.S. Department of Transportation (USDOT). The TRANSIMS code represents the latest generation of traffic simulation codes developed jointly under multiyear programs by USDOT, the

  6. Control rod calibration and reactivity effects at the IPEN/MB-01 reactor

    SciTech Connect (OSTI)

    Pinto, Letcia Negro; Gonnelli, Eduardo; Santos, Adimir dos

    2014-11-11

    Researches that aim to improve the performance of neutron transport codes and quality of nuclear cross section databases are very important to increase the accuracy of simulations and the quality of the analysis and prediction of phenomena in the nuclear field. In this context, relevant experimental data such as reactivity worth measurements are needed. Control rods may be made of several neutron absorbing materials that are used to adjust the reactivity of the core. For the reactor operation, these experimental data are also extremely important: with them it is possible to estimate the reactivity worth by the movement of the control rod, understand the reactor response at each rod position and to operate the reactor safely. This work presents a temperature correction approach for the control rod calibration problem. It is shown the control rod calibration data of the IPEN/MB-01 reactor, the integral and differential reactivity curves and a theoretical analysis, performed by the MCNP-5 reactor physics code, developed and maintained by Los Alamos National Laboratory, using the ENDF/B-VII.0 nuclear data library.

  7. TOUGHREACT: A Simulation Program for Non-isothermal Multiphase...

    Office of Scientific and Technical Information (OSTI)

    ... Journal of Geophysical Research, v. 106 (B2), p. 2121-2138. Xu, T., Pruess, K., 2001b. ... and reactive geochemical transport in variably saturated fractured rocks: 1. Methodology. ...

  8. NREL: Transportation Research - News

    Broader source: All U.S. Department of Energy (DOE) Office Webpages (Extended Search)

    work on fuel cell electric vehicle technologies. Transportation and Hydrogen Newsletter Stay up to date on NREL's RD&D of transportation and hydrogen technologies with this...

  9. Transportation Emergency Preparedness Program

    Office of Environmental Management (EM)

    Stakeholders Forum 1 Planning for a Shipment Campaign Identifying Responders Needs National Transportation Stakeholders Forum Tom Clawson US Department of Energy Transportation...

  10. Reactivity control assembly for nuclear reactor. [LMFBR

    DOE Patents [OSTI]

    Bollinger, L.R.

    1982-03-17

    This invention, which resulted from a contact with the United States Department of Energy, relates to a control mechanism for a nuclear reactor and, more particularly, to an assembly for selectively shifting different numbers of reactivity modifying rods into and out of the core of a nuclear reactor. It has been proposed heretofore to control the reactivity of a breeder reactor by varying the depth of insertion of control rods (e.g., rods containing a fertile material such as ThO/sub 2/) in the core of the reactor, thereby varying the amount of neutron-thermalizing coolant and the amount of neutron-capturing material in the core. This invention relates to a mechanism which can advantageously be used in this type of reactor control system.

  11. Nuclear reactivity control using laser induced polarization

    DOE Patents [OSTI]

    Bowman, Charles D. (Los Alamos, NM)

    1991-01-01

    A control element for reactivity control of a fission source provides an atomic density of .sup.3 He in a control volume which is effective to control criticality as the .sup.3 He is spin-polarized. Spin-polarization of the .sup.3 He affects the cross section of the control volume for fission neutrons and hence, the reactivity. An irradiation source is directed within the .sup.3 He for spin-polarizing the .sup.3 He. An alkali-metal vapor may be included with the .sup.3 He where a laser spin-polarizes the alkali-metal atoms which in turn, spin-couple with .sup.3 He to spin-polarize the .sup.3 He atoms.

  12. Nuclear reactivity control using laser induced polarization

    DOE Patents [OSTI]

    Bowman, Charles D. (Los Alamos, NM)

    1990-01-01

    A control element for reactivity control of a fission source provides an atomic density of .sup.3 He in a control volume which is effective to control criticality as the .sup.3 He is spin-polarized. Spin-polarization of the .sup.3 He affects the cross section of the control volume for fission neturons and hence, the reactivity. An irradiation source is directed within the .sup.3 He for spin-polarizing the .sup.3 He. An alkali-metal vapor may be included with the .sup.3 He where a laser spin-polarizes the alkali-metal atoms which in turn, spin-couple with .sup.3 He to spin-polarize the .sup.3 He atoms.

  13. Remote Raman - laser induced breakdown spectroscopy (LIBS) geochemical investigation under Venus atmospheric conditions

    SciTech Connect (OSTI)

    Clegg, Sanuel M; Barefield, James E; Humphries, Seth D; Wiens, Roger C; Vaniman, D. T.; Sharma, S. K.; Misra, A. K.; Dyar, M. D.; Smrekar, S. E.

    2010-12-13

    The extreme Venus surface temperatures ({approx}740 K) and atmospheric pressures ({approx}93 atm) create a challenging environment for surface missions. Scientific investigations capable of Venus geochemical observations must be completed within hours of landing before the lander will be overcome by the harsh atmosphere. A combined remote Raman - LIBS (Laser Induced Breakdown Spectroscopy) instrument is capable of accomplishing the geochemical science goals without the risks associated with collecting samples and bringing them into the lander. Wiens et al. and Sharma et al. demonstrated that both analytical techniques can be integrated into a single instrument capable of planetary missions. The focus of this paper is to explore the capability to probe geologic samples with Raman - LIBS and demonstrate quantitative analysis under Venus surface conditions. Raman and LIBS are highly complementary analytical techniques capable of detecting both the mineralogical and geochemical composition of Venus surface materials. These techniques have the potential to profoundly increase our knowledge of the Venus surface composition, which is currently limited to geochemical data from Soviet Venera and VEGA landers that collectively suggest a surface composition that is primarily tholeiitic basaltic with some potentially more evolved compositions and, in some locations, K-rich trachyandesite. These landers were not equipped to probe the surface mineralogy as can be accomplished with Raman spectroscopy. Based on the observed compositional differences and recognizing the imprecise nature of the existing data, 15 samples were chosen to constitute a Venus-analog suite for this study, including five basalts, two each of andesites, dacites, and sulfates, and single samples of a foidite, trachyandesite, rhyolite, and basaltic trachyandesite under Venus conditions. LIBS data reduction involved generating a partial least squares (PLS) model with a subset of the rock powder standards to quantitatively determine the major elemental abundance of the remaining samples. PLS analysis suggests that the major element compositions can be determined with root mean square errors ca. 5% (absolute) for SiO{sub 2}, Al{sub 2}O{sub 3}, Fe{sub 2}O{sub 3}(total), MgO, and CaO, and ca. 2% or less for TiO{sub 2}, Cr{sub 2}O{sub 3}, MnO, K{sub 2}O, and Na{sub 2}O. Finally, the Raman experiments have been conducted under supercritical CO{sub 2} involving single-mineral and mixed-mineral samples containing talc, olivine, pyroxenes, feldspars, anhydrite, barite, and siderite. The Raman data have shown that the individual minerals can easily be identified individually or in mixtures.

  14. Geochemical Behaviour of S, Cl and Fe in Silicate Melts/Glasses Simulating

    Broader source: All U.S. Department of Energy (DOE) Office Webpages (Extended Search)

    Natural Magmas | Stanford Synchrotron Radiation Lightsource Geochemical Behaviour of S, Cl and Fe in Silicate Melts/Glasses Simulating Natural Magmas Monday, March 26, 2012 - 11:00am SSRL Conference Room 137-322 G. Giuli, R. Alonso-Mori, E. Paris, P. Glatzel, S. Eeckhout, M. Carroll, School of Science and Technology, Geology Division, University of Camerino, Via G. III da Varano, 62032 Camerino; e-mail: The solubility behaviour of S and Cl in silicate magmas is a key to understand the

  15. Microstructure, Phase Formation, and Stress of Reactively-Deposited Metal

    Office of Scientific and Technical Information (OSTI)

    Hydride Thin Films (Technical Report) | SciTech Connect Microstructure, Phase Formation, and Stress of Reactively-Deposited Metal Hydride Thin Films Citation Details In-Document Search Title: Microstructure, Phase Formation, and Stress of Reactively-Deposited Metal Hydride Thin Films This document summarizes research of reactively deposited metal hydride thin films and their properties. Reactive deposition processes are of interest, because desired stoichiometric phases are created in a

  16. Characterization of Dual-Fuel Reactivity Controlled Compression Ignition

    Office of Energy Efficiency and Renewable Energy (EERE) Indexed Site

    (RCCI) Using Hydrated Ethanol and Diesel Fuel | Department of Energy Dual-Fuel Reactivity Controlled Compression Ignition (RCCI) Using Hydrated Ethanol and Diesel Fuel Characterization of Dual-Fuel Reactivity Controlled Compression Ignition (RCCI) Using Hydrated Ethanol and Diesel Fuel This study uses numerical simulations to explore the use of wet ethanol as the low-reactivity fuel and diesel as the high-reactivity fuel for RCCI operation in a heavy-duty diesel engine. PDF icon

  17. Hydraulic Conductivity of the Monticello Permeable Reactive Barrier

    Office of Environmental Management (EM)

    November 2005 Update | Department of Energy Hydraulic Conductivity of the Monticello Permeable Reactive Barrier November 2005 Update Hydraulic Conductivity of the Monticello Permeable Reactive Barrier November 2005 Update Hydraulic Conductivity of the Monticello Permeable Reactive Barrier November 2005 Update PDF icon Hydraulic Conductivity of the Monticello Permeable Reactive Barrier November 2005 Update More Documents & Publications Variation in Hydraulic Conductivity Over Time at the

  18. DOE - Office of Legacy Management -- Reactive Metals Inc - OH 10

    Office of Legacy Management (LM)

    Reactive Metals Inc - OH 10 FUSRAP Considered Sites Site: Reactive Metals Inc. (OH.10) Designated Name: Alternate Name: Location: Evaluation Year: Site Operations: Site Disposition: Radioactive Materials Handled: Primary Radioactive Materials Handled: Radiological Survey(s): Site Status: Also see Ashtabula Site Documents Related to Reactive Metals Inc

  19. Transportation Organization and Functions

    Broader source: Energy.gov [DOE]

    Office of Packaging and Transportation list of organizations and functions, with a list of acronyms.

  20. Geochemical Implications of CO2 Leakage Associated with Geologic Storage: A Review

    SciTech Connect (OSTI)

    Harvey, Omar R.; Qafoku, Nikolla; Cantrell, Kirk J.; Brown, Christopher F.

    2012-07-09

    Leakage from deep storage reservoirs is a major risk factor associated with geologic sequestration of carbon dioxide (CO2). Different scientific theories exist concerning the potential implications of such leakage for near-surface environments. The authors of this report reviewed the current literature on how CO2 leakage (from storage reservoirs) would likely impact the geochemistry of near surface environments such as potable water aquifers and the vadose zone. Experimental and modeling studies highlighted the potential for both beneficial (e.g., CO2 re sequestration or contaminant immobilization) and deleterious (e.g., contaminant mobilization) consequences of CO2 intrusion in these systems. Current knowledge gaps, including the role of CO2-induced changes in redox conditions, the influence of CO2 influx rate, gas composition, organic matter content and microorganisms are discussed in terms of their potential influence on pertinent geochemical processes and the potential for beneficial or deleterious outcomes. Geochemical modeling was used to systematically highlight why closing these knowledge gaps are pivotal. A framework for studying and assessing consequences associated with each factor is also presented in Section 5.6.

  1. NREL: Transportation Research - Transportation and Hydrogen Newsletter

    Broader source: All U.S. Department of Energy (DOE) Office Webpages (Extended Search)

    Transportation and Hydrogen Newsletter The Transportation and Hydrogen Newsletter is a monthly electronic newsletter that provides information on NREL's research, development, and deployment of transportation and hydrogen technologies. Photo of a stack of newspapers January 2016 Issue Sustainable Mobility Read the latest issue of the newsletter. Subscribe: To receive new issues by email, subscribe to the newsletter. Archives: For past issues, read the newsletter archives. Printable Version

  2. IONIC LIQUIDS: RADIATION CHEMISTRY, SOLVATION DYNAMICS AND REACTIVITY PATTERNS.

    SciTech Connect (OSTI)

    WISHART,J.F.

    2007-10-01

    energy production, nuclear fuel and waste processing, improving the efficiency and safety of industrial chemical processes, and pollution prevention. ILs are generally nonvolatile, noncombustible, highly conductive, recyclable and capable of dissolving a wide variety of materials. They are finding new uses in chemical synthesis, catalysis, separations chemistry, electrochemistry and other areas. Ionic liquids have dramatically different properties compared to conventional molecular solvents, and they provide a new and unusual environment to test our theoretical understanding of charge transfer and other reactions. We are interested in how IL properties influence physical and dynamical processes that determine the stability and lifetimes of reactive intermediates and thereby affect the courses of chemical reactions and product distributions. Successful use of ionic liquids in radiation-filled environments, where their safety advantages could be significant, requires an understanding of ionic liquid radiation chemistry. For example, characterizing the primary steps of IL radiolysis will reveal radiolytic degradation pathways and suggest ways to prevent them or mitigate their effects on the properties of the material. An understanding of ionic liquid radiation chemistry will also facilitate pulse radiolysis studies of general chemical reactivity in ILs, which will aid in the development of applications listed above. Very early in our radiolysis studies it became evident that slow solvation dynamics of the excess electron in ILs (which vary over a wide viscosity range) increases the importance of pre-solvated electron reactivity and consequently alters product distributions. Parallel studies of IL solvation phenomena using coumarin-153 dynamic Stokes shifts and polarization anisotropy decay rates are done to compare with electron solvation studies and to evaluate the influence of ILs on charge transport processes. Methods. Picosecond pulse radiolysis studies at BNL's Laser-Electron Accelerator Facility (LEAF) are used to identify reactive species in ionic liquids and measure their solvation and reaction rates. We and our collaborators (R. Engel (Queens College, CUNY) and S. Lall-Ramnarine, (Queensborough CC, CUNY)) develop and characterize new ionic liquids specifically designed for our radiolysis and solvation dynamics studies. IL solvation and rotational dynamics are measured by TCSPC and fluorescence upconversion measurements in the laboratory of E. W. Castner at Rutgers Univ. Investigations of radical species in irradiated ILs are carried out at ANL by I. Shkrob and S. Chemerisov using EPR spectroscopy. Diffusion rates are obtained by PGSE NMR in S. Greenbaum's lab at Hunter College, CUNY and S. Chung's lab at William Patterson U. Professor Mark Kobrak of CUNY Brooklyn College performs molecular dynamics simulations of solvation processes. A collaboration with M. Dietz and coworkers at ANL is centered around the properties and radiolytic behavior of ionic liquids for nuclear separations. Collaborations with C. Reed (UC Riverside), D. Gabel (U. Bremen) and J. Davis (U. South Alabama) are aimed at characterizing the radiolytic and other properties of borated ionic liquids, which could be used to make fissile material separations processes inherently safe from criticality accidents.

  3. Ionic Liquids: Radiation Chemistry, Solvation Dynamics and Reactivity Patterns

    SciTech Connect (OSTI)

    Wishart,J.F.

    2008-09-29

    Ionic liquids (ILs) are a rapidly expanding family of condensed-phase media with important applications in energy production, nuclear fuel and waste processing, improving the efficiency and safety of industrial chemical processes, and pollution prevention. ILs are generally nonvolatile, noncombustible, highly conductive, recyclable and capable of dissolving a wide variety of materials. They are finding new uses in chemical synthesis, catalysis, separations chemistry, electrochemistry and other areas. Ionic liquids have dramatically different properties compared to conventional molecular solvents, and they provide a new and unusual environment to test our theoretical understanding of charge transfer and other reactions. We are interested in how IL properties influence physical and dynamical processes that determine the stability and lifetimes of reactive intermediates and thereby affect the courses of chemical reactions and product distributions. Successful use of ionic liquids in radiation-filled environments, where their safety advantages could be significant, requires an understanding of ionic liquid radiation chemistry. For example, characterizing the primary steps of IL radiolysis will reveal radiolytic degradation pathways and suggest ways to prevent them or mitigate their effects on the properties of the material. An understanding of ionic liquid radiation chemistry will also facilitate pulse radiolysis studies of general chemical reactivity in ILs, which will aid in the development of applications listed above. Very early in our radiolysis studies it became evident that slow solvation dynamics of the excess electron in ILs (which vary over a wide viscosity range) increases the importance of pre-solvated electron reactivity and consequently alters product distributions. Parallel studies of IL solvation phenomena using coumarin-153 dynamic Stokes shifts and polarization anisotropy decay rates are done to compare with electron solvation studies and to evaluate the influence of ILs on charge transport processes. Picosecond pulse radiolysis studies at BNL's Laser-Electron Accelerator Facility (LEAF) are used to identify reactive species in ionic liquids and measure their solvation and reaction rates. We and our collaborators (R. Engel (Queens College, CUNY) and S. Lall-Ramnarine, (Queensborough CC, CUNY)) develop and characterize new ionic liquids specifically designed for our radiolysis and solvation dynamics studies. IL solvation and rotational dynamics are measured by TCSPC and fluorescence upconversion measurements in the laboratory of E. W. Castner at Rutgers Univ. Investigations of radical species in irradiated ILs are carried out at ANL by I. Shkrob and S. Chemerisov using EPR spectroscopy. Diffusion rates are obtained by PGSE NMR in S. Greenbaum's lab at Hunter College, CUNY and S. Chung's lab at William Patterson U. Professor Mark Kobrak of CUNY Brooklyn College performs molecular dynamics simulations of solvation processes. A collaboration with M. Dietz at U. Wisc. Milwaukee is centered around the properties and radiolytic behavior of ionic liquids for nuclear separations. Collaborations with C. Reed (UC Riverside), D. Gabel (U. Bremen) and J. Davis (U. South Alabama) are aimed at characterizing the radiolytic and other properties of borated ionic liquids, which could be used to make fissile material separations processes inherently safe from criticality accidents.

  4. The Reactivity of Energetic Materials At Extreme Conditions

    SciTech Connect (OSTI)

    Fried, L E

    2006-10-23

    Energetic materials are unique for having a strong exothermic reactivity, which has made them desirable for both military and commercial applications. Energetic materials are commonly divided into high explosives, propellants, and pyrotechnics. We will focus on high explosive (HE) materials here, although there is a great deal of commonality between the classes of energetic materials. Although the history of HE materials is long, their condensed-phase properties are poorly understood. Understanding the condensed-phase properties of HE materials is important for determining stability and performance. Information regarding HE material properties (for example, the physical, chemical, and mechanical behaviors of the constituents in plastic-bonded explosive, or PBX, formulations) is necessary for efficiently building the next generation of explosives as the quest for more powerful energetic materials (in terms of energy per volume) moves forward. In modeling HE materials there is a need to better understand the physical, chemical, and mechanical behaviors from fundamental theoretical principles. Among the quantities of interest in plastic-bonded explosives (PBXs), for example, are thermodynamic stabilities, reaction kinetics, equilibrium transport coefficients, mechanical moduli, and interfacial properties between HE materials and the polymeric binders. These properties are needed (as functions of stress state and temperature) for the development of improved micro-mechanical models, which represent the composite at the level of grains and binder. Improved micro-mechanical models are needed to describe the responses of PBXs to dynamic stress or thermal loading, thus yielding information for use in developing continuum models. Detailed descriptions of the chemical reaction mechanisms of condensed energetic materials at high densities and temperatures are essential for understanding events that occur at the reactive front under combustion or detonation conditions. Under shock conditions, for example, energetic materials undergo rapid heating to a few thousand degrees and are subjected to a compression of hundreds of kilobars, resulting in almost 30% volume reduction. Complex chemical reactions are thus initiated, in turn releasing large amounts of energy to sustain the detonation process. Clearly, understanding of the various chemical events at these extreme conditions is essential in order to build predictive material models. Scientific investigations into the reactive process have been undertaken over the past two decades. However, the sub-{micro}s time scale of explosive reactions, in addition to the highly exothermic conditions of an explosion, make experimental investigation of the decomposition pathways difficult at best. More recently, new computational approaches to investigate condensed-phase reactivity in energetic materials have been developed. Here we focus on two different approaches to condensed-phase reaction modeling: chemical equilibrium methods and atomistic modeling of condensed-phase reactions. These are complementary approaches to understanding the chemical reactions of high explosives. Chemical equilibrium modeling uses a highly simplified thermodynamic picture of the reaction process, leading to a convenient and predictive model of detonation and other decomposition processes. Chemical equilibrium codes are often used in the design of new materials, both at the level of synthesis chemistry and formulation. Atomistic modeling is a rapidly emerging area. The doubling of computational power approximately every 18 months has made atomistic condensed-phase modeling more feasible. Atomistic calculations employ far fewer empirical parameters than chemical equilibrium calculations. Nevertheless, the atomistic modeling of chemical reactions requires an accurate global Born-Oppenheimer potential energy surface. Traditionally, such a surface is constructed by representing the potential energy surface with an analytical fit. This approach is only feasible for simple chemical reactions involving a small number of atoms

  5. Predictive modeling of reactive wetting and metal joining.

    SciTech Connect (OSTI)

    van Swol, Frank B.

    2013-09-01

    The performance, reproducibility and reliability of metal joints are complex functions of the detailed history of physical processes involved in their creation. Prediction and control of these processes constitutes an intrinsically challenging multi-physics problem involving heating and melting a metal alloy and reactive wetting. Understanding this process requires coupling strong molecularscale chemistry at the interface with microscopic (diffusion) and macroscopic mass transport (flow) inside the liquid followed by subsequent cooling and solidification of the new metal mixture. The final joint displays compositional heterogeneity and its resulting microstructure largely determines the success or failure of the entire component. At present there exists no computational tool at Sandia that can predict the formation and success of a braze joint, as current capabilities lack the ability to capture surface/interface reactions and their effect on interface properties. This situation precludes us from implementing a proactive strategy to deal with joining problems. Here, we describe what is needed to arrive at a predictive modeling and simulation capability for multicomponent metals with complicated phase diagrams for melting and solidification, incorporating dissolutive and composition-dependent wetting.

  6. NREL: Transportation Research - Sustainable Transportation Basics

    Broader source: All U.S. Department of Energy (DOE) Office Webpages (Extended Search)

    an introduction to sustainable transportation. NREL research supports development of electric, hybrid, hydrogen fuel cell, biofuel, natural gas, and propane vehicle technologies. ...

  7. Pyrolysis process for producing condensed stabilized hydrocarbons utilizing a beneficially reactive gas

    DOE Patents [OSTI]

    Durai-Swamy, Kandaswamy (Culver City, CA)

    1982-01-01

    In a process for recovery of values contained in solid carbonaceous material, the solid carbonaceous material is comminuted and then subjected to pyrolysis, in the presence of a carbon containing solid particulate source of heat and a beneficially reactive transport gas in a transport flash pyrolysis reactor, to form a pyrolysis product stream. The pyrolysis product stream contains a gaseous mixture and particulate solids. The solids are separated from the gaseous mixture to form a substantially solids-free gaseous stream which comprises volatilized hydrocarbon free radicals newly formed by pyrolysis. Preferably the solid particulate source of heat is formed by oxidizing part of the separated particulate solids. The beneficially reactive transport gas inhibits the reactivity of the char product and the carbon-containing solid particulate source of heat. Condensed stabilized hydrocarbons are obtained by quenching the gaseous mixture stream with a quench fluid which contains a capping agent for stabilizing and terminating newly formed volatilized hydrocarbon free radicals. The capping agent is partially depleted of hydrogen by the stabilization and termination reaction. Hydrocarbons of four or more carbon atoms in the gaseous mixture stream are condensed. A liquid stream containing the stabilized liquid product is then treated or separated into various fractions. A liquid containing the hydrogen depleted capping agent is hydrogenated to form a regenerated capping agent. At least a portion of the regenerated capping agent is recycled to the quench zone as the quench fluid. In another embodiment capping agent is produced by the process, separated from the liquid product mixture, and recycled.

  8. Preparation of reactive beta-dicalcium silicate

    DOE Patents [OSTI]

    Shen, Ming-Shing (Laramie, WY, NJ); Chen, James M. (Rahway, NJ); Yang, Ralph T. (Amherst, NY)

    1982-01-01

    This invention relates to the preparation of fine particles of reactive beta-dicalcium silicate by means of a solid state process which comprises firing a mixture of calcium sulfate, silica and a reducing additive selected from the group consisting of calcium sulfide, carbon, carbon monoxide, methane and hydrogen, at a temperature of about 850.degree.-1000.degree. C. A carrier gas such as nitrogen or carbon dioxide may also be added, if desired. A high concentration of sulfur dioxide is a by-product of this process.

  9. Fossil power plant layup and reactivation

    SciTech Connect (OSTI)

    Tsou, J.L.

    1996-07-01

    In recent years, many utilities have developed excess generation capacity problems during period of low system load growth, particularly with new generation units coming on-line. System load studies may indicate that the situation is temporary and higher generation capacity will be needed in the near future. The objective of layup is to prevent component deterioration during the long shut down periods. This paper discusses equipment preservation practices in use in the industry and the advantages/disadvantages of various layup methods. Other issues related to plant layup and reactivation are also presented.

  10. Preparation of reactive beta-dicalcium silicate

    DOE Patents [OSTI]

    Shen, M.S.; Chen, J.M.; Yang, R.T.

    1980-02-28

    This invention relates to the preparation of fine particles of reactive beta-dicalcium silicate by means of a solid state process which comprises firing a mixture of calcium sulfate, silica, and a reducing additive selected from the group consisting of calcium sulfide, carbon, carbon monoxide, methane, and hydrogen, at a temperature of about 850 to 1000/sup 0/C. A carrier gas such as nitrogen or carbon dioxide may also be added, if desired. A high concentration of sulfur dioxide is a by-product of this process.

  11. Predictive modeling of CO{sub 2} sequestration in deep saline sandstone reservoirs: Impacts of geochemical kinetics

    SciTech Connect (OSTI)

    Balashov, Victor N.; Guthrie, George D.; Hakala, J. Alexandra; Lopano, Christina L. J.; Rimstidt, Donald; Brantley, Susan L.

    2013-03-01

    One idea for mitigating the increase in fossil-fuel generated CO{sub 2} in the atmosphere is to inject CO{sub 2} into subsurface saline sandstone reservoirs. To decide whether to try such sequestration at a globally significant scale will require the ability to predict the fate of injected CO{sub 2}. Thus, models are needed to predict the rates and extents of subsurface rock-water-gas interactions. Several reactive transport models for CO{sub 2} sequestration created in the last decade predicted sequestration in sandstone reservoirs of ~17 to ~90 kg CO{sub 2} m{sup -3|. To build confidence in such models, a baseline problem including rock + water chemistry is proposed as the basis for future modeling so that both the models and the parameterizations can be compared systematically. In addition, a reactive diffusion model is used to investigate the fate of injected supercritical CO{sub 2} fluid in the proposed baseline reservoir + brine system. In the baseline problem, injected CO{sub 2} is redistributed from the supercritical (SC) free phase by dissolution into pore brine and by formation of carbonates in the sandstone. The numerical transport model incorporates a full kinetic description of mineral-water reactions under the assumption that transport is by diffusion only. Sensitivity tests were also run to understand which mineral kinetics reactions are important for CO{sub 2} trapping. The diffusion transport model shows that for the first ~20 years after CO{sub 2} diffusion initiates, CO{sub 2} is mostly consumed by dissolution into the brine to form CO{sub 2,aq} (solubility trapping). From 20-200 years, both solubility and mineral trapping are important as calcite precipitation is driven by dissolution of oligoclase. From 200 to 1000 years, mineral trapping is the most important sequestration mechanism, as smectite dissolves and calcite precipitates. Beyond 2000 years, most trapping is due to formation of aqueous HCO{sub 3}{sup -}. Ninety-seven percent of the maximum CO{sub 2} sequestration, 34.5 kg CO{sub 2} per m{sup 3} of sandstone, is attained by 4000 years even though the system does not achieve chemical equilibrium until ~25,000 years. This maximum represents about 20% CO{sub 2} dissolved as CO{sub 2},aq, 50% dissolved as HCO{sub 3}{sup -}{sub ,aq}, and 30% precipitated as calcite. The extent of sequestration as HCO{sub 3}{sup -} at equilibrium can be calculated from equilibrium thermodynamics and is roughly equivalent to the amount of Na+ in the initial sandstone in a soluble mineral (here, oligoclase). Similarly, the extent of trapping in calcite is determined by the amount of Ca2+ in the initial oligoclase and smectite. Sensitivity analyses show that the rate of CO{sub 2} sequestration is sensitive to the mineral-water reaction kinetic constants between approximately 10 and 4000 years. The sensitivity of CO{sub 2} sequestration to the rate constants decreases in magnitude respectively from oligoclase to albite to smectite.

  12. Secure Transportation Management

    SciTech Connect (OSTI)

    Gibbs, P. W.

    2014-10-15

    Secure Transport Management Course (STMC) course provides managers with information related to procedures and equipment used to successfully transport special nuclear material. This workshop outlines these procedures and reinforces the information presented with the aid of numerous practical examples. The course focuses on understanding the regulatory framework for secure transportation of special nuclear materials, identifying the insider and outsider threat(s) to secure transportation, organization of a secure transportation unit, management and supervision of secure transportation units, equipment and facilities required, training and qualification needed.

  13. Performance Assessment Transport Modeling of Uranium at the Area 5 Radioactive Waste Management Site at the Nevada National Security Site

    SciTech Connect (OSTI)

    NSTec Radioactive Waste

    2010-10-12

    Following is a brief summary of the assumptions that are pertinent to the radioactive isotope transport in the GoldSim Performance Assessment model of the Area 5 Radioactive Waste Management Site, with special emphasis on the water-phase reactive transport of uranium, which includes depleted uranium products.

  14. ACES4BGC Applying Computationally Efficient Schemes for BioGeochemical Cycles

    Office of Scientific and Technical Information (OSTI)

    ACES4BGC Applying Computationally Efficient Schemes for BioGeochemical Cycles Principal Investigator: Fo r r es t M. H o ff m a n ( O R N L ) Co-Investigators: Pavel B. B o c h e v ( SN L) , Philip J. C a m e r o n - S m i t h ( LLNL) , Ri chard C. East er , Jr. ( P N N L ) , S c o t t M. Elliott ( LANE ) , S t e v e n J. G h a n ( P N N L ) , X i a o h o n g Liu ( f or me rl y P N N L , U. W y o m i n g ) , R o b e r t B. Lowrie ( LA N L ) , D o n a l d D. Lu ca s ( LLNL) , P o - l un Ma ( P N

  15. Geological, geochemical, and geophysical survey of the geothermal resources at Hot Springs Bay Valley, Akutan Island, Alaska

    SciTech Connect (OSTI)

    Motyka, R.J.; Wescott, E.M.; Turner, D.L.; Swanson, S.E.; Romick, J.D.; Moorman, M.A.; Poreda, R.J.; Witte, W.; Petzinger, B.; Allely, R.D.

    1985-01-01

    An extensive survey was conducted of the geothermal resource potential of Hot Springs Bay Valley on Akutan Island. A topographic base map was constructed, geologic mapping, geophysical and geochemical surveys were conducted, and the thermal waters and fumarolic gases were analyzed for major and minor element species and stable isotope composition. (ACR)

  16. Geochemical Impacts of Leaking CO2 from Subsurface Storage Reservoirs to Unconfined and Confined Aquifers

    SciTech Connect (OSTI)

    Qafoku, Nikolla; Brown, Christopher F.; Wang, Guohui; Sullivan, E. C.; Lawter, Amanda R.; Harvey, Omar R.; Bowden, Mark

    2013-04-15

    Experimental research work has been conducted and is undergoing at Pacific Northwest National Laboratory (PNNL) to address a variety of scientific issues related with the potential leaks of the carbon dioxide (CO2) gas from deep storage reservoirs. The main objectives of this work are as follows: • Develop a systematic understanding of how CO2 leakage is likely to influence pertinent geochemical processes (e.g., dissolution/precipitation, sorption/desorption and redox reactions) in the aquifer sediments. • Identify prevailing environmental conditions that would dictate one geochemical outcome over another. • Gather useful information to support site selection, risk assessment, policy-making, and public education efforts associated with geological carbon sequestration. In this report, we present results from experiments conducted at PNNL to address research issues related to the main objectives of this effort. A series of batch and column experiments and solid phase characterization studies (quantitative x-ray diffraction and wet chemical extractions with a concentrated acid) were conducted with representative rocks and sediments from an unconfined, oxidizing carbonate aquifer, i.e., Edwards aquifer in Texas, and a confined aquifer, i.e., the High Plains aquifer in Kansas. These materials were exposed to a CO2 gas stream simulating CO2 gas leaking scenarios, and changes in aqueous phase pH and chemical composition were measured in liquid and effluent samples collected at pre-determined experimental times. Additional research to be conducted during the current fiscal year will further validate these results and will address other important remaining issues. Results from these experimental efforts will provide valuable insights for the development of site-specific, generation III reduced order models. In addition, results will initially serve as input parameters during model calibration runs and, ultimately, will be used to test model predictive capability and competency. The results from these investigations will provide useful information to support site selection, risk assessment, and public education efforts associated with geological, deep subsurface CO2 storage and sequestration.

  17. Transportation Management Workshop: Proceedings

    SciTech Connect (OSTI)

    Not Available

    1993-10-01

    This report is a compilation of discussions presented at the Transportation Management Workshop held in Gaithersburg, Maryland. Topics include waste packaging, personnel training, robotics, transportation routing, certification, containers, and waste classification.

  18. Packaging and Transportation Safety

    Broader source: Directives, Delegations, and Requirements [Office of Management (MA)]

    1995-09-27

    Establishes safety requirements for the proper packaging and transportation of offsite shipments and onsite transfers of hazardous materials andor modal transport. Cancels DOE 1540.2 and DOE 5480.3

  19. Packaging and Transportation Safety

    Broader source: Directives, Delegations, and Requirements [Office of Management (MA)]

    1995-09-27

    Establishes safety requirements for the proper packaging and transportation of Department of Energy (DOE) offsite shipments and onsite transfers of hazardous materials and for modal transport. Canceled by DOE 460.1A

  20. Packaging and Transportation Safety

    Broader source: Directives, Delegations, and Requirements [Office of Management (MA)]

    1996-10-02

    Establishes safety requirements for the proper packaging and transportation of Department of Energy (DOE) offsite shipments and onsite transfers of hazardous materials and for modal transport. Cancels DOE O 460.1.

  1. Transportation Energy Futures Study

    Broader source: Energy.gov [DOE]

    Transportation accounts for 71% of total U.S. petroleum consumption and 33% of total greenhouse gas emissions. The Transportation Energy Futures (TEF) study examines underexplored oil-savings and...

  2. Packaging and Transportation Safety

    Broader source: Directives, Delegations, and Requirements [Office of Management (MA)]

    2010-05-14

    The order establishes safety requirements for the proper packaging and transportation of DOE, including NNSA, offsite shipments and onsite transfers of radioactive and other hazardous materials and for modal transportation. Supersedes DOE O 460.1B.

  3. Water Transport Within the STack: Water Transport Exploratory...

    Office of Energy Efficiency and Renewable Energy (EERE) Indexed Site

    Within the STack: Water Transport Exploratory Studies Water Transport Within the STack: Water Transport Exploratory Studies Part of a 100 million fuel cell award announced by DOE ...

  4. Transportation Storage Interface

    Office of Environmental Management (EM)

    of Future Extended Storage and Transportation Transportation-Storage Interface James Rubenstone Office of Nuclear Material Safety and Safeguards U.S. Nuclear Regulatory Commission National Transportation Stakeholders Forum May 2012 ♦ Knoxville, Tennessee Overview * Changing policy environment * Regulatory framework-current and future * Extended storage and transportation-technical information needs * Next Steps 2 Current Policy Environment * U.S. national policy for disposition of spent

  5. High Efficiency Fuel Reactivity Controlled Compression Ignition Combustion

    Office of Energy Efficiency and Renewable Energy (EERE) Indexed Site

    | Department of Energy Fuel Reactivity Controlled Compression Ignition Combustion High Efficiency Fuel Reactivity Controlled Compression Ignition Combustion An optimized dual-fuel PCCI concept, RCCI, is proposed. PDF icon deer10_reitz.pdf More Documents & Publications Effect of Compression Ratio and Piston Geometry on RCCI load limit Optimization of Advanced Diesel Engine Combustion Strategies Comparison of Conventional Diesel and Reactivity Controlled Compression Ignition (RCCI)

  6. Fuel Impacts on Soot Nanostructure and Reactivity | Department of Energy

    Office of Energy Efficiency and Renewable Energy (EERE) Indexed Site

    Impacts on Soot Nanostructure and Reactivity Fuel Impacts on Soot Nanostructure and Reactivity 2004 Diesel Engine Emissions Reduction (DEER) Conference Presentation: The Pennsylvania State University PDF icon 2004_deer_song.pdf More Documents & Publications Fuel Formulation Effects on Diesel Fuel Injection, Combustion, Emissions and Emission Control Effect of Alternative Fuels on Soot Properties and Regeneration of Diesel Particulate Filters Impact of EGR on Soot Nanostructure and Reactivity

  7. Comparison of Conventional Diesel and Reactivity Controlled Compression

    Office of Energy Efficiency and Renewable Energy (EERE) Indexed Site

    Ignition (RCCI) Combustion in a Light-Duty Engine | Department of Energy Conventional Diesel and Reactivity Controlled Compression Ignition (RCCI) Combustion in a Light-Duty Engine Comparison of Conventional Diesel and Reactivity Controlled Compression Ignition (RCCI) Combustion in a Light-Duty Engine CFD modeling was used to compare conventional diesel and dual-fuel Reactivity Controlled Compression Ignition combustion at US Tier 2 Bin 5 NOx levels, while accounting for Diesel Exhaust Fluid

  8. Final Report Phase II: Performance Evaluation of Permeable Reactive

    Office of Environmental Management (EM)

    Barriers and Potential for Rejuvenation by Chemical Flushing | Department of Energy Report Phase II: Performance Evaluation of Permeable Reactive Barriers and Potential for Rejuvenation by Chemical Flushing Final Report Phase II: Performance Evaluation of Permeable Reactive Barriers and Potential for Rejuvenation by Chemical Flushing Final Report Phase II: Performance Evaluation of Permeable Reactive Barriers and Potential for Rejuvenation by Chemical Flushing PDF icon Final Report Phase II:

  9. Three-Dimensional Modeling of the Reactive Transport of CO2 and...

    Office of Scientific and Technical Information (OSTI)

    The computational tool incorporates the change in rock permeability due to both ... changes that directly affect the rock stiffness, stress and strain distributions ...

  10. Modeling reactive transport in deformable porous media using the theory of interacting continua.

    SciTech Connect (OSTI)

    Turner, Daniel Zack

    2012-01-01

    This report gives an overview of the work done as part of an Early Career LDRD aimed at modeling flow induced damage of materials involving chemical reactions, deformation of the porous matrix, and complex flow phenomena. The numerical formulation is motivated by a mixture theory or theory of interacting continua type approach to coupling the behavior of the fluid and the porous matrix. Results for the proposed method are presented for several engineering problems of interest including carbon dioxide sequestration, hydraulic fracturing, and energetic materials applications. This work is intended to create a general framework for flow induced damage that can be further developed in each of the particular areas addressed below. The results show both convincing proof of the methodologies potential and the need for further validation of the models developed.

  11. Understanding the Subsurface Reactive Transport of Transuranic Contaminants at DOE Sites

    SciTech Connect (OSTI)

    Barnett, Mark O.; Albrecht-Schmitt, Thomas E.; Saiers, James E.; Shuh, David K.

    2013-12-20

    Our primary hypothesis is that actinides can interact with surfaces in fundamentally different ways than other metals, metalloids, and oxyanions and that this fundamental difference requires new approaches to studying and modeling transuranic sorption to minerals and geomedia. This project supports a key mission of the SBR program to develop sufficient scientific understanding such that DOE sites will be able to incorporate coupled physical, chemical, and biological processes into decision making for environmental management and long-term stewardship, while also supporting DOEs commitment to education, training, and collaboration with DOE user facilities.

  12. Double Shock Experiments and Reactive Flow Modeling of High Pressure...

    Office of Scientific and Technical Information (OSTI)

    Double Shock Experiments and Reactive Flow Modeling of High Pressure LX-17 Detonation Reaction Product States Citation Details In-Document Search Title: Double Shock Experiments ...

  13. New NIR Calibration Models Speed Biomass Composition and Reactivity...

    Broader source: All U.S. Department of Energy (DOE) Office Webpages (Extended Search)

    these valuable characteristics by using multivariate statistics to correlate laboratory data on biomass composition and reactivity to NIR spectra of a population of mixed...

  14. The Reactivity of Energetic Materials Under High Pressure and...

    Office of Scientific and Technical Information (OSTI)

    Under High Pressure and Temperature Citation Details In-Document Search Title: The Reactivity of Energetic Materials Under High Pressure and Temperature Authors: Manaa, M R ; ...

  15. Advancing Reactive Tracer Methods for Measurement of Thermal...

    Office of Scientific and Technical Information (OSTI)

    Title: Advancing Reactive Tracer Methods for Measurement of Thermal Evolution in ... result in the lowering of the temperature of the produced fluids (thermal breakthrough). ...

  16. Sample Memorandum to Reactivate a Directive Placed on Hold (NOTE...

    Broader source: All U.S. Department of Energy (DOE) Office Webpages (Extended Search)

    Sample Memorandum to Reactivate a Directive Placed on Hold (NOTE: Per Office of Executive Secretariat procedures, please use Calibri, 12 point font for this memorandum.) (Effective...

  17. WP-07 Reactive Power Supplemental Proposal (wp07/initial)

    Broader source: All U.S. Department of Energy (DOE) Office Webpages (Extended Search)

    This modification is necessary in light of recent FERC cases regarding generation input cost for generation supplied reactive power and voltage control. On February 13, BPA...

  18. Advancing Reactive Tracer Methods for Measuring Thermal Evolution...

    Open Energy Info (EERE)

    and interpret reactive tracer tests - Development of suitable tracers to cover a range of reservoir temperature and residence time conditions - Testing the tools and tracers in a...

  19. Comparison of Conventional Diesel and Reactivity Controlled Compressio...

    Office of Energy Efficiency and Renewable Energy (EERE) Indexed Site

    Optimization of Advanced Diesel Engine Combustion Strategies High Efficiency Fuel Reactivity Controlled Compression Ignition Combustion Effect of Compression Ratio and Piston ...

  20. Reactive Molecular Simulations of Protonation of Water Clusters...

    Office of Scientific and Technical Information (OSTI)

    of Water Clusters and Depletion of Acidity in H-ZSM-5 Zeolite Citation Details In-Document Search Title: Reactive Molecular Simulations of Protonation of Water Clusters ...

  1. Experimental Evidence for Self-Limiting Reactive Flow through...

    Office of Scientific and Technical Information (OSTI)

    Experimental Evidence for Self-Limiting Reactive Flow through a Fractured Cement Core: Implications for Time-Dependent Wellbore Leakage Citation Details In-Document Search Title: ...

  2. Long-Term Stewardship of Mixed Wastes: Passive Reactive Barriers...

    Office of Scientific and Technical Information (OSTI)

    Long-Term Stewardship of Mixed Wastes: Passive Reactive Barriers for Simultaneous In Situ Remediation of Chlorinated Solvent, Heavy Metal, and Radionuclide Contaminants Citation...

  3. NREL: Transportation Research - Transportation Deployment Support

    Broader source: All U.S. Department of Energy (DOE) Office Webpages (Extended Search)

    Transportation Deployment Support Photo of a car parked in front of a monument. A plug-in electric vehicle charges near the Thomas Jefferson Memorial in Washington, D.C. Photo from...

  4. NREL: Transportation Research - Transportation and Hydrogen Newsletter...

    Broader source: All U.S. Department of Energy (DOE) Office Webpages (Extended Search)

    Energy Storage This is the November 2015 issue of the Transportation and Hydrogen Newsletter. November 6, 2015 Photo of a light blue car with a pump nozzle in front of a fuel ...

  5. Natural analogue studies of the role of colloids, natural organics and microorganisms on radionuclide transport

    SciTech Connect (OSTI)

    McCarthy, J.F.

    1994-10-01

    Colloids may be important as a geochemical transport mechanism for radionuclides at geological repositories if they are (1) present in the groundwater, (2) stable with respect to both colloidal and chemical stabilities, (3) capable of adsorbing radionuclides, especially if the sorption is irreversible, and (4) mobile in the subsurface. The available evidence from natural analogue and other field studies relevant to these issues is reviewed, as is the potential role of mobile microorganisms ({open_quotes}biocolloids{close_quotes}) on radionuclide migration. Studies have demonstrated that colloids are ubiquitous in groundwater, although colloid concentrations in deep, geochemically stable systems may be too low to affect radionuclide transport. However, even low colloid populations cannot be dismissed as a potential concern because colloids appear to be stable, and many radionuclides that adsorb to colloids are not readily desorbed over long periods. Field studies offer somewhat equivocal evidence concerning colloid mobility and cannot prove or disprove the significance of colloid transport in the far-field environment. Additional research is needed at new sites to properly represent a repository far-field. Performance assessment would benefit from natural analogue studies to examine colloid behavior at sites encompassing a suite of probable groundwater chemistries and that mimic the types of formations selected for radioactive waste repositories.

  6. Vadose Zone Transport Field Study: Summary Report

    SciTech Connect (OSTI)

    Ward, Andy L.; Conrad, Mark E.; Daily, William D.; Fink, James B.; Freedman, Vicky L.; Gee, Glendon W.; Hoversten, Gary M.; Keller, Jason M.; Majer, Ernest L.; Murray, Christopher J.; White, Mark D.; Yabusaki, Steven B.; Zhang, Z. F.

    2006-07-31

    From FY 2000 through FY 2003, a series of vadose zone transport field experiments were conducted as part of the U.S. Department of Energys Groundwater/Vadose Zone Integration Project Science and Technology Project, now known as the Remediation and Closure Science Project, and managed by the Pacific Northwest National Laboratory (PNNL). The series of experiments included two major field campaigns, one at a 299-E24-11 injection test site near PUREX and a second at a clastic dike site off Army Loop Road. The goals of these experiments were to improve our understanding of vadose zone transport processes; to develop data sets to validate and calibrate vadose zone flow and transport models; and to identify advanced monitoring techniques useful for evaluating flow-and-transport mechanisms and delineating contaminant plumes in the vadose zone at the Hanford Site. This report summarizes the key findings from the field studies and demonstrates how data collected from these studies are being used to improve conceptual models and develop numerical models of flow and transport in Hanfords vadose zone. Results of these tests have led to a better understanding of the vadose zone. Fine-scale geologic heterogeneities, including grain fabric and lamination, were observed to have a strong effect on the large-scale behavior of contaminant plumes, primarily through increased lateral spreading resulting from anisotropy. Conceptual models have been updated to include lateral spreading and numerical models of unsaturated flow and transport have revised accordingly. A new robust model based on the concept of a connectivity tensor was developed to describe saturation-dependent anisotropy in strongly heterogeneous soils and has been incorporated into PNNLs Subsurface Transport Over Multiple Phases (STOMP) simulator. Application to field-scale transport problems have led to a better understanding plume behavior at a number of sites where lateral spreading may have dominated waste migration (e.g. BC Cribs and Trenches). The improved models have been also coupled with inverse models and newly-developed parameter scaling techniques to allow estimation of field-scale and effective transport parameters for the vadose zone. The development and utility of pedotransfer functions for describing fine-scale hydrogeochemical heterogeneity and for incorporating this heterogeneity into reactive transport models was explored. An approach based on grain-size statistics appears feasible and has been used to describe heterogeneity in hydraulic properties and sorption properties, such as the cation exchange capacity and the specific surface area of Hanford sediments. This work has also led to the development of inverse modeling capabilities for time-dependent, subsurface, reactive transport with transient flow fields using an automated optimization algorithm. In addition, a number of geophysical techniques investigated for their potential to provide detailed information on the subtle changes in lithology and bedding surfaces; plume delineation, leak detection. High-resolution resistivity is now being used for detecting saline plumes at several waste sites at Hanford, including tank farms. Results from the field studies and associated analysis have appeared in more than 46 publications generated over the past 4 years. These publications include test plans and status reports, in addition to numerous technical notes and peer reviewed papers.

  7. Reactive ion etched substrates and methods of making and using

    DOE Patents [OSTI]

    Rucker, Victor C. (San Francisco, CA); Shediac, Rene (Oakland, CA); Simmons, Blake A. (San Francisco, CA); Havenstrite, Karen L. (New York, NY)

    2007-08-07

    Disclosed herein are substrates comprising reactive ion etched surfaces and specific binding agents immobilized thereon. The substrates may be used in methods and devices for assaying or isolating analytes in a sample. Also disclosed are methods of making the reactive ion etched surfaces.

  8. Alternative Transportation Technologies: Hydrogen, Biofuels,...

    Office of Energy Efficiency and Renewable Energy (EERE) Indexed Site

    Transportation Technologies: Hydrogen, Biofuels, Advanced Efficiency, and Plug-in Hybrid Electric Vehicles Alternative Transportation Technologies: Hydrogen, Biofuels, Advanced ...

  9. Biodiesel Fuel Property Effects on Particulate Matter Reactivity

    SciTech Connect (OSTI)

    Williams, A.; Black, S.; McCormick, R. L.

    2010-06-01

    Controlling diesel particulate emissions to meet the 2007 U.S. standard requires the use of a diesel particulate filter (DPF). The reactivity of soot, or the carbon fraction of particulate matter, in the DPF and the kinetics of soot oxidation are important in achieving better control of aftertreatment devices. Studies showed that biodiesel in the fuel can increase soot reactivity. This study therefore investigated which biodiesel fuel properties impact reactivity. Three fuel properties of interest included fuel oxygen content and functionality, fuel aromatic content, and the presence of alkali metals. To determine fuel effects on soot reactivity, the performance of a catalyzed DPF was measured with different test fuels through engine testing and thermo-gravimetric analysis. Results showed no dependence on the aromatic content or the presence of alkali metals in the fuel. The presence and form of fuel oxygen was the dominant contributor to faster DPF regeneration times and soot reactivity.

  10. integrated-transportation-models

    Broader source: All U.S. Department of Energy (DOE) Office Webpages (Extended Search)

    Training Archive Integrated Transportation Models Workshop at ITM 2012 April 29, 2012 Hyatt Regency Tampa Hosted by: The Transportation Research and Analysis Computing Center at Argonne National Laboratory This email address is being protected from spambots. You need JavaScript enabled to view it. The aim of the workshop was to provide an opportunity for researchers and practitioners to discuss recent research results that can support a wider application of integrated transportation models,

  11. Future of Transportation

    Broader source: All U.S. Department of Energy (DOE) Office Webpages (Extended Search)

    Transportation In the coming decades, transportation in the U.S. is expected to change radically in response to environmental constraints, fluctuating oil availability and economic factors. Future Decision-Makers The transportation systems that emerge in the 21 st century will be defined largely by the choices, skills and imaginations of today's youth. Future Workforce As scientists and engineers, they will develop new vehicle and fuel technologies. As citizens, they will make decisions

  12. Intelligent Transportation Systems

    Broader source: All U.S. Department of Energy (DOE) Office Webpages (Extended Search)

    Intelligent Transportation Systems This email address is being protected from spambots. You need JavaScript enabled to view it. - TRACC Director Background The development and deployment of Intelligent Transportation Systems (ITS) in the United States is an effort of national importance. Through the use of advanced computing, control, and communication technologies, ITS promises to greatly improve the efficiency and safety of the existing surface transportation system and reduce the

  13. National Transportation Stakeholders Forum

    Office of Environmental Management (EM)

    N ti l T t ti National Transportation Stakeholders Forum Chicago, IL, May 26, 2010 Ahmad Al-Daouk Date and page number - 1 Director, National Security Department National Nuclear Security Administration Service Center - Albuquerque, NM National Transportation Stakeholders Forum OSRP * NNSA Contractors transporting in commerce, are required law to comply with applicable regulations required law to comply with applicable regulations (e.g. federal, local, tribal) * Great majority of NNSA shipments

  14. Radioactive Material Transportation Practices

    Broader source: Directives, Delegations, and Requirements [Office of Management (MA)]

    2002-09-23

    Establishes standard transportation practices for Departmental programs to use in planning and executing offsite shipments of radioactive materials including radioactive waste. Does not cancel other directives.

  15. Sustainable Transportation (Fact Sheet)

    SciTech Connect (OSTI)

    Not Available

    2012-09-01

    This document highlights DOE's Office of Energy Efficiency and Renewable Energy's advancements in transportation technologies, alternative fuels, and fuel cell technologies.

  16. UZ Colloid Transport Model

    SciTech Connect (OSTI)

    M. McGraw

    2000-04-13

    The UZ Colloid Transport model development plan states that the objective of this Analysis/Model Report (AMR) is to document the development of a model for simulating unsaturated colloid transport. This objective includes the following: (1) use of a process level model to evaluate the potential mechanisms for colloid transport at Yucca Mountain; (2) Provide ranges of parameters for significant colloid transport processes to Performance Assessment (PA) for the unsaturated zone (UZ); (3) Provide a basis for development of an abstracted model for use in PA calculations.

  17. Transportation Energy Futures Snapshot

    Broader source: Energy.gov [DOE]

    This snapshot is a summary of the EERE reports that provide a detailed analysis of opportunities and challenges along the path to a more sustainable transportation energy future.

  18. Transportation Energy Futures Snapshot

    Office of Energy Efficiency and Renewable Energy (EERE) Indexed Site

    modes, manage the demand for transportation, and shift the fuel mix to more sustainable sources necessary to reach these significant outcomes. Coordinating a...

  19. Natural Gas Transportation Resiliency

    Broader source: Energy.gov (indexed) [DOE]

    Transportation Resiliency Anders Johnson Director Pipeline System Design April 29, 2014 Confidential and Illustrative for discussion purposes only. The views expressed in this...

  20. NREL: Transportation Research - Capabilities

    Broader source: All U.S. Department of Energy (DOE) Office Webpages (Extended Search)

    Capabilities A Vision for Sustainable Transportation Line graph illustrating three pathways (biofuel, hydrogen, and electric vehicle) to reduce energy use and greenhouse gas ...

  1. WASTE PACKAGE TRANSPORTER DESIGN

    SciTech Connect (OSTI)

    D.C. Weddle; R. Novotny; J. Cron

    1998-09-23

    The purpose of this Design Analysis is to develop preliminary design of the waste package transporter used for waste package (WP) transport and related functions in the subsurface repository. This analysis refines the conceptual design that was started in Phase I of the Viability Assessment. This analysis supports the development of a reliable emplacement concept and a retrieval concept for license application design. The scope of this analysis includes the following activities: (1) Assess features of the transporter design and evaluate alternative design solutions for mechanical components. (2) Develop mechanical equipment details for the transporter. (3) Prepare a preliminary structural evaluation for the transporter. (4) Identify and recommend the equipment design for waste package transport and related functions. (5) Investigate transport equipment interface tolerances. This analysis supports the development of the waste package transporter for the transport, emplacement, and retrieval of packaged radioactive waste forms in the subsurface repository. Once the waste containers are closed and accepted, the packaged radioactive waste forms are termed waste packages (WP). This terminology was finalized as this analysis neared completion; therefore, the term disposal container is used in several references (i.e., the System Description Document (SDD)) (Ref. 5.6). In this analysis and the applicable reference documents, the term ''disposal container'' is synonymous with ''waste package''.

  2. Improved Geothermometry Through Multivariate Reaction-path Modeling and Evaluation of Geomicrobiological Influences on Geochemical Temperature Indicators: Final Report

    SciTech Connect (OSTI)

    Mattson, Earl; Smith, Robert; Fujita, Yoshiko; McLing, Travis; Neupane, Ghanashyam; Palmer, Carl; Reed, David; Thompson, Vicki

    2015-03-01

    The project was aimed at demonstrating that the geothermometric predictions can be improved through the application of multi-element reaction path modeling that accounts for lithologic and tectonic settings, while also accounting for biological influences on geochemical temperature indicators. The limited utilization of chemical signatures by individual traditional geothermometer in the development of reservoir temperature estimates may have been constraining their reliability for evaluation of potential geothermal resources. This project, however, was intended to build a geothermometry tool which can integrate multi-component reaction path modeling with process-optimization capability that can be applied to dilute, low-temperature water samples to consistently predict reservoir temperature within 30 C. The project was also intended to evaluate the extent to which microbiological processes can modulate the geochemical signals in some thermal waters and influence the geothermometric predictions.

  3. GaMin11 an international inter-laboratory comparison for geochemical CO? - saline fluid - mineral interaction experiments

    SciTech Connect (OSTI)

    Ostertag-Henning, C. [Federal Inst. for Geosciences and Natural Resesources (BGR), Hannover (Germany); Risse, A. [Federal Inst. for Geosciences and Natural Resesources (BGR), Hannover (Germany); Thomas, B. [United States Geological Survey, Menlo Park, CA (United States); Rosenbauer, R. [United States Geological Survey, Menlo Park, CA (United States); Rochelle, C. [British Geological Survey, Nottinghamshire (United Kingdom); Purser, G. [British Geological Survey, Nottinghamshire (United Kingdom); Kilpatrick, A. [British Geological Survey, Nottinghamshire (United Kingdom); Rosenqvist, J. [Univ. of Leeds (United Kingdom); Yardley, B. [Univ. of Leeds (United Kingdom); Karamalidis, A. [Carnegie Mellon Univ., Pittsburgh, PA (United States); Griffith, C. [National Energy Technology Lab., Pittsburgh, PA (United States); Hedges, S. [National Energy Technology Lab., Pittsburgh, PA (United States); Dilmore, R. [National Energy Technology Lab., Pittsburgh, PA (United States); Goodman, A. [National Energy Technology Lab., Pittsburgh, PA (United States); Black, J. [Univ. of Melbourne, (Austrialia); Haese, R. [Univ. of Melbourne, (Austrialia); Deusner, C. [hGEOMAR Helmholtz Center for Ocean Research, Kiel (Germany); Bigalke, N. [hGEOMAR Helmholtz Center for Ocean Research, Kiel (Germany); Haeckel, M. [hGEOMAR Helmholtz Center for Ocean Research, Kiel (Germany); Fischer, S. [GFZ German Research Centre for Geosciences, Potsdam (Germany); Liebscher, A. [GFZ German Research Centre for Geosciences, Potsdam (Germany); Icenhower, J. P. [Lawrence Berkeley National Lab. (LBNL), Berkeley, CA (United States); Daval, D. [Lawrence Berkeley National Lab. (LBNL), Berkeley, CA (United States); Saldi, G. D. [Lawrence Berkeley National Lab. (LBNL), Berkeley, CA (United States); Knauss, K. G. [Lawrence Berkeley National Lab. (LBNL), Berkeley, CA (United States); Schmidt, M. [Martin Luther Univ., Halle (Germany); Mito, S. [Research Inst. of Innovative Tech. for the Earth (RITE), Kyoto (Japan); Sorai, M. [National Inst. of Advanced Science and Tech. (AIST) Tsukuba (Japan); Truche, L. [GeoRessources, Universite de Lorraine, Nancy (France)

    2014-12-31

    Due to the strong interest in geochemical CO?-fluid-rock interaction in the context of geological storage of CO? a growing number of research groups have used a variety of different experimental ways to identify important geochemical dissolution or precipitation reactions and if possible quantify the rates and extent of mineral or rock alteration. In this inter-laboratory comparison the gas-fluid-mineral reactions of three samples of rock-forming minerals have been investigated by 11 experimental labs. The reported results point to robust identification of the major processes in the experiments by most groups. The dissolution rates derived from the changes in composition of the aqueous phase are consistent overall, but the variation could be reduced by using similar corrections for changing parameters in the reaction cells over time. The comparison of experimental setups and procedures as well as of data corrections identified potential improvements for future gas-fluid-rock studies.

  4. The low temperature hydrothermal system of Campiglia, Tuscany (Italy); A geochemical approach

    SciTech Connect (OSTI)

    Celati, R.; Grassi, S.; D'Amore, F.; Marcolini, L. )

    1991-01-01

    This paper reports on the Campiglia hydrothermal system which is a low temperature hydrothermal system located in southwestern Tuscany, a region of Italy characterized by intense geothermal activity and by the presence of high temperature exploited geothermal reservoirs. Six water-points, with temperatures ranging between 20 and 47{degrees} C and different chemical and isotopic compositions, are found close to the margins of outcrops of the main regional aquifer formation. Systematic hydrogeological, geochemical and isotopic observations and temperature measurements were carried out on the different springs and wells for a period of three years (1984-1986). Constant water characteristics with time were observed in four water-points; two wells had variable trends depending on mixing processes. A groundwater circulation model characterized by flowpaths of different length and depth is suggested by the variety of chemical and isotopic characteristics and is consistent with geothermometry, which indicates temperatures up to 25{degrees} C higher than those measured at the spring emergencies. An important water supply to the system comes from local recharge, although regional circulation may also be present, particularly in the eastern part of the investigated area.

  5. Geochemical information for sites contaminated with low-level radioactive wastes: I. Niagara Falls Storage Site

    SciTech Connect (OSTI)

    Seeley, F.G.; Kelmers, A.D.

    1984-11-01

    The Niagara Falls Storage Site (NFSS) became radioactively contaminated as a result of wastes that were being stored from operations carried out to recover uranium from pitchblende ore in the 1940s and 1950s. The US Department of Energy (DOE) is considering various remedial action options for the NFSS. This report describes the results of geochemical investigations performed to help provide a quantitative evaluation of the effects of various options. NFSS soil and groundwater samples were characterized; and uranium and radium sorption ratios, as well as apparent concentration limit values, were measured in site soil/groundwater systems by employing batch contact methodology. The results suggest that any uranium which is in solution in the groundwater at the NFSS may be poorly retarded due to the low uranium sorption ratio values and high solubility measured. Further, appreciable concentrations of uranium in groundwater could be attained from soluble wastes. Release of uranium via groundwater migration could be a significant release pathway. Solubilized radium would be expected to be effectively retarded by soil at the NFSS as a result of the very high radium sorption ratios observed. The addition of iron oxyhydroxide to NFSS soils resulted in much higher uranium sorption ratios. Additional field testing of this potential remedial action additive could be desirable. 10 references.

  6. Microbial distributions detected by an oligonucleotide microarray across geochemical zones associated with methane in marine sediments from the Ulleung Basin

    SciTech Connect (OSTI)

    Briggs, Brandon R.; Graw, Michael; Brodie, Eoin L.; Bahk, Jang-Jun; Kim, Sung-Han; Hyun, Jung-Ho; Kim, Ji-Hoon; Torres, Marta; Colwell, Frederick S.

    2013-11-01

    The biogeochemical processes that occur in marine sediments on continental margins are complex; however, from one perspective they can be considered with respect to three geochemical zones based on the presence and form of methane: sulfatemethane transition (SMTZ), gas hydrate stability zone (GHSZ), and free gas zone (FGZ). These geochemical zones may harbor distinct microbial communities that are important in biogeochemical carbon cycles. The objective of this study was to describe the microbial communities in sediments from the SMTZ, GHSZ, and FGZ using molecular ecology methods (i.e. PhyloChip microarray analysis and terminal restriction fragment length polymorphism (T-RFLP)) and examining the results in the context of non-biological parameters in the sediments. Non-metric multidimensional scaling and multi-response permutation procedures were used to determine whether microbial community compositions were significantly different in the three geochemical zones and to correlate samples with abiotic characteristics of the sediments. This analysis indicated that microbial communities from all three zones were distinct from one another and that variables such as sulfate concentration, hydrate saturation of the nearest gas hydrate layer, and depth (or unmeasured variables associated with depth e.g. temperature, pressure) were correlated to differences between the three zones. The archaeal anaerobic methanotrophs typically attributed to performing anaerobic oxidation of methane were not detected in the SMTZ; however, the marine benthic group-B, which is often found in SMTZ, was detected. Within the GHSZ, samples that were typically closer to layers that contained higher hydrate saturation had indicator sequences related to Vibrio-type taxa. These results suggest that the biogeographic patterns of microbial communities in marine sediments are distinct based on geochemical zones defined by methane.

  7. Geochemical Impacts of Carbon Dioxide, Brine, Trace Metal and Organic Leakage into an Unconfined, Oxidizing Limestone Aquifer

    Office of Scientific and Technical Information (OSTI)

    3 (2014) 4684 - 4707 Energy Procedia GHGT-12 Geochemical impacts of carbon dioxide, brine, trace metal and organic leakage into an unconfined, oxidizing limestone aquifer Diana H. Bacon3'* *, Zhenxue Daib, Liange Zhengc "Pacific Northwest National Laboratory, Richland, Washington, USA bLos Alamos National Laboratory, Los Alamos, New Mexico, USA cLawrence Berkeley National Laboratory, Berkeley, California, USA Abstract An important risk at CO2 storage sites is the potential for groundwater

  8. Method for generating a highly reactive plasma for exhaust gas aftertreatment and enhanced catalyst reactivity

    DOE Patents [OSTI]

    Whealton, John H. (Oak Ridge, TN); Hanson, Gregory R. (Clinton, TN); Storey, John M. (Oak Ridge, TN); Raridon, Richard J. (Oak Ridge, TN); Armfield, Jeffrey S. (Ypsilanti, MI); Bigelow, Timothy S. (Knoxville, TN); Graves, Ronald L. (Knoxville, TN)

    2002-01-01

    A method for non-thermal plasma aftertreatment of exhaust gases the method comprising the steps of providing short risetime, high frequency, high power bursts of low-duty factor microwaves sufficient to generate a plasma discharge and passing a gas to be treated through the discharge so as to cause dissociative reduction of the exhaust gases and enhanced catalyst reactivity through application of the pulsed microwave fields directly to the catalyst material sufficient to cause a polarizability catastrophe and enhanced heating of the metal crystallite particles of the catalyst, and in the presence or absence of the plasma. The invention also includes a reactor for aftertreatment of exhaust gases.

  9. Regional respiratory tract absorption of inhaled reactive gases

    SciTech Connect (OSTI)

    Miller, F.J.; Overton, J.H.; Kimbell, J.S.; Russell, M.L.

    1992-06-29

    Highly reactive gases present unique problems due to the number of factors which must be taken into account to determine regional respiratory tract uptake. The authors reviewed some of the physical, chemical, and biological factors that affect dose and that must be understood to interpret toxicological data, to evaluate experimental dosimetry studies, and to develop dosimetry models. Selected dosimetry experiments involving laboratory animals and humans were discussed, showing the variability and uptake according to animal species and respiratory tract region for various reactive gases. New experimental dosimetry approaches, such as those involving isotope ratio mass spectroscopy and cyclotron generation reactive gases, were discussed that offer great promise for improving the ability to study regional respiratory tract absorption of reactive gases. Various dosimetry modeling applications were discussed which demonstrate: the importance of airflow patterns for site-specific dosimetry in the upper respiratory tract, the influence of the anatomical model used to make inter- and intraspecies dosimetric comparisons, the influence of tracheobronchial path length on predicted dose curves, and the implications of ventilatory unit structure and volume on dosimetry and response. Collectively, these examples illustrate important aspects of regional respiratory tract absorption of inhaled reactive gases. Given the complex nature of extent and pattern of injury in the respiratory tract from exposure to reactive gases, understanding interspecies differences in the absorption of reactive gases will continue to be an important area for study.

  10. Transport Version 3

    Energy Science and Technology Software Center (OSTI)

    2008-05-16

    The Transport version 3 (T3) system uses the Network News Transfer Protocol (NNTP) to move data from sources to a Data Reporisoty (DR). Interested recipients subscribe to newsgroups to retrieve data. Data in transport is protected by AES-256 and RSA cryptographic services provided by the external OpenSSL cryptographic libraries.

  11. Packaging and Transportation Safety

    Broader source: Directives, Delegations, and Requirements [Office of Management (MA)]

    2003-04-04

    To establish safety requirements for the proper packaging and transportation of Department of Energy (DOE)/National Nuclear Security Administration (NNSA) offsite shipments and onsite transfers of hazardous materials and for modal transport. Cancels DOE O 460.1A. Canceled by DOE O 460.1C.

  12. Experimental Observation of Quantum Oscillation of Surface Chemical Reactivities

    SciTech Connect (OSTI)

    Ma, X.; Jiang, P.; Qi, Y.; Jia, J.; Yang, Y.; Duan, W.; Li, W. X.; Bao, X.; Zhang, S. B.

    2007-05-29

    Here we present direct observation of a quantum reactivity with respect to the amounts of O2 adsorbed and the rates of surface oxidation as a function of film thickness on ultrathin (2-6 nm) Pb mesas by scanning tunneling microscopy. Simultaneous spectroscopic measurements on the electronic structures reveal a quantum oscillation that originates from quantum well states of the mesas, as a generalization of the Fabry-P{acute e}rot modes of confined electron waves. We expect the quantum reactivity to be a general phenomenon for most ultrathin metal films with broad implications, such as nanostructure tuning of surface reactivities and rational design of heterogeneous catalysts.

  13. Method for preparing hydride configurations and reactive metal surfaces

    DOE Patents [OSTI]

    Silver, G.L.

    1984-05-18

    A method for preparing reactive metal surfaces, particularly uranium surfaces is disclosed, whereby the metal is immediately reactive to hydrogen gas at room temperature and low pressure. The metal surfaces are first pretreated by exposure to an acid which forms an adherent hydride-bearing composition on the metal surface. Subsequent heating of the pretreated metal at a temperature sufficient to decompose the hydride coating in vacuum or inert gas renders the metal surface instantaneously reactive to hydrogen gas at room temperature and low pressure.

  14. Highly reactive light-dependent monoterpenes in the Amazon

    SciTech Connect (OSTI)

    Jardine, A. B.; Jardine, K. J.; Fuentes, J. D.; Martin, S. T.; Martins, G.; Durgante, F.; Carneiro, V.; Higuchi, N.; Manzi, A. O.; Chambers, J. Q.

    2015-03-06

    Despite orders of magnitude difference in atmospheric reactivity and great diversity in biological functioning, little is known about monoterpene speciation in tropical forests. Here we report vertically resolved ambient air mixing ratios for 12 monoterpenes in a central Amazon rainforest including observations of the highly reactive cis-β-ocimene (160 ppt), trans-β-ocimene (79 ppt), and terpinolene (32 ppt) which accounted for an estimated 21% of total monoterpene composition yet 55% of the upper canopy monoterpene ozonolysis rate. All 12 monoterpenes showed a mixing ratio peak in the upper canopy, with three demonstrating subcanopy peaks in 7 of 11 profiles. Leaf level emissions of highly reactive monoterpenes accounted for up to 1.9% of photosynthesis confirming light-dependent emissions across several Amazon tree genera. These results suggest that highly reactive monoterpenes play important antioxidant roles during photosynthesis in plants and serve as near-canopy sources of secondary organic aerosol precursors through atmospheric photooxidation via ozonolysis.

  15. Enhanced durability and reactivity for zinc ferrite desulfurization sorbent

    SciTech Connect (OSTI)

    Jha, M.C.; Berggren, M.H.

    1987-10-27

    AMAX Research Development Center (AMAX R D) has been investigating methods for improving the reactivity and durability of the zinc ferrite desulfurization sorbent. Zinc ferrite sorbents are intended for use in desulfurization of hog coal gas in integrated gasification combined cycle (IGCC) or molten carbonate fuel cell (MCFC) applications. The reactivity of the sorbent may be defined as its sulfur sorption capacity at the breakthrough point in a bench-scale fixed-bed reactor. The durability may be defined as the ability of the sorbent to maintain its reactivity and other important physical characteristics such as size, strength, and specific surface area during 10 cycles of sulfidation and regeneration. Two base case sorbents, spherical pellets and cylindrical extrudes used in related METC sponsored projects, are being used to provide a basis for the comparison of physical characteristics and chemical reactivity.

  16. Analytical methods for determining the reactivity of pyrochemical salts

    SciTech Connect (OSTI)

    Phillips, A.G.; Stakebake, J.L.

    1994-05-01

    Pyrochemical processes used for the purification of plutonium have generated quantities of residue that contain varying amounts of reactive metals such as potassium, sodium, calcium, and magnesium. These residues are currently considered hazardous and are being managed under RCRA because of the reactivity characteristic. This designation is based solely on process knowledge. Currently there is no approved procedure for determining the reactivity of a solid with water. A method is being developed to rapidly evaluate the reactivity of pyrochemical salts with water by measuring the rate of hydrogen generation. The method was initially tested with a magnesium containing pyrochemical salt. A detection limit of approximately 0.004 g of magnesium was established. A surrogate molten salt extraction residue was also tested. Extrapolation of test data resulted in a hydrogen generation rate of 4.4 mg/(g min).

  17. Pre-plated reactive diffusion-bonded battery electrode plaques

    DOE Patents [OSTI]

    Maskalick, Nicholas J. (Pittsburgh, PA)

    1984-01-01

    A high strength, metallic fiber battery plaque is made using reactive diffusion bonding techniques, where a substantial amount of the fibers are bonded together by an iron-nickel alloy.

  18. NREL: Transportation Research - Transportation and Hydrogen Newsletter:

    Broader source: All U.S. Department of Energy (DOE) Office Webpages (Extended Search)

    Hydrogen and Fuel Cell Technology Hydrogen and Fuel Cell Technology This is the May 2015 issue of the Transportation and Hydrogen Newsletter. May 28, 2015 Photo of a car refueling at a hydrogen dispensing station. DOE's H2FIRST project focuses on accelerating the acceptance of hydrogen infrastructure. Photo by John De La Rosa, NREL 33660 New H2FIRST Reports Detail Hydrogen Station Designs, Contaminant Detection Two new reports have been published by NREL and Sandia National Laboratories

  19. NREL: Transportation Research - Transportation and Hydrogen Newsletter:

    Broader source: All U.S. Department of Energy (DOE) Office Webpages (Extended Search)

    Sustainable Mobility Sustainable Mobility This is the January 2016 issue of the Transportation and Hydrogen Newsletter. January 26, 2016 Photo of a red electric vehicle in front of ESIF A recent mobility workshop showcased an array of plug-in electric, hybrid electric, and hydrogen fuel cell vehicles. Image by Ellen Jaskol/NREL 35097 Summit Explores the Future of Dynamic Mobility Systems NREL brought together local and national thought leaders to discuss the convergence of connectivity,

  20. Geochemical information for sites contaminated with low-level radioactive wastes. III. Weldon Spring Storage Site

    SciTech Connect (OSTI)

    Seeley, F.G.; Kelmers, A.D.

    1985-02-01

    The Weldon Spring Storage Site (WSSS), which includes both the chemical site and the quarry, became radioactively contaminated as the result of wastes that were being stored from operations to recover uranium from pitchblende ores in the 1940s and 1950s. The US Department of Energy (DOE) is considering various remedial action options for the WSSS. This report describes the results of geochemical investigations carried out at Oak Ridge National Laboratory (ORNL) to support these activities and to help quantify various remedial action options. Soil and groundwater samples were characterized, and uranium and radium sorption ratios were measured in site soil/groundwater systems by batch contact methodology. Soil samples from various locations around the raffinate pits were found to contain major amounts of silica, along with illite as the primary clay constituent. Particle sizes of the five soil samples were variable (50% distribution point ranging from 12 to 81 ..mu..m); the surface areas varied from 13 to 62 m/sup 2//g. Elemental analysis of the samples showed them to be typical of sandy clay and silty clay soils. Groundwater samples included solution from Pit 3 and well water from Well D. Anion analyses showed significant concentrations of sulfate and nitrate (>350 and >7000 mg/L, respectively) in the solution from Pit 3. These anions were also present in the well water, but in lower concentrations. Uranium sorption ratios for four of the soil samples contacted with the solution from Pit 3 were moderate to high (approx. 300 to approx. 1000 mL/g). The fifth sample had a ratio of only 12 mL/g. Radium sorption ratios for the five samples were moderate to high (approx. 600 to approx. 1000 mL/g). These values indicate that soil at the WSSS may show favorable retardation of uranium and radium in the groundwater. 13 references, 13 figures, 10 tables.

  1. Geochemical Evidence of the Seasonality, Affinity and Pigmenation of Solenopora jurassica

    DOE Public Access Gateway for Energy & Science Beta (PAGES Beta)

    Barden, Holly E.; Behnsen, Julia; Bergmann, Uwe; Leng, Melanie J.; Manning, Phillip L.; Withers, Philip J.; Wogelius, Roy A.; van Dongen, Bart E.; Silva, Lucas C. R.

    2015-09-14

    Solenopora jurassica is a fossil calcareous alga that functioned as an important reef-building organism during the Palaeozoic. It is of significant palaeobiological interest due to its distinctive but poorly understood pink and white banding. Though widely accepted as an alga there is still debate over its taxonomic affinity, with recent work arguing that it should be reclassified as a chaetetid sponge. The banding is thought to be seasonal, but there is no conclusive evidence for this. Other recent work has, however demonstrated the presence of a unique organic boron-containing pink/red pigment in the pink bands of S. jurassica. We presentmore » new geochemical evidence concerning the seasonality and pigmentation of S. jurassica. Seasonal growth cycles are demonstrated by X-ray radiography, which shows differences in calcite density, and by varying δ13C composition of the bands. Temperature variation in the bands is difficult to constrain accurately due to conflicting patterns arising from Mg/Ca molar ratios and δ18O data. Fluctuating chlorine levels indicate increased salinity in the white bands, when combined with the isotope data this suggests more suggestive of marine conditions during formation of the white band and a greater freshwater component (lower chlorinity) during pink band precipitation (δ18O). Increased photosynthesis is inferred within the pink bands in comparison to the white, based on δ13C. Pyrolysis Gas Chromatography Mass Spectrometry (Py-GCMS) and Fourier Transform Infrared Spectroscopy (FTIR) show the presence of tetramethyl pyrrole, protein moieties and carboxylic acid groups, suggestive of the presence of the red algal pigment phycoerythrin. This is consistent with the pink colour of S. jurassica. As phycoerythrin is only known to occur in algae and cyanobacteria, and no biomarker evidence of bacteria or sponges was detected we conclude S. jurassica is most likely an alga. Pigment analysis may be a reliable classification method for fossil algae.« less

  2. Characterizing Microbial Community and Geochemical Dynamics at Hydrothermal Vents Using Osmotically Driven Continuous Fluid Samplers

    SciTech Connect (OSTI)

    Robidart, Julie C.; Callister, Stephen J.; Song, Peng F.; Nicora, Carrie D.; Wheat, Charles G.; Girguis, Peter R.

    2013-05-07

    Microbes play a key role in mediating all aquatic biogeochemical cycles, and ongoing efforts are aimed at better understanding the relationships between microbial phylogenetic and physiological diversity, and habitat physical and chemical characteristics. Establishing such relationships is facilitated by sampling and studying microbiology and geochemistry at the appropriate spatial and temporal scales, to access information on the past and current environmental state that contributes to observed microbial abundances and activities. A modest number of sampling systems exist to date, few of which can be used in remote, harsh environments such as hydrothermal vents, where the ephemeral nature of venting underscores the necessity for higher resolution sampling. We have developed a robust, continuous fluid sampling system for co-registered microbial and biogeochemical analyses. The osmosis-powered bio-osmosampling system (BOSS) use no electricity, collects fluids with daily resolution or better, can be deployed in harsh, inaccessible environments and can sample fluids continuously for up to five years. Here we present a series of tests to examine DNA, RNA and protein stability over time, as well as material compatability, via lab experiments. We also conducted two field deployments at deep-sea hydrothermal vents to assess changes in microbial diversity and protein expression as a function of the physico-chemical environment. Our data reveal significant changes in microbial community composition co-occurring with relatively modest changes in the geochemistry. These data additionally provide new insights into the distribution of an enigmatic sulfur oxidizing symbiont in its free-living state. Data from the second deployment reveal differences in the representation of peptides over time, underscoring the utility of the BOSS in meta-proteomic studies. In concert, these data demonstrate the efficacy of this approach, and illustrate the value of using this method to study microbial and geochemical phenomena.

  3. Geochemical Evidence of the Seasonality, Affinity and Pigmenation of Solenopora jurassica

    SciTech Connect (OSTI)

    Barden, Holly E.; Behnsen, Julia; Bergmann, Uwe; Leng, Melanie J.; Manning, Phillip L.; Withers, Philip J.; Wogelius, Roy A.; van Dongen, Bart E.; Silva, Lucas C. R.

    2015-09-14

    Solenopora jurassica is a fossil calcareous alga that functioned as an important reef-building organism during the Palaeozoic. It is of significant palaeobiological interest due to its distinctive but poorly understood pink and white banding. Though widely accepted as an alga there is still debate over its taxonomic affinity, with recent work arguing that it should be reclassified as a chaetetid sponge. The banding is thought to be seasonal, but there is no conclusive evidence for this. Other recent work has, however demonstrated the presence of a unique organic boron-containing pink/red pigment in the pink bands of S. jurassica. We present new geochemical evidence concerning the seasonality and pigmentation of S. jurassica. Seasonal growth cycles are demonstrated by X-ray radiography, which shows differences in calcite density, and by varying ?13C composition of the bands. Temperature variation in the bands is difficult to constrain accurately due to conflicting patterns arising from Mg/Ca molar ratios and ?18O data. Fluctuating chlorine levels indicate increased salinity in the white bands, when combined with the isotope data this suggests more suggestive of marine conditions during formation of the white band and a greater freshwater component (lower chlorinity) during pink band precipitation (?18O). Increased photosynthesis is inferred within the pink bands in comparison to the white, based on ?13C. Pyrolysis Gas Chromatography Mass Spectrometry (Py-GCMS) and Fourier Transform Infrared Spectroscopy (FTIR) show the presence of tetramethyl pyrrole, protein moieties and carboxylic acid groups, suggestive of the presence of the red algal pigment phycoerythrin. This is consistent with the pink colour of S. jurassica. As phycoerythrin is only known to occur in algae and cyanobacteria, and no biomarker evidence of bacteria or sponges was detected we conclude S. jurassica is most likely an alga. Pigment analysis may be a reliable classification method for fossil algae.

  4. Reactive and Catalytic Air Purification Materials - Energy Innovation

    Broader source: All U.S. Department of Energy (DOE) Office Webpages (Extended Search)

    Portal Building Energy Efficiency Building Energy Efficiency Advanced Materials Advanced Materials Find More Like This Return to Search Reactive and Catalytic Air Purification Materials Naval Research Laboratory Contact NRL About This Technology Publications: PDF Document Publication AirPurification (546 KB) Technology Marketing SummarySorbents for the removal of toxic in-dustrial gases such as ammonia and phosgene. The materials offer reactive and/or catalytic sites within a high surface

  5. Reactive Molecular Simulations of Protonation of Water Clusters and

    Office of Scientific and Technical Information (OSTI)

    Depletion of Acidity in H-ZSM-5 Zeolite (Journal Article) | SciTech Connect Reactive Molecular Simulations of Protonation of Water Clusters and Depletion of Acidity in H-ZSM-5 Zeolite Citation Details In-Document Search Title: Reactive Molecular Simulations of Protonation of Water Clusters and Depletion of Acidity in H-ZSM-5 Zeolite Authors: Joshi, Kaushik L. [1] ; Psofogiannakis, George [1] ; Van Duin, Adri C. T. [2] ; Raman, Sumathy [3] + Show Author Affiliations Pennsylvania State

  6. Inducing and Quantifying Forbidden Reactivity with Single Molecule Polymer

    Office of Scientific and Technical Information (OSTI)

    Mechanochemistry (Journal Article) | SciTech Connect Inducing and Quantifying Forbidden Reactivity with Single Molecule Polymer Mechanochemistry Citation Details In-Document Search Title: Inducing and Quantifying Forbidden Reactivity with Single Molecule Polymer Mechanochemistry Authors: Wang, J ; Kouznetsova, T B ; Niu, Z ; Ong, M T ; Klukovich, H M ; Rheingold, A L ; Martinez, T J ; Craig, S L Publication Date: 2014-11-05 OSTI Identifier: 1184168 Report Number(s): LLNL-JRNL-663754 DOE

  7. Inducing and Quantifying Forbidden Reactivity with Single Molecule Polymer

    Office of Scientific and Technical Information (OSTI)

    Mechanochemistry (Journal Article) | SciTech Connect Inducing and Quantifying Forbidden Reactivity with Single Molecule Polymer Mechanochemistry Citation Details In-Document Search Title: Inducing and Quantifying Forbidden Reactivity with Single Molecule Polymer Mechanochemistry × You are accessing a document from the Department of Energy's (DOE) SciTech Connect. This site is a product of DOE's Office of Scientific and Technical Information (OSTI) and is provided as a public service. Visit

  8. Low Reactivity SI Engine Lubricant Program | Department of Energy

    Office of Energy Efficiency and Renewable Energy (EERE) Indexed Site

    Reactivity SI Engine Lubricant Program Low Reactivity SI Engine Lubricant Program Results showed that lubricant improvement allowed up to 4 degree improvement in spark advance at knock limited conditions resulting in potentially over 3 percent indicated efficiency improvement PDF icon deer11_alger.pdf More Documents & Publications Fuel & Lubricant Technologies Ionic Liquids as Novel Engine Lubricants or Lubricant Additives Fuel & Lubricant Technologies R&D

  9. Advancing Reactive Tracer Methods for Measurement of Thermal Evolution in

    Office of Scientific and Technical Information (OSTI)

    Geothermal Reservoirs: Final Report (Technical Report) | SciTech Connect Technical Report: Advancing Reactive Tracer Methods for Measurement of Thermal Evolution in Geothermal Reservoirs: Final Report Citation Details In-Document Search Title: Advancing Reactive Tracer Methods for Measurement of Thermal Evolution in Geothermal Reservoirs: Final Report The injection of cold fluids into engineered geothermal system (EGS) and conventional geothermal reservoirs may be done to help extract heat

  10. Chemical Imaging and Dynamical Studies of Reactivity and Emergent Behavior

    Office of Scientific and Technical Information (OSTI)

    in Complex Interfacial Systems. Final Technical Report (Technical Report) | SciTech Connect Chemical Imaging and Dynamical Studies of Reactivity and Emergent Behavior in Complex Interfacial Systems. Final Technical Report Citation Details In-Document Search Title: Chemical Imaging and Dynamical Studies of Reactivity and Emergent Behavior in Complex Interfacial Systems. Final Technical Report This research program explored the efficacy of using molecular-level manipulation, imaging and

  11. Directional Reactive Power Ground Plane Transmission - Energy Innovation

    Broader source: All U.S. Department of Energy (DOE) Office Webpages (Extended Search)

    Portal Vehicles and Fuels Vehicles and Fuels Energy Storage Energy Storage Find More Like This Return to Search Directional Reactive Power Ground Plane Transmission Oak Ridge National Laboratory Contact ORNL About This Technology Technology Marketing SummaryORNL researchers have developed a pioneering power alternative to batteries using directional reactive power. Batteries are currently the primary option for powering mobile electronic equipment; however, batteries are heavy and battery

  12. Shock Desensitization Experiments and Reactive Flow Modeling on

    Office of Scientific and Technical Information (OSTI)

    Self-Sustaining LX-17 Detonation Waves (Conference) | SciTech Connect Shock Desensitization Experiments and Reactive Flow Modeling on Self-Sustaining LX-17 Detonation Waves Citation Details In-Document Search Title: Shock Desensitization Experiments and Reactive Flow Modeling on Self-Sustaining LX-17 Detonation Waves Authors: Vandersall, K S ; Garcia, F ; Tarver, C M ; Fried, L E Publication Date: 2014-06-24 OSTI Identifier: 1169869 Report Number(s): LLNL-CONF-656218

  13. Fermilab | Visit Fermilab | Transportation

    Broader source: All U.S. Department of Energy (DOE) Office Webpages (Extended Search)

    Transportation Transportation to and from Chicago O'Hare Airport or Midway Airport is available by limousine, taxi or car rental. Transportation to and from the Geneva local commuter Metra train station on the Union Pacific West line is available by taxi or Pace Call-n-Ride. Car rental All of the usual rental companies (such as Hertz, Avis, Budget and National) are located at the airports. For the best price, we recommend Ace Rent-a-Car at O'Hare Airport, telephone 1-800-243-3443 or

  14. National Transportation Stakeholders Forum

    Office of Environmental Management (EM)

    Transportation Stakeholders Forum May 14-16, 2013 Tuesday, May 14 7:00 am - 5:00 pm Registration Niagara Foyer 7:00 am - 7:45 am Breakfast and Networking Grand A 8:00 am - 10:00 am National Updates for Transportation Stakeholder Groups and Guests - Panel Grand BC Moderator: John Giarrusso Jr., MA Emergency Management Agency / Northeast High-Level Radioactive Waste Transportation Task Force Co-Chair US Department of Energy, Office of Environmental Management - Steve O'Connor, Director, Office of

  15. EBS Radionuclide Transport Abstraction

    SciTech Connect (OSTI)

    J.D. Schreiber

    2005-08-25

    The purpose of this report is to develop and analyze the engineered barrier system (EBS) radionuclide transport abstraction model, consistent with Level I and Level II model validation, as identified in ''Technical Work Plan for: Near-Field Environment and Transport: Engineered Barrier System: Radionuclide Transport Abstraction Model Report Integration'' (BSC 2005 [DIRS 173617]). The EBS radionuclide transport abstraction (or EBS RT Abstraction) is the conceptual model used in the total system performance assessment for the license application (TSPA-LA) to determine the rate of radionuclide releases from the EBS to the unsaturated zone (UZ). The EBS RT Abstraction conceptual model consists of two main components: a flow model and a transport model. Both models are developed mathematically from first principles in order to show explicitly what assumptions, simplifications, and approximations are incorporated into the models used in the TSPA-LA. The flow model defines the pathways for water flow in the EBS and specifies how the flow rate is computed in each pathway. Input to this model includes the seepage flux into a drift. The seepage flux is potentially split by the drip shield, with some (or all) of the flux being diverted by the drip shield and some passing through breaches in the drip shield that might result from corrosion or seismic damage. The flux through drip shield breaches is potentially split by the waste package, with some (or all) of the flux being diverted by the waste package and some passing through waste package breaches that might result from corrosion or seismic damage. Neither the drip shield nor the waste package survives an igneous intrusion, so the flux splitting submodel is not used in the igneous scenario class. The flow model is validated in an independent model validation technical review. The drip shield and waste package flux splitting algorithms are developed and validated using experimental data. The transport model considers advective transport and diffusive transport from a breached waste package. Advective transport occurs when radionuclides that are dissolved or sorbed onto colloids (or both) are carried from the waste package by the portion of the seepage flux that passes through waste package breaches. Diffusive transport occurs as a result of a gradient in radionuclide concentration and may take place while advective transport is also occurring, as well as when no advective transport is occurring. Diffusive transport is addressed in detail because it is the sole means of transport when there is no flow through a waste package, which may dominate during the regulatory compliance period in the nominal and seismic scenarios. The advective transport rate, when it occurs, is generally greater than the diffusive transport rate. Colloid-facilitated advective and diffusive transport is also modeled and is presented in detail in Appendix B of this report.

  16. The Geography of Transport Systems-Maritime Transportation |...

    Open Energy Info (EERE)

    report Website: people.hofstra.edugeotransengch3enconc3ench3c4en.html Cost: Free Language: English References: Maritime Transportation1 "Maritime transportation, similar to...

  17. Transportation Data Programs:Transportation Energy Data Book...

    Office of Energy Efficiency and Renewable Energy (EERE) Indexed Site

    Energy Data Book,Vehicle Technologies Market Report, and VT Fact of the Week Transportation Data Programs:Transportation Energy Data Book,Vehicle Technologies ...

  18. Radiocarbon as a Reactive Tracer for Tracking Permanent CO2 Storage in Basaltic Rocks

    SciTech Connect (OSTI)

    Matter, Juerg; Stute, Martin; Schlosser, Peter; Broecker, Wallace

    2015-09-30

    In view of concerns about the long-term integrity and containment of CO2 storage in geologic reservoirs, many efforts have been made to improve the monitoring, verification and accounting methods for geologically stored CO2. Our project aimed to demonstrate that carbon-14 (14C) could be used as a reactive tracer to monitor geochemical reactions and evaluate the extent of mineral trapping of CO2 in basaltic rocks. The capacity of a storage reservoir for mineral trapping of CO2 is largely a function of host rock composition. Mineral carbonation involves combining CO2 with divalent cations including Ca2+, Mg2+ and Fe2+. The most abundant geological sources for these cations are basaltic rocks. Based on initial storage capacity estimates, we know that basalts have the necessary capacity to store million to billion tons of CO2 via in situ mineral carbonation. However, little is known about CO2-fluid-rock reactions occurring in a basaltic storage reservoir during and post-CO2 injection. None of the common monitoring and verification techniques have been able to provide a surveying tool for mineral trapping. The most direct method for quantitative monitoring and accounting involves the tagging of the injected CO2 with 14C because 14C is not present in deep geologic reservoirs prior to injection. Accordingly, we conducted two CO2 injection tests at the CarbFix pilot injection site in Iceland to study the feasibility of 14C as a reactive tracer for monitoring CO2-fluid-rock reactions and CO2 mineralization. Our newly developed monitoring techniques, using 14C as a reactive tracer, have been successfully demonstrated. For the first time, permanent and safe disposal of CO2 as environmentally benign carbonate minerals in basaltic rocks could be shown. Over 95% of the injected CO2 at the CarbFix pilot injection site was mineralized to carbonate minerals in less than two years after injection. Our monitoring results confirm that CO2 mineralization in basaltic rocks is far faster than previously postulated.

  19. Transportation Baseline Report

    SciTech Connect (OSTI)

    Fawcett, Ricky Lee; Kramer, George Leroy Jr.

    1999-12-01

    The National Transportation Program 1999 Transportation Baseline Report presents data that form a baseline to enable analysis and planning for future Department of Energy (DOE) Environmental Management (EM) waste and materials transportation. In addition, this Report provides a summary overview of DOEs projected quantities of waste and materials for transportation. Data presented in this report were gathered as a part of the IPABS Spring 1999 update of the EM Corporate Database and are current as of July 30, 1999. These data were input and compiled using the Analysis and Visualization System (AVS) which is used to update all stream-level components of the EM Corporate Database, as well as TSD System and programmatic risk (disposition barrier) information. Project (PBS) and site-level IPABS data are being collected through the Interim Data Management System (IDMS). The data are presented in appendices to this report.

  20. Accident resistant transport container

    DOE Patents [OSTI]

    Andersen, John A. (Albuquerque, NM); Cole, James K. (Albuquerque, NM)

    1980-01-01

    The invention relates to a container for the safe air transport of plutonium having several intermediate wood layers and a load spreader intermediate an inner container and an outer shell for mitigation of shock during a hypothetical accident.

  1. Transportation | Open Energy Information

    Open Energy Info (EERE)

    Data From AEO2011 report . Market Trends From 2009 to 2035, transportation sector energy consumption grows at an average annual rate of 0.6 percent (from 27.2 quadrillion Btu...

  2. PBA Transportation Websites

    Broader source: Energy.gov [DOE]

    PBA Transportation Websites presented to the DOE Systems Analysis Workshop held in Washington, D.C. July 28-29, 2004 to discuss and define role of systems analysis in DOE Hydrogen Program.

  3. Transportation Data Archiving

    Broader source: All U.S. Department of Energy (DOE) Office Webpages (Extended Search)

    Transportation Data Archiving This email address is being protected from spambots. You need JavaScript enabled to view it. - TRACC Director Background Urban and regional transportation planning and operations applications, (e.g. traffic modeling) require a large volume of accurate traffic-related data for a wide range of conditions. Significant real-time data on traffic volumes, highway construction, accidents, weather, airline flights, commuter and rail schedules, etc., are recorded each day by

  4. Fluid transport container

    DOE Patents [OSTI]

    DeRoos, Bradley G. (41 James St., Sequim, WA 98382); Downing, Jr., John P. (260 Kala Heights Dr., Port Townsand, WA 98368); Neal, Michael P. (921 Amberly Pl., Columbus, OH 43220)

    1995-01-01

    An improved fluid container for the transport, collection, and dispensing of a sample fluid that maintains the fluid integrity relative to the conditions of the location at which it is taken. More specifically, the invention is a fluid sample transport container that utilizes a fitment for both penetrating and sealing a storage container under controlled conditions. Additionally, the invention allows for the periodic withdrawal of portions of the sample fluid without contamination or intermixing from the environment surrounding the sample container.

  5. Transportation Politics and Policy

    Gasoline and Diesel Fuel Update (EIA)

    Reducing Greenhouse Gas Emissions from U.S. Transportation Steven Plotkin, Argonne National Laboratory (co-author is David Greene of Oak Ridge) 2011 EIA Energy Conference May 26-27, 2011 Washington, DC Overview  Presentation based on recent report from the Pew Center on Global Climate Change  Task: Assess the potential to substantially reduce transportation's GHG emissions by 2035 & 2050.  Base Case: Annual Energy Outlook 2010 Reference Case, extended to 2050  Three scenarios

  6. Transportation fuels from wood

    SciTech Connect (OSTI)

    Baker, E.G.; Elliott, D.C.; Stevens, D.J.

    1980-01-01

    The various methods of producing transportation fuels from wood are evaluated in this paper. These methods include direct liquefaction schemes such as hydrolysis/fermentation, pyrolysis, and thermochemical liquefaction. Indirect liquefaction techniques involve gasification followed by liquid fuels synthesis such as methanol synthesis or the Fischer-Tropsch synthesis. The cost of transportation fuels produced by the various methods are compared. In addition, three ongoing programs at Pacific Northwest Laboratory dealing with liquid fuels from wood are described.

  7. National Transportation Stakeholders Forum

    Office of Environmental Management (EM)

    Save the Date! National Transportation Stakeholders Forum 2015 Annual Meeting May 12-14, 2015 Embassy Suites Albuquerque, New Mexico The U.S. Department of Energy (DOE) is pleased to announce the 2015 Annual Meeting of the National Transportation Stakeholders' Forum (NTSF). The Annual Meeting will take place from May 12-14 at the Embassy Suites in Albuquerque, New Mexico. DOE will be hosting this year's meeting in partnership with the Western Governors' Association, Western Interstate Energy

  8. Transportation and Program Management Services

    Office of Environmental Management (EM)

    Atlanta, Georgia Transportation and Program Management Services Secured Transportation Services, LLC Founded: December, 2003 ff Staff: 7 Experience: Over 145 years combined experience in Nuclear Transportation, Security, HP & Operations Services Transportation The largest Transportation Coordinators of Spent Nuclear Fuel in North America On-Site, Hands-On Assistance (Before & During both Loading & Transport) P d A i t (W iti d/ R i ) Procedure Assistance (Writing and/or Review)

  9. CASL - Radiation Transport Methods Update

    Broader source: All U.S. Department of Energy (DOE) Office Webpages (Extended Search)

    Radiation Transport Methods Update The Radiation Transport Methods (RTM) focus area is responsible for the development of methods, algorithms, and implementations of radiation...

  10. Badger Transport | Open Energy Information

    Open Energy Info (EERE)

    Transport Jump to: navigation, search Name: Badger Transport Place: Clintonville, Wisconsin Zip: 54929 Product: Heavy haul and specialty trucking company active in the US Midwest....

  11. Transportation Resources | Advanced Photon Source

    Broader source: All U.S. Department of Energy (DOE) Office Webpages (Extended Search)

    Transportation Resources The following means of transportation are available for getting to Argonne. Airports Argonne is located within 25 miles of two major Chicago airports:...

  12. Washington: Integrated Transportation Programs & Coordinated...

    Office of Energy Efficiency and Renewable Energy (EERE) Indexed Site

    Integrated Transportation Programs & Coordinated Regional Planning Washington: Integrated Transportation Programs & Coordinated Regional Planning November 6, 2013 - 5:42pm Addthis ...

  13. Spring 2015 National Transportation Stakeholders Forum Meeting...

    Office of Energy Efficiency and Renewable Energy (EERE) Indexed Site

    Transportation Stakeholders Forum Meeting, New Mexico Spring 2015 National Transportation Stakeholders Forum Meeting, New Mexico Spring 2015 National Transportation Stakeholders ...

  14. California Department of Transportation | Open Energy Information

    Open Energy Info (EERE)

    Transportation Jump to: navigation, search Name: California Department of Transportation Place: Sacramento, California References: California Department of Transportation1 This...

  15. Transportation Storage Interface | Department of Energy

    Office of Environmental Management (EM)

    Storage Interface Transportation Storage Interface Regulation of Future Extended Storage and Transportation. PDF icon Transportation Storage Interface More Documents & Publications...

  16. Measuring and monitoring KIPT Neutron Source Facility Reactivity

    SciTech Connect (OSTI)

    Cao, Yan; Gohar, Yousry; Zhong, Zhaopeng

    2015-08-01

    Argonne National Laboratory (ANL) of USA and Kharkov Institute of Physics and Technology (KIPT) of Ukraine have been collaborating on developing and constructing a neutron source facility at Kharkov, Ukraine. The facility consists of an accelerator-driven subcritical system. The accelerator has a 100 kW electron beam using 100 MeV electrons. The subcritical assembly has keff less than 0.98. To ensure the safe operation of this neutron source facility, the reactivity of the subcritical core has to be accurately determined and continuously monitored. A technique which combines the area-ratio method and the flux-to-current ratio method is purposed to determine the reactivity of the KIPT subcritical assembly at various conditions. In particular, the area-ratio method can determine the absolute reactivity of the subcritical assembly in units of dollars by performing pulsed-neutron experiments. It provides reference reactivities for the flux-to-current ratio method to track and monitor the reactivity deviations from the reference state while the facility is at other operation modes. Monte Carlo simulations are performed to simulate both methods using the numerical model of the KIPT subcritical assembly. It is found that the reactivities obtained from both the area-ratio method and the flux-to-current ratio method are spatially dependent on the neutron detector locations and types. Numerical simulations also suggest optimal neutron detector locations to minimize the spatial effects in the flux-to-current ratio method. The spatial correction factors are calculated using Monte Carlo methods for both measuring methods at the selected neutron detector locations. Monte Carlo simulations are also performed to verify the accuracy of the flux-to-current ratio method in monitoring the reactivity swing during a fuel burnup cycle.

  17. Sampling designs for geochemical baseline studies in the Colorado oil shale region: a manual for practical application

    SciTech Connect (OSTI)

    Klusman, R. W.; Ringrose, C. D.; Candito, R. J.; Zuccaro, B.; Rutherford, D. W.; Dean, W. E.

    1980-06-01

    This manual presents a rationale for sampling designs, and results of geochemical baseline studies in the Colorado portion of the oil-shale region. The program consists of a systematic trace element study of soils, stream sediments, and plants carried out in a way to be conservative of human and financial resources and yield maximum information. Extension of this approach to other parameters, other locations, and to environmental baseline studies in general is a primary objective. A baseline for any geochemical parameter can be defined as the concentration of that parameter in a given medium such as soil, the range of its concentration, and the geographic scale of variability. In air quality studies, and to a lesser extent for plants, the temporal scale of variability must also be considered. In studies of soil, the temporal variablility does not become a factor until such time that a study is deemed necessary to evaluate whether or not there have been changes in baseline levels as a result of development. The manual is divided into five major parts. The first is a suggested sampling protocol which is presented in an outline form for guiding baseline studies in this area. The second section is background information on the physical features of the area of study, trace elements of significance occurring in oil shale, and the sample media used in these studies. The third section is concerned primarily with sampling design and its application to the geochemical studies of the oil shale region. The last sections, in the form of appendices, provide actual data and illustrate in a systematic manner, the calculations performed to obtain the various summary data. The last segment of the appendices is a more academic discussion of the geochemistry of trace elements and the parameters of importance influencing their behavior in natural systems.

  18. Structural Analysis for Gold Mineralization Using Remote Sensing and Geochemical Techniques in a GIS Environment: Island of Lesvos, Hellas

    SciTech Connect (OSTI)

    Rokos, D. Argialas, D. Mavrantza, R. St Seymour, K.; Vamvoukakis, C.; Kouli, M.; Lamera, S.; Paraskevas, H.; Karfakis, I.; Denes, G

    2000-12-15

    Exploration for epithermal Au has been active lately in the Aegean Sea of the eastern Mediterranean Basin, both in the islands of the Quaternary arc and in those of the back-arc region. The purpose of this study was the structural mapping and analysis for a preliminary investigation of possible epithermal gold mineralization, using remotely sensed data and techniques, structural and field data, and geochemical information, for a specific area on the Island of Lesvos. Therefore, Landsat-TM and SPOT-Pan satellite images and the Digital Elevation Model (DEM) of the study area were processed digitally using spatial filtering techniques for the enhancement and recognition of the geologically significant lineaments, as well as algebraic operations with band ratios and Principal Component Analysis (PCA), for the identification of alteration zones. Statistical rose diagrams and a SCHMIDT projection Stereo Net were generated from the lineament maps and the collected field data (dip and strike measurements of faults, joints, and veins), respectively. The derived lineament map and the band ratio images were manipulated in a GIS environment, in order to study the relation of the tectonic pattern to both the alteration zoning and the geomorphology of the volcanic field of the study area. Target areas of high interest for possible mineralization also were specified using geochemical techniques, such as X-Ray Diffraction (XRD) analysis, trace-element, and fluid-inclusion analysis. Finally, preliminary conclusions were derived about possible mineralization, the type (high or low sulfidation), and the extent of mineralization, by combining the structural information with geochemical information.

  19. Transportation Anslysis Simulation System

    Energy Science and Technology Software Center (OSTI)

    2004-08-23

    TRANSIMS version 3.1 is an integrated set of analytical and simulation models and supporting databases. The system is designed to create a virtual metropolitan region with representation of each of the region’s individuals, their activities and the transportation infrastructure they use. TRANSIMS puts into practice a new, disaggregate approach to travel demand modeling using agent-based micro-simulation technology. TRANSIMS methodology creates a virtual metropolitan region with representation of the transportation infrastructure and the population, at themore » level of households and individual travelers. Trips a planned to satisfy the population’s activity pattems at the individual traveler level. TRANSIMS then simulates the movement of travelers and vehicles across the transportation network using multiple modes, including car, transit, bike and walk, on a second-by-second basis. Metropolitan planners must plan growth of their cities according to the stringent transportation system planning requirements of the Interniodal Surface Transportation Efficiency Act of 1991, the Clean Air Act Amendments of 1990 and other similar laws and regulations. These require each state and its metropotitan regions to work together to develop short and long term transportation improvement plans. The plans must (1) estimate the future transportation needs for travelers and goods movements, (2) evaluate ways to manage and reduce congestion, (3) examine the effectiveness of building new roads and transit systems, and (4) limit the environmental impact of the various strategies. The needed consistent and accurate transportation improvement plans require an analytical capability that properly accounts for travel demand, human behavior, traffic and transit operations, major investments, and environmental effects. Other existing planning tools use aggregated information and representative behavior to predict average response and average use of transportation facilities. They do not account for individual traveler response to the dynamic transportation environment. In contrast, TRANSIMS provides disaggregated information that more explicitly represents the complex nature of humans interacting with the transportation system. It first generates a synthetic population that represents individuals and their households in the metropolitan region in a statistically valid way. The demographic makeup and spatial distribution of this synthetic population is derived from census data so that it matches that of the region’s real population. From survey data, a model is built of household and individual activities that may occur at home, in the workplace, school or shopping centers, for example. Trip plans including departure times, travel modes, and specific routes are created for each individual to get to his or her daily activities. TRANSIMS then simulates the movement of millions of individuals, following their trip plans throughout the transportation network, including their use of vehicles such as cars or buses, on a second-by-second basis. The virtual travel in TRANSIMS mimics the traveling and driving behavior of real people in the metropolitan region. The interactions of individual vehicles produce realistic traffic dynamics from which analysts can judge to performance of the transportation sysime and estimate vehicle emissions. Los Alamos, in cooperation with the Department of Transportation, Federal HIghway Administration and the local Metropolitan Planning Offices, has done TRANSIMS micro-simulations of auto traffic patterns in these two urban areas and completed associated scenario-based studies.« less

  20. Effect of curing conditions on the geotechnical and geochemical properties of CFBC ashes

    SciTech Connect (OSTI)

    Bland, A.E.

    1999-07-01

    Western Research Institute, in cooperation with the US Department of Energy Federal Energy Technology Center, initiated a multi-year program to examine the relationship between CFBC ash chemistry and geotechnical properties as they relate to ash disposal and utilization. Four CFBC facilities supplied ash from their units for the study representing high-sulfur (4%) and medium-sulfur (1.8%) bituminous coal. Sub-bituminous coal (0.9% sulfur) and petroleum coke (5--6% sulfur) fired ashes were also included in the study. The ashes were composed principally of large quantities of anhydrite (CaSO{sub 4}) and lime (CaO) and minor amounts of calcite (CaCO{sub 3}). The ash curing study addressed the impact of curing conditions (sealed and saturated curing and 23 C and 5 C curing temperature) on the geochemical and geotechnical properties of the ash. The strength development and expansion varied with the type and characteristics of the ashes. The expansion appeared to be inversely related to strength development. As the strength decreased under saturated curing, the expansion increased significantly. The application of 5 C saturated curing resulted in further strength loss and increased expansion. The hydration reaction products appeared to be principally the hydration of lime (CaO) to portlandite (Ca[OH]{sub 2}), the hydration of anhydrite (CaSO{sub 4}) to gypsum (CaSO{sub 4} {center{underscore}dot} 2H{sub 2}O), and the precipitation of ettringite (Ca{sub 6}Al{sub 2}[SO{sub 4}]{sub 3}[OH]{sub 12} {center{underscore}dot} 26H{sub 2}O) from the soluble calcium, sulfates and alumina. No thaumasite was noted in the specimens. The ashes appeared to follow one of several hydration reaction trends: (1) ettringite-only development, (2) ettringite and/or gypsum early followed by later gypsum formation, or (3) gypsum-only formation. Testing confirmed that the hydration reaction chemistry was related to geotechnical properties of the ashes. Strength development and expansion appeared to be related to ettringite and/or gypsum formation. The expansion increased with saturated curing and appeared to be predominantly gypsum based. A pore filling model was found to be consistent with the observed relationships between hydration phases (ettringite and gypsum) and strength development and expansion, as well as SEM observations and void reduction observations.

  1. Permeability, geochemical, and water quality tests in support of an aquifer thermal energy storage site in Minnesota

    SciTech Connect (OSTI)

    Blair, S.C.; Deutsch, W.J.; Mitchell, P.J.

    1985-04-01

    This report describes the Underground Energy Storage Program's efforts to characterize physicochemical processes at DOE's ATES Field Test Facility (FTF) located on the University of Minnesota campus at St. Paul, Minnesota. Experimental efforts include: field tests at the St. Paul FTF to characterize fluid injectability and to evaluate the effectiveness of fluid-conditioning equipment, geochemical studies to investigate chemical reactions resulting from alterations to the aquifer's thermal regime, and laboratory tests on sandstone core from the site. Each experimental area is discussed and results obtained thus far are reported. 23 refs., 39 figs., 12 tabs.

  2. GIS Regional Spatial Data from the Great Basin Center for Geothermal Energy: Geochemical, Geodesic, Geologic, Geophysical, Geothermal, and Groundwater Data

    DOE Data Explorer [Office of Scientific and Technical Information (OSTI)]

    The Great Basin Center for Geothermal Energy, part of the University of Nevada, Reno, conducts research towards the establishment of geothermal energy as an economically viable energy source within the Great Basin. The Center specializes in collecting and synthesizing geologic, geochemical, geodetic, geophysical, and tectonic data, and using Geographic Information System (GIS) technology to view and analyze this data and to produce favorability maps of geothermal potential. The center also makes its collections of spatial data available for direct download to the public. Data are in Lambert Conformable Conic Projection.

  3. Water Transport Within the STack: Water Transport Exploratory Studies |

    Office of Energy Efficiency and Renewable Energy (EERE) Indexed Site

    Department of Energy Within the STack: Water Transport Exploratory Studies Water Transport Within the STack: Water Transport Exploratory Studies Part of a $100 million fuel cell award announced by DOE Secretary Bodman on Oct. 25, 2006. PDF icon 2_lanl.pdf More Documents & Publications Water Transport Exploratory Studies Fuel Cell Kickoff Meeting Agenda

  4. Fuel reactivity effects on the efficiency and operational window of dual-fuel compression ignition engines

    SciTech Connect (OSTI)

    Splitter, Derek A; Reitz, Rolf

    2014-01-01

    Fuel reactivity effects on the efficiency and operational window of dual-fuel compression ignition engines

  5. Environmentally stable reactive alloy powders and method of making same

    DOE Patents [OSTI]

    Anderson, I.E.; Lograsso, B.K.; Terpstra, R.L.

    1998-09-22

    Apparatus and method are disclosed for making powder from a metallic melt by atomizing the melt to form droplets and reacting the droplets downstream of the atomizing location with a reactive gas. The droplets are reacted with the gas at a temperature where a solidified exterior surface is formed thereon and where a protective refractory barrier layer (reaction layer) is formed whose penetration into the droplets is limited by the presence of the solidified surface so as to avoid selective reduction of key reactive alloys needed to achieve desired powder end use properties. The barrier layer protects the reactive powder particles from environmental constituents such as air and water in the liquid or vapor form during subsequent fabrication of the powder to end-use shapes and during use in the intended service environment. 7 figs.

  6. Apparatus for making environmentally stable reactive alloy powders

    DOE Patents [OSTI]

    Anderson, I.E.; Lograsso, B.K.; Terpstra, R.L.

    1996-12-31

    Apparatus and method are disclosed for making powder from a metallic melt by atomizing the melt to form droplets and reacting the droplets downstream of the atomizing location with a reactive gas. The droplets are reacted with the gas at a temperature where a solidified exterior surface is formed thereon and where a protective refractory barrier layer (reaction layer) is formed whose penetration into the droplets is limited by the presence of the solidified surface so as to avoid selective reduction of key reactive alloyants needed to achieve desired powder end use properties. The barrier layer protects the reactive powder particles from environmental constituents such as air and water in the liquid or vapor form during subsequent fabrication of the powder to end-use shapes and during use in the intended service environment. 7 figs.

  7. Method and apparatus for measuring reactivity of fissile material

    DOE Patents [OSTI]

    Lee, D.M.; Lindquist, L.O.

    1982-09-07

    Given are a method and apparatus for measuring nondestructively and noninvasively (i.e., using no internal probing) the burnup, reactivity, or fissile content of any material which emits neutrons and which has fissionable components. The assay is accomplished by altering the return flux of neutrons into the fuel assembly by means of changing the reflecting material. The existing passive neutron emissions in the material being assayed are used as the source of interrogating neutrons. Two measurements of either emitted neutron or emitted gamma-ray count rates are made and are then correlated to either reactivity, burnup, or fissionable content of the material being assayed, thus providing a measurement of either reactivity, burnup, or fissionable content of the material being assayed. Spent fuel which has been freshly discharged from a reactor can be assayed using this method and apparatus. Precisions of 1000 MWd/tU appear to be feasible.

  8. Apparatus for making environmentally stable reactive alloy powders

    DOE Patents [OSTI]

    Anderson, Iver E. (Ames, IA); Lograsso, Barbara K. (Ames, IA); Terpstra, Robert L. (Ames, IA)

    1996-12-31

    Apparatus and method for making powder from a metallic melt by atomizing the melt to form droplets and reacting the droplets downstream of the atomizing location with a reactive gas. The droplets are reacted with the gas at a temperature where a solidified exterior surface is formed thereon and where a protective refractory barrier layer (reaction layer) is formed whose penetration into the droplets is limited by the presence of the solidified surface so as to avoid selective reduction of key reactive alloyants needed to achieve desired powder end use properties. The barrier layer protects the reactive powder particles from environmental constituents such as air and water in the liquid or vapor form during subsequent fabrication of the powder to end-use shapes and during use in the intended service environment.

  9. Environmentally stable reactive alloy powders and method of making same

    DOE Patents [OSTI]

    Anderson, Iver E. (Ames, IA); Lograsso, Barbara K. (Ames, IA); Terpstra, Robert L. (Ames, IA)

    1998-09-22

    Apparatus and method for making powder from a metallic melt by atomizing the melt to form droplets and reacting the droplets downstream of the atomizing location with a reactive gas. The droplets are reacted with the gas at a temperature where a solidified exterior surface is formed thereon and where a protective refractory barrier layer (reaction layer) is formed whose penetration into the droplets is limited by the presence of the solidified surface so as to avoid selective reduction of key reactive alloyants needed to achieve desired powder end use properties. The barrier layer protects the reactive powder particles from environmental constituents such as air and water in the liquid or vapor form during subsequent fabrication of the powder to end-use shapes and during use in the intended service environment.

  10. Picture of the Week: Making the (reactive) case for explosives science

    Broader source: All U.S. Department of Energy (DOE) Office Webpages (Extended Search)

    28 Making the (reactive) case for explosives science A "reactive case" is a new concept in explosives science currently being tested at Los Alamos National Laboratory. A reactive case would do more than just contain an explosive, but rather become part of the explosive event itself, actually enhancing or boosting the explosion while decreasing far-field fragmentation damage. October 16, 2015 explosion Making the (reactive) case for explosives science Making the (reactive) case for

  11. Rail Coal Transportation Rates

    Gasoline and Diesel Fuel Update (EIA)

    reports Coal Transportation Rates to the Electric Power Sector With Data through 2014 | Release Date: February 23, 2016 | Next Release Date: January 2017 | Previous Data Years Year: 2013 2011 2010 2008 2002 Go Background and Methodology The data in the tables are based on primary data collected by EIA from plant owners and operators on the Form EIA-923, "Power Plant Operations Report" (EIA-923 Data) and supplement data and analysis of coal transportation costs released by EIA in June

  12. National Transportation Stakeholders Forum

    Office of Environmental Management (EM)

    Registration is OPEN! National Transportation Stakeholders Forum 2015 Annual Meeting May 12-14, 2015 Embassy Suites Albuquerque, New Mexico Online registration is now open for the 2015 Annual Meeting of the National Transportation Stakeholders' Forum (NTSF), to be held in Albuquerque, New Mexico. The meeting will begin at 8:00am on Tuesday, May 12th, and will conclude by 10:00am on Thursday, May 14th. To view a preliminary draft agenda, please visit the NTSF meeting website. DOE will be hosting

  13. Application of geochemical techniques to deduce the reservoir performance of the Palinpinon Geothermal Field, Philippines - an update

    SciTech Connect (OSTI)

    Ramos-Candelaria, M.N.; Garcia, S.E.; Hermoso, D.Z.

    1997-12-31

    Regular monitoring of various geochemical parameters in the water and vapor phases of the production wells at the Palinpinon I and II sectors of the Southern Negros Geothermal Field have been useful in the identification of the dominant reservoir processes occurring related to the present exploitation strategy. Observed geochemical and physical changes in the output of production wells have dictated production and injection strategies adopted to maximize production to meet the steam requirements of the power plant. Correlation of both physical and chemical data have identified the following reservoir processes: (1) Injection breakthrough via the Ticala Fault of the highly mineralized (Cl {approximately}8,000-10,500 mg/kg), isotopically enriched ({delta}{sup 18}O = -3.00{per_thousand}, {delta}{sup 2} H = -39{per_thousand}), and gas depleted brine for wells in the SW and central Puhagan. Injection breakthrough is also occurring in Palinpinon II and has resulted in temperature drops of 5-10{degrees}C.2. Pressure drawdown enhanced boiling in the liquid reservoir with steam separation of 220-240{degrees}C, feeding wells tapping the natural steam zone. However, enhanced drawdown has induced the entry of shallow acid steam condensate fluids in some wells (e.g. OK-7, PN-29D, PN-18D), which if not arrested could reduce production.

  14. GaMin’11 – an international inter-laboratory comparison for geochemical CO₂ - saline fluid - mineral interaction experiments

    DOE Public Access Gateway for Energy & Science Beta (PAGES Beta)

    Ostertag-Henning, C.; Risse, A.; Thomas, B.; Rosenbauer, R.; Rochelle, C.; Purser, G.; Kilpatrick, A.; Rosenqvist, J.; Yardley, B.; Karamalidis, A.; et al

    2014-12-31

    Due to the strong interest in geochemical CO₂-fluid-rock interaction in the context of geological storage of CO₂ a growing number of research groups have used a variety of different experimental ways to identify important geochemical dissolution or precipitation reactions and – if possible – quantify the rates and extent of mineral or rock alteration. In this inter-laboratory comparison the gas-fluid-mineral reactions of three samples of rock-forming minerals have been investigated by 11 experimental labs. The reported results point to robust identification of the major processes in the experiments by most groups. The dissolution rates derived from the changes in compositionmore » of the aqueous phase are consistent overall, but the variation could be reduced by using similar corrections for changing parameters in the reaction cells over time. The comparison of experimental setups and procedures as well as of data corrections identified potential improvements for future gas-fluid-rock studies.« less

  15. Numerical Modeling of 90Sr and 137Cs Transport from a Spill in the B-Cell of the 324 Building, Hanford Site 300 Area

    SciTech Connect (OSTI)

    Rockhold, Mark L.; Bacon, Diana H.; Freedman, Vicky L.; Lindberg, Michael J.; Clayton, Ray E.

    2012-03-19

    To characterize the extent of contamination under the 324 Building, a pit was excavated on the north side of the building in 2010 by Washington Closure Hanford LLC (WCH). Horizontal closed-end steel access pipes were installed under the foundation of the building from this pit and were used for measuring temperatures and exposure rates under the B-Cell. The deployed sensors measured elevated temperatures of up to 61 C (142 F) and exposure rates of up to 8,900 R/hr. WCH suspended deactivation of the facility because it recognized that building safety systems and additional characterization data might be needed for remediation of the contaminated material. The characterization work included additional field sampling, laboratory measurements, and numerical flow and transport modeling. Laboratory measurements of sediment physical, hydraulic, and geochemical properties were performed by Pacific Northwest National Laboratory (PNNL) and others. Geochemical modeling and subsurface flow and transport modeling also were performed by PNNL to evaluate the possible extent of contamination in the unsaturated sand and gravel sediments underlying the building. Historical records suggest that the concentrated 137Cs- and 90Sr-bearing liquid wastes that were spilled in B-Cell were likely from a glass-waste repository testing program associated with the Federal Republic of Germany (FRG). Incomplete estimates of the aqueous chemical composition (no anion data provided) of the FRG waste solutions were entered into a geochemical speciation model and were charge balanced with nitrate to estimate waste composition. Additional geochemical modeling was performed to evaluate reactions of the waste stream with the concrete foundation of the building prior to the stream entering the subsurface.

  16. Plasma & reactive ion etching to prepare ohmic contacts

    DOE Patents [OSTI]

    Gessert, Timothy A. (Conifer, CO)

    2002-01-01

    A method of making a low-resistance electrical contact between a metal and a layer of p-type CdTe surface by plasma etching and reactive ion etching comprising: a) placing a CdS/CdTe layer into a chamber and evacuating said chamber; b) backfilling the chamber with Argon or a reactive gas to a pressure sufficient for plasma ignition; and c) generating plasma ignition by energizing a cathode which is connected to a power supply to enable the plasma to interact argon ions alone or in the presence of a radio-frequency DC self-bias voltage with the p-CdTe surface.

  17. Enhanced durability and reactivity for zinc ferrite desulfurization sorbent

    SciTech Connect (OSTI)

    Jha, M.C.; Berggren, M.H.

    1989-05-02

    AMAX Research Development Center (AMAX R D) has been investigating methods for enhancing the reactivity and durability of the zinc ferrite desulfurization sorbent. Zinc ferrite sorbents are intended for use in desulfurization of hot coal gas in integrated gasification combined cycle (IGCC) or molten carbonate fuel cell (MCFC) applications. For the present program, the reactivity of the sorbent may be defined as its sulfur sorption capacity at the breakthrough point and at saturation in a bench-scale, fixed-bed reactor. Durability may be defined as the ability of the sorbent to maintain important physical characteristics such As size, strength, and specific surface area during 10 cycles of sulfidation and oxidation.

  18. Enhanced durability and reactivity for zinc ferrite desulfurization sorbent

    SciTech Connect (OSTI)

    Jha, M.C.; Berggren, M.H.

    1988-11-14

    AMAX Research Development Center (AMAX R D) has been investigating methods for enhancing the reactivity and durability of the zinc ferrite desulfurization sorbent. Zinc ferrite sorbents are intended for use in desulfurization of hot coal gas in integrated gasification combined cycle (IGCC) or molten carbonate fuel cell (MCFC) applications. For the present program, the reactivity of the sorbent may be defined as its sulfur sorption capacity at the breakthrough point and at saturation in a bench-scale, fixed-bed reactor. Durability may be defined as the ability of the sorbent to maintain important physical characteristics such As size, strength, and specific surface area during 10 cycles of sulfidation and oxidation.

  19. Enhanced durability and reactivity for zinc ferrite desulfurization sorbent

    SciTech Connect (OSTI)

    Jha, M.C.; Berggren, M.H.

    1989-03-06

    AMAX Research Development Center (AMAX R D) has been investigating methods for enhancing the reactivity and durability of the zinc ferrite desulfurization sorbent. Zinc ferrite sorbents are intended for use in desulfurization of hot coal gas in integrated gasification combined cycle (IGCC) or molten carbonate fuel cell (MCFC) applications. For the present program, the reactivity of the sorbent may be defined as its sulfur sorption capacity at the breakthrough point and at saturation in a bench-scale, fixed-bed reactor. Durability may be defined as the ability of the sorbent to maintain important physical characteristics such As size, strength, and specific surface area during 10 cycles of sulfidation and oxidation.

  20. Enhanced durability and reactivity for zinc ferrite desulfurization sorbent

    SciTech Connect (OSTI)

    Jha, M.C.; Berggren, M.H.

    1988-08-19

    AMAX Research Development Center (AMAX R D) has been investigating methods for enhancing the reactivity and durability of the zinc ferrite desulfurization sorbent. Zinc ferrite sorbents are intended for use in desulfurization of hot coal gas in integrated gasification combined cycle (IGCC) or molten carbonate fuel cell (MCFC) applications. For the present program, the reactivity of the sorbent may be defined as its sulfur sorption capacity at the breakthrough point and at saturation in a bench-scale, fixed-bed reactor. Durability may be defined as the ability of the sorbent to maintain important physical characteristics such As size, strength, and specific surface area during 10 cycles of sulfidation and oxidation.

  1. Enhanced durability and reactivity for zinc ferrite desulfurization sorbent

    SciTech Connect (OSTI)

    Jha, M.C.; Baltich, L.K.; Berggren, M.H.

    1987-05-18

    AMAX Research Development Center (AMAX R D) has been investigating methods for enhancing the reactivity and durability of the zinc ferrite desulfurization sorbent. Zinc ferrite sorbents are intended for use in desulfurization of hot coal gas in integrated gasification combined cycle (IGCC) or molten carbonate fuel cell (MCFC) applications. For the present program, the reactivity of the sorbent may be defined as its sulfur sorption capacity at the breakthrough point and at saturation in a bench-scale, fixed-bed reactor. Durability may be defined as the ability of the sorbent to maintain important physical characteristics such As size, strength, and specific surface area during 10 cycles of sulfidation and oxidation.

  2. Enhanced durability and reactivity for zinc ferrite desulfurization sorbent

    SciTech Connect (OSTI)

    Jha, M.C.; Baltich, L.K.; Berggren, M.H.

    1987-08-28

    AMAX Research Development Center (AMAX R D) has been investigating methods for enhancing the reactivity and durability of the zinc ferrite desulfurization sorbent. Zinc ferrite sorbents are intended for use in desulfurization of hot coal gas in integrated gasification combined cycle (IGCC) or molten carbonate fuel cell (MCFC) applications. For the present program, the reactivity of the sorbent may be defined as its sulfur sorption capacity at the breakthrough point and at saturation in a bench-scale, fixed-bed reactor. Durability may be defined as the ability of the sorbent to maintain important physical characteristics such As size, strength, and specific surface area during 10 cycles of sulfidation and oxidation.

  3. Increasing Class C fly ash reduces alkali silica reactivity

    SciTech Connect (OSTI)

    Hicks, J.K.

    2007-07-01

    Contrary to earlier studies, it has been found that incremental additions of Class C fly ash do reduce alkali silica reactivity (ASR), in highly reactive, high alkali concrete mixes. AST can be further reduced by substituting 5% metakaolin or silica fume for the aggregate in concrete mixes with high (more than 30%) Class C fly ash substitution. The paper reports results of studies using Class C fly ash from the Labadie Station plant in Missouri which typically has between 1.3 and 1.45% available alkalis by ASTM C311. 7 figs.

  4. The Reactivity of Energetic Materials Under High Pressure and Temperature

    Office of Scientific and Technical Information (OSTI)

    (Journal Article) | SciTech Connect The Reactivity of Energetic Materials Under High Pressure and Temperature Citation Details In-Document Search Title: The Reactivity of Energetic Materials Under High Pressure and Temperature Authors: Manaa, M R ; Fried, L E Publication Date: 2013-09-17 OSTI Identifier: 1209648 Report Number(s): LLNL-JRNL-643808 DOE Contract Number: DE-AC52-07NA27344 Resource Type: Journal Article Resource Relation: Journal Name: Advances in Quantum Chemistry, vol. 69, no.

  5. Approximate photochemical dynamics of azobenzene with reactive force fields

    SciTech Connect (OSTI)

    Li, Yan; Hartke, Bernd

    2013-12-14

    We have fitted reactive force fields of the ReaxFF type to the ground and first excited electronic states of azobenzene, using global parameter optimization by genetic algorithms. Upon coupling with a simple energy-gap transition probability model, this setup allows for completely force-field-based simulations of photochemical cis?trans- and trans?cis-isomerizations of azobenzene, with qualitatively acceptable quantum yields. This paves the way towards large-scale dynamics simulations of molecular machines, including bond breaking and formation (via the reactive force field) as well as photochemical engines (presented in this work)

  6. Mass Transport within Soils

    SciTech Connect (OSTI)

    McKone, Thomas E.

    2009-03-01

    Contaminants in soil can impact human health and the environment through a complex web of interactions. Soils exist where the atmosphere, hydrosphere, geosphere, and biosphere converge. Soil is the thin outer zone of the earth's crust that supports rooted plants and is the product of climate and living organisms acting on rock. A true soil is a mixture of air, water, mineral, and organic components. The relative proportions of these components determine the value of the soil for agricultural and for other human uses. These proportions also determine, to a large extent, how a substance added to soil is transported and/or transformed within the soil (Spositio, 2004). In mass-balance models, soil compartments play a major role, functioning both as reservoirs and as the principal media for transport among air, vegetation, surface water, deeper soil, and ground water (Mackay, 2001). Quantifying the mass transport of chemicals within soil and between soil and atmosphere is important for understanding the role soil plays in controlling fate, transport, and exposure to multimedia pollutants. Soils are characteristically heterogeneous. A trench dug into soil typically reveals several horizontal layers having different colors and textures. As illustrated in Figure 1, these multiple layers are often divided into three major horizons: (1) the A horizon, which encompasses the root zone and contains a high concentration of organic matter; (2) the B horizon, which is unsaturated, lies below the roots of most plants, and contains a much lower organic carbon content; and (3) the C horizon, which is the unsaturated zone of weathered parent rock consisting of bedrock, alluvial material, glacial material, and/or soil of an earlier geological period. Below these three horizons lies the saturated zone - a zone that encompasses the area below ground surface in which all interconnected openings within the geologic media are completely filled with water. Similarly to the unsaturated zone with three major horizons, the saturated zone can be further divided into other zones based on hydraulic and geologic conditions. Wetland soils are a special and important class in which near-saturation conditions exist most of the time. When a contaminant is added to or formed in a soil column, there are several mechanisms by which it can be dispersed, transported out of the soil column to other parts of the environment, destroyed, or transformed into some other species. Thus, to evaluate or manage any contaminant introduced to the soil column, one must determine whether and how that substance will (1) remain or accumulate within the soil column, (2) be transported by dispersion or advection within the soil column, (3) be physically, chemically, or biologically transformed within the soil (i.e., by hydrolysis, oxidation, etc.), or (4) be transported out of the soil column to another part of the environment through a cross-media transfer (i.e., volatilization, runoff, ground water infiltration, etc.). These competing processes impact the fate of physical, chemical, or biological contaminants found in soils. In order to capture these mechanisms in mass transfer models, we must develop mass-transfer coefficients (MTCs) specific to soil layers. That is the goal of this chapter. The reader is referred to other chapters in this Handbook that address related transport processes, namely Chapter 13 on bioturbation, Chapter 15 on transport in near-surface geological formations, and Chapter 17 on soil resuspention. This chapter addresses the following issues: the nature of soil pollution, composition of soil, transport processes and transport parameters in soil, transformation processes in soil, mass-balance models, and MTCs in soils. We show that to address vertical heterogeneity in soils in is necessary to define a characteristic scaling depth and use this to establish process-based expressions for soil MTCs. The scaling depth in soil and the corresponding MTCs depend strongly on (1) the composition of the soil and physical state of the soil, (2) the chemical and physic

  7. EPAct Transportation Regulatory Activities

    SciTech Connect (OSTI)

    2011-11-21

    The U.S. Department of Energy's (DOE) Vehicle Technologies Program manages several transportation regulatory activities established by the Energy Policy Act of 1992 (EPAct), as amended by the Energy Conservation Reauthorization Act of 1998, EPAct 2005, and the Energy Independence and Security Act of 2007 (EISA).

  8. NREL: Transportation Research - Webmaster

    Broader source: All U.S. Department of Energy (DOE) Office Webpages (Extended Search)

    Webmaster Please enter your name and email address in the boxes provided, then type your message below. When you are finished, click "Send Message." NOTE: If you enter your e-mail address incorrectly, we will be unable to reply. Your name: Your email address: Your message: Send Message Printable Version Transportation Research Home Capabilities Projects

  9. Artificial oxygen transport protein

    DOE Patents [OSTI]

    Dutton, P. Leslie

    2014-09-30

    This invention provides heme-containing peptides capable of binding molecular oxygen at room temperature. These compounds may be useful in the absorption of molecular oxygen from molecular oxygen-containing atmospheres. Also included in the invention are methods for treating an oxygen transport deficiency in a mammal.

  10. Storing and transporting energy

    DOE Patents [OSTI]

    McClaine, Andrew W.; Brown, Kenneth

    2010-09-07

    Among other things, hydrogen is released from water at a first location using energy from a first energy source; the released hydrogen is stored in a metal hydride slurry; and the metal hydride slurry is transported to a second location remote from the first location.

  11. Neutron economic reactivity control system for light water reactors

    DOE Patents [OSTI]

    Luce, Robert G.; McCoy, Daniel F.; Merriman, Floyd C.; Gregurech, Steve

    1989-01-01

    A neutron reactivity control system for a LWBR incorporating a stationary seed-blanket core arrangement. The core arrangement includes a plurality of contiguous hexagonal shaped regions. Each region has a central and a peripheral blanket area juxapositioned an annular seed area. The blanket areas contain thoria fuel rods while the annular seed area includes seed fuel rods and movable thoria shim control rods.

  12. Method and apparatus for measuring reactivity of fissile material

    DOE Patents [OSTI]

    Lee, David M. (Los Alamos, NM); Lindquist, Lloyd O. (Santa Fe, NM)

    1985-01-01

    Given are a method and apparatus for measuring nondestructively and non-invasively (i.e., using no internal probing) the burnup, reactivity, or fissile content of any material which emits neutrons and which has fissionable components. No external neutron-emitting interrogation source or fissile material is used and no scanning is required, although if a profile is desired scanning can be used. As in active assays, here both reactivity and content of fissionable material can be measured. The assay is accomplished by altering the return flux of neutrons into the fuel assembly. The return flux is altered by changing the reflecting material. The existing passive neutron emissions in the material being assayed are used as the source of interrogating neutrons. Two measurements of either emitted neutron or emitted gamma-ray count rates are made and are then correlated to either reactivity, burnup, or fissionable content of the material being assayed, thus providing a measurement of either reactivity, burnup, or fissionable content of the material being assayed. Spent fuel which has been freshly discharged from a reactor can be assayed using this method and apparatus. Precisions of 1000 MWd/tU appear to be feasible.

  13. Highly reactive light-dependent monoterpenes in the Amazon

    DOE Public Access Gateway for Energy & Science Beta (PAGES Beta)

    Jardine, A. B.; Jardine, K. J.; Fuentes, J. D.; Martin, S. T.; Martins, G.; Durgante, F.; Carneiro, V.; Higuchi, N.; Manzi, A. O.; Chambers, J. Q.

    2015-03-06

    Despite orders of magnitude difference in atmospheric reactivity and great diversity in biological functioning, little is known about monoterpene speciation in tropical forests. Here we report vertically resolved ambient air mixing ratios for 12 monoterpenes in a central Amazon rainforest including observations of the highly reactive cis-β-ocimene (160 ppt), trans-β-ocimene (79 ppt), and terpinolene (32 ppt) which accounted for an estimated 21% of total monoterpene composition yet 55% of the upper canopy monoterpene ozonolysis rate. All 12 monoterpenes showed a mixing ratio peak in the upper canopy, with three demonstrating subcanopy peaks in 7 of 11 profiles. Leaf level emissionsmore » of highly reactive monoterpenes accounted for up to 1.9% of photosynthesis confirming light-dependent emissions across several Amazon tree genera. These results suggest that highly reactive monoterpenes play important antioxidant roles during photosynthesis in plants and serve as near-canopy sources of secondary organic aerosol precursors through atmospheric photooxidation via ozonolysis.« less

  14. Local control of reactive power by distributed photovoltaic generators

    SciTech Connect (OSTI)

    Chertkov, Michael; Turitsyn, Konstantin; Sulc, Petr; Backhaus, Scott

    2010-01-01

    High penetration levels of distributed photovoltaic (PV) generation on an electrical distribution circuit may severely degrade power quality due to voltage sags and swells caused by rapidly varying PV generation during cloud transients coupled with the slow response of existing utility compensation and regulation equipment. Although not permitted under current standards for interconnection of distributed generation, fast-reacting, VAR-capable PV inverters may provide the necessary reactive power injection or consumption to maintain voltage regulation under difficult transient conditions. As side benefit, the control of reactive power injection at each PV inverter provides an opportunity and a new tool for distribution utilities to optimize the performance of distribution circuits, e.g. by minimizing thermal losses. We suggest a local control scheme that dispatches reactive power from each PV inverter based on local instantaneous measurements of the real and reactive components of the consumed power and the real power generated by the PVs. Using one adjustable parameter per circuit, we balance the requirements on power quality and desire to minimize thermal losses. Numerical analysis of two exemplary systems, with comparable total PV generation albeit a different spatial distribution, show how to adjust the optimization parameter depending on the goal. Overall, this local scheme shows excellent performance; it's capable of guaranteeing acceptable power quality and achieving significant saving in thermal losses in various situations even when the renewable generation in excess of the circuit own load, i.e. feeding power back to the higher-level system.

  15. Enhanced durability and reactivity for zinc ferrite desulfurization sorbent

    SciTech Connect (OSTI)

    Berggren, M.H.; Jha, M.C.

    1989-10-01

    AMAX Research Development Center (AMAX R D) investigated methods for enhancing the reactivity and durability of zinc ferrite desulfurization sorbents. Zinc ferrite sorbents are intended for use in desulfurization of hot coal gas in integrated gasification combined cycle (IGCC) or molten carbonate fuel cell (MCFC) applications. For this program, the reactivity of the sorbent may be defined as its sulfur sorption capacity at the breakthrough point and at saturation in a bench-scale, fixed-bed reactor. Durability may be defined as the ability of the sorbent to maintain important physical characteristics such as size, strength, and specific surface area during 10 cycles of sulfidation and oxidation. Two base case sorbents, a spherical pellet and a cylindrical extrude used in related METC-sponsored projects, were used to provide a basis for the aimed enhancement in durability and reactivity. Sorbent performance was judged on the basis of physical properties, single particle kinetic studies based on thermogravimetric (TGA) techniques, and multicycle bench-scale testing of sorbents. A sorbent grading system was utilized to quantify the characteristics of the new sorbents prepared during the program. Significant enhancements in both reactivity and durability were achieved for the spherical pellet shape over the base case formulation. Overall improvements to reactivity and durability were also made to the cylindrical extrude shape. The primary variables which were investigated during the program included iron oxide type, zinc oxide:iron oxide ratio, inorganic binder concentration, organic binder concentration, and induration conditions. The effects of some variables were small or inconclusive. Based on TGA studies and bench-scale tests, induration conditions were found to be very significant.

  16. Reactive multilayers fabricated by vapor deposition. A critical review

    DOE Public Access Gateway for Energy & Science Beta (PAGES Beta)

    Adams, D. P.

    2014-10-02

    The reactive multilayer thin films are a class of energetic materials that continue to attract attention for use in joining applications and as igniters. Generally composed of two reactants, these heterogeneous solids can be stimulated by an external source to promptly release stored chemical energy in a sudden emission of light and heat. In our critical review article, results from recent investigations of these materials are discussed. Discussion begins with a brief description of the vapor deposition techniques that provide accurate control of layer thickness and film composition. More than 50 reactive film compositions have been reported to date, withmore » most multilayers fabricated by magnetron sputter deposition or electron-beam evaporation. In later sections, we review how multilayer ignition threshold, reaction rate, and total heat are tailored via thin film design. For example, planar multilayers with nanometer-scale periodicity exhibit rapid, self-sustained reactions with wavefront velocities up to 100 m/s. Numeric and analytical models have elucidated many of the fundamental processes that underlie propagating exothermic reactions while demonstrating how reaction rates vary with multilayer design. Recent, time-resolved diffraction and imaging studies have further revealed the phase transformations and the wavefront dynamics associated with propagating chemical reactions. Many reactive multilayers (e.g., Co/Al) form product phases that are consistent with published equilibrium phase diagrams, yet a few systems, such as Pt/Al, develop metastable products. The final section highlights current and emerging applications of reactive multilayers. Examples include reactive Ni(V)/Al and Pd/Al multilayers which have been developed for localized soldering of heat-sensitive components.« less

  17. Reactive multilayers fabricated by vapor deposition. A critical review

    SciTech Connect (OSTI)

    Adams, D. P.

    2014-10-02

    The reactive multilayer thin films are a class of energetic materials that continue to attract attention for use in joining applications and as igniters. Generally composed of two reactants, these heterogeneous solids can be stimulated by an external source to promptly release stored chemical energy in a sudden emission of light and heat. In our critical review article, results from recent investigations of these materials are discussed. Discussion begins with a brief description of the vapor deposition techniques that provide accurate control of layer thickness and film composition. More than 50 reactive film compositions have been reported to date, with most multilayers fabricated by magnetron sputter deposition or electron-beam evaporation. In later sections, we review how multilayer ignition threshold, reaction rate, and total heat are tailored via thin film design. For example, planar multilayers with nanometer-scale periodicity exhibit rapid, self-sustained reactions with wavefront velocities up to 100 m/s. Numeric and analytical models have elucidated many of the fundamental processes that underlie propagating exothermic reactions while demonstrating how reaction rates vary with multilayer design. Recent, time-resolved diffraction and imaging studies have further revealed the phase transformations and the wavefront dynamics associated with propagating chemical reactions. Many reactive multilayers (e.g., Co/Al) form product phases that are consistent with published equilibrium phase diagrams, yet a few systems, such as Pt/Al, develop metastable products. The final section highlights current and emerging applications of reactive multilayers. Examples include reactive Ni(V)/Al and Pd/Al multilayers which have been developed for localized soldering of heat-sensitive components.

  18. The correlation between reactivity and ash mineralogy of coke

    SciTech Connect (OSTI)

    Kerkkonen, O.; Mattila, E.; Heiniemi, R.

    1996-12-31

    Rautaruukki is a modern integrated Finnish steel works having a production of 2.4 mil. t/year of flat products. The total fuel consumption of the two blast furnaces in 1994 was 435 kg/t HM. Coke used was 345 kg/t HM and oil injection was 90 kg/t HM. The coking plant was taken in to operation in 1987 and is the only one in Finland, which means that the coking tradition is very short. Coke production is 0.9 mil. t/year. The coking blends include 70--80% medium volatile coals having a wide range of total dilatation. From time to time disturbances in the operation of the blast furnaces have occurred in spite of the fact that the reactivity of the coke used has remained constant or even decreased. It was thought necessary to investigate the factors affecting coke reactivity, in order to better understand the results of the reactivity test. This paper deals with carbonization tests done in a 7 kg test oven using nine individual coals having volatile-matter contents of 17--36% (dry) and seven blends made from these coals. Coke reactivity with CO{sub 2} at 1100 C (CRI) and coke strength after reaction (CSR) were determined using the test developed by the Nippon Steel Corporation. The influence of coke carbon form, porosity and especially ash mineralogy on the coke reactivity were examined. The effects of some additives; petroleum coke (pet coke), the spillage material from the coke ovens and oxidized coal, on coke quality were also studied. Typical inorganic minerals found in coals were added to one of the high volatile coals, which was then coked to determine the affect of the minerals on the properties of the coke produced.

  19. FAA Smoke Transport Code

    Energy Science and Technology Software Center (OSTI)

    2006-10-27

    FAA Smoke Transport Code, a physics-based Computational Fluid Dynamics tool, which couples heat, mass, and momentum transfer, has been developed to provide information on smoke transport in cargo compartments with various geometries and flight conditions. The software package contains a graphical user interface for specification of geometry and boundary conditions, analysis module for solving the governing equations, and a post-processing tool. The current code was produced by making substantial improvements and additions to a codemore » obtained from a university. The original code was able to compute steady, uniform, isothermal turbulent pressurization. In addition, a preprocessor and postprocessor were added to arrive at the current software package.« less

  20. Fuel cell water transport

    DOE Patents [OSTI]

    Vanderborgh, Nicholas E. (Los Alamos, NM); Hedstrom, James C. (Los Alamos, NM)

    1990-01-01

    The moisture content and temperature of hydrogen and oxygen gases is regulated throughout traverse of the gases in a fuel cell incorporating a solid polymer membrane. At least one of the gases traverses a first flow field adjacent the solid polymer membrane, where chemical reactions occur to generate an electrical current. A second flow field is located sequential with the first flow field and incorporates a membrane for effective water transport. A control fluid is then circulated adjacent the second membrane on the face opposite the fuel cell gas wherein moisture is either transported from the control fluid to humidify a fuel gas, e.g., hydrogen, or to the control fluid to prevent excess water buildup in the oxidizer gas, e.g., oxygen. Evaporation of water into the control gas and the control gas temperature act to control the fuel cell gas temperatures throughout the traverse of the fuel cell by the gases.

  1. Transportation | Argonne National Laboratory

    Broader source: All U.S. Department of Energy (DOE) Office Webpages (Extended Search)

    Transportation Map of Argonne Site Showing CNM Location A shuttle bus operates between Argonne and the University of Chicago's Hyde Park campus. Northwestern University offers a car pool program to Argonne. From early spring until early fall, Argonne offers a bike-share program that facility users are welcome to join. Before using the bikes, you must take a online bike safety course and sign a liability waiver. On completion of the training and waiver, you will receive an Argonne-issued bike

  2. National Transportation Stakeholders Forum

    Office of Environmental Management (EM)

    TRANSPORTATION STAKEHOLDERS FORUM Activities and Accomplishments May 16, 2013 Buffalo, New York NTSF RESOURCES  Wiki Site  Private domain / Registration required  Repository of information  Users are allowed editing capabilities  Webinars  Cover a variety of topics (NRC Rulemaking, Section 180(c), BRC Recommendations, Strategy for Management and Disposal of UNF and HLRW, etc.)  Recording are available on the wiki site  Input is needed for future content NTSF Working

  3. Transportation of medical isotopes

    SciTech Connect (OSTI)

    Nielsen, D.L.

    1997-11-19

    A Draft Technical Information Document (HNF-1855) is being prepared to evaluate proposed interim tritium and medical isotope production at the Fast Flux Test Facility (FFTF). This assessment examines the potential health and safety impacts of transportation operations associated with the production of medical isotopes. Incident-free and accidental impacts are assessed using bounding source terms for the shipment of nonradiological target materials to the Hanford Site, the shipment of irradiated targets from the FFTF to the 325 Building, and the shipment of medical isotope products from the 325 Building to medical distributors. The health and safety consequences to workers and the public from the incident-free transportation of targets and isotope products would be within acceptable levels. For transportation accidents, risks to works and the public also would be within acceptable levels. This assessment is based on best information available at this time. As the medical isotope program matures, this analysis will be revised, if necessary, to support development of a final revision to the Technical Information Document.

  4. the-transportation-research-board

    Broader source: All U.S. Department of Energy (DOE) Office Webpages (Extended Search)

    January 22-26, 2012 The Transportation Research Board (TRB) 91st Annual Meeting will be held in Washington, D.C. at the Washington Marriott Wardman Park, Omni Shoreham, and Washington Hilton hotels. The information-packed program will attract more than 11,000 transportation professionals from around the world to Washington, D.C., January 22-26, 2012. The Transportation Research and Analysis Computing Center (TRACC) team will showcase current projects at the upcoming Transportation Research Board

  5. transportation | National Nuclear Security Administration

    National Nuclear Security Administration (NNSA)

    transportation | National Nuclear Security Administration Facebook Twitter Youtube Flickr RSS People Mission Managing the Stockpile Preventing Proliferation Powering the Nuclear...

  6. Geothermal prospecting by geochemical methods on natural gas and water discharges in the Vulsini Mts Volcanic District (Central Italy)

    SciTech Connect (OSTI)

    Duchi, V.; Minissale, A.A.; Ortino, S.; Romani, L.

    1987-01-01

    The Latera and Torre Alfina geothermal fields were discovered in the Vulsini Mts district (central Italy) in the 70s. The fluid produced by the two geothermal systems is a high rhoCO/sub 2/(around 7 MPa) sodium chloride solution (T.D.S. is 9200 ppm at Latera and 7800 at Torre Alfina), with high SiO/sub 2/ and H/sub 3/BO/sub 3/ contents. The fluid temperature taken at well bottom is about 155/sup 0/C at Torre Alfina, whereas at Latera it ranges from 200 to over 350/sup 0/C. In spite of these temperatures, recorded in producing wells, previous geochemical prospectings using geothermometers in natural thermal manifestations had predicted temperatures no higher than 140/sup 0/C in all the Vulsini district. This contrasting feature between real temperatures and those evaluated during prospecting is caused by the fast circulation of large amounts of meteoric waters in the aquifer located in the shallow parts of the carbonate reservoir formations, and by the short interaction between the latter and the deep geothermal fluids. In the present study a new geochemical survey on thermal and cold springs, stream samples, as well as natural gas emissions has been carried out. A critical review of the main geothermometers, some considerations about the hydraulic behavior of the reservoir formations, and the cross comparison between NH/sub 4//sup +//B ratio, rhoCO/sub 2/ and SiO/sub 2/ content in both cold and thermal waters, have led to the conclusion that in the Vulsini Mts there are no shallow anomalous areas apart from those already discovered at Latera and Torre Alfina. The present method could be successfully applied in other geothermal systems, where the potential reservoir is represented by carbonate formations.

  7. ADVANCED CUTTINGS TRANSPORT STUDY

    SciTech Connect (OSTI)

    Stefan Miska; Troy Reed; Ergun Kuru

    2004-09-30

    The Advanced Cuttings Transport Study (ACTS) was a 5-year JIP project undertaken at the University of Tulsa (TU). The project was sponsored by the U.S. Department of Energy (DOE) and JIP member companies. The objectives of the project were: (1) to develop and construct a new research facility that would allow three-phase (gas, liquid and cuttings) flow experiments under ambient and EPET (elevated pressure and temperature) conditions, and at different angle of inclinations and drill pipe rotation speeds; (2) to conduct experiments and develop a data base for the industry and academia; and (3) to develop mechanistic models for optimization of drilling hydraulics and cuttings transport. This project consisted of research studies, flow loop construction and instrumentation development. Following a one-year period for basic flow loop construction, a proposal was submitted by TU to the DOE for a five-year project that was organized in such a manner as to provide a logical progression of research experiments as well as additions to the basic flow loop. The flow loop additions and improvements included: (1) elevated temperature capability; (2) two-phase (gas and liquid, foam etc.) capability; (3) cuttings injection and removal system; (4) drill pipe rotation system; and (5) drilling section elevation system. In parallel with the flow loop construction, hydraulics and cuttings transport studies were preformed using drilling foams and aerated muds. In addition, hydraulics and rheology of synthetic drilling fluids were investigated. The studies were performed under ambient and EPET conditions. The effects of temperature and pressure on the hydraulics and cuttings transport were investigated. Mechanistic models were developed to predict frictional pressure loss and cuttings transport in horizontal and near-horizontal configurations. Model predictions were compared with the measured data. Predominantly, model predictions show satisfactory agreements with the measured data. As a part of this project, instrumentation was developed to monitor cuttings beds and characterize foams in the flow loop. An ultrasonic-based monitoring system was developed to measure cuttings bed thickness in the flow loop. Data acquisition software controls the system and processes the data. Two foam generating devices were designed and developed to produce foams with specified quality and texture. The devices are equipped with a bubble recognition system and an in-line viscometer to measure bubble size distribution and foam rheology, respectively. The 5-year project is completed. Future research activities will be under the umbrella of Tulsa University Drilling Research Projects. Currently the flow loop is being used for testing cuttings transport capacity of aqueous and polymer-based foams under elevated pressure and temperature conditions. Subsequently, the effect of viscous sweeps on cuttings transport under elevated pressure and temperature conditions will be investigated using the flow loop. Other projects will follow now that the ''steady state'' phase of the project has been achieved.

  8. QUANTIFICATION OF FUGITIVE REACTIVE ALKENE EMISSIONS FROM PETROCHEMICAL PLANTS WITH PERFLUOROCARBON TRACERS.

    SciTech Connect (OSTI)

    SENUM,G.I.; DIETZ,R.N.

    2004-06-30

    Recent studies demonstrate the impact of fugitive emissions of reactive alkenes on the atmospheric chemistry of the Houston Texas metropolitan area (1). Petrochemical plants located in and around the Houston area emit atmospheric alkenes, such as ethene, propene and 1,3-butadiene. The magnitude of emissions is a major uncertainty in assessing their effects. Even though the petrochemical industry reports that fugitive emissions of alkenes have been reduced to less than 0.1% of daily production, recent measurement data, obtained during the TexAQS 2000 experiment indicates that emissions are perhaps a factor of ten larger than estimated values. Industry figures for fugitive emissions are based on adding up estimated emission factors for every component in the plant to give a total estimated emission from the entire facility. The dramatic difference between estimated and measured rates indicates either that calculating emission fluxes by summing estimates for individual components is seriously flawed, possibly due to individual components leaking well beyond their estimated tolerances, that not all sources of emissions for a facility are being considered in emissions estimates, or that there are known sources of emissions that are not being reported. This experiment was designed to confirm estimates of reactive alkene emissions derived from analysis of the TexAQS 2000 data by releasing perfluorocarbon tracers (PFTs) at a known flux from a petrochemical plant and sampling both the perfluorocarbon tracer and reactive alkenes downwind using the Piper-Aztec research aircraft operated by Baylor University. PFTs have been extensively used to determine leaks in pipelines, air infiltration in buildings, and to characterize the transport and dispersion of air parcels in the atmosphere. Over 20 years of development by the Tracer Technology Center (TTC) has produced a range of analysis instruments, field samplers and PFT release equipment that have been successfully deployed in a large variety of experiments. PFTs are inert, nontoxic, noncombustible and nonreactive. Up to seven unique PFTs can be simultaneously released, sampled and analyzed and the technology is well suited for determining emission fluxes from large petrochemical facilities. The PFT experiment described here was designed to quantitate alkene emissions from a single petrochemical facility, but such experiments could be applied to other industrial sources or groups of sources in the Houston area.

  9. Unsaturated flow and transport through fractured rock related to high-level waste repositories; Final report, Phase 3

    SciTech Connect (OSTI)

    Evans, D.D.; Rasmussen, T.C. [Arizona Univ., Tucson, AZ (USA). Dept. of Hydrology and Water Resources

    1991-01-01

    Research results are summarized for a US Nuclear Regulatory Commission contract with the University of Arizona focusing on field and laboratory methods for characterizing unsaturated fluid flow and solute transport related to high-level radioactive waste repositories. Characterization activities are presented for the Apache Leap Tuff field site. The field site is located in unsaturated, fractured tuff in central Arizona. Hydraulic, pneumatic, and thermal characteristics of the tuff are summarized, along with methodologies employed to monitor and sample hydrologic and geochemical processes at the field site. Thermohydrologic experiments are reported which provide laboratory and field data related to the effects conditions and flow and transport in unsaturated, fractured rock. 29 refs., 17 figs., 21 tabs.

  10. A Reactive Force Field study of Li/C Systems for Electrical Energy...

    Office of Scientific and Technical Information (OSTI)

    Reactive Force Field study of LiC Systems for Electrical Energy Storage Citation Details In-Document Search Title: A Reactive Force Field study of LiC Systems for Electrical...

  11. Catalytic and reactive polypeptides and methods for their preparation and use

    DOE Patents [OSTI]

    Schultz, Peter (Oakland, CA)

    1993-01-01

    Catalytic and reactive polypeptides include a binding site specific for a reactant or reactive intermediate involved in a chemical reaction of interest. The polypeptides further include at least one active functionality proximate the bi.

  12. The World Bank - Transport | Open Energy Information

    Open Energy Info (EERE)

    provides relevant information about transport, focusing on The World Bank Transport Strategy - Safe, Clean and Affordable - Transport for Development. The website includes...

  13. Ecolane Transport Conultancy | Open Energy Information

    Open Energy Info (EERE)

    Ecolane Transport Conultancy Jump to: navigation, search Name: Ecolane Transport Conultancy Place: Bristol, United Kingdom Zip: BS3 4UB Product: UK-based sustainable transport...

  14. Financing Sustainable Urban Transport | Open Energy Information

    Open Energy Info (EERE)

    Transport Toolkit Region(s): Global Related Tools Production Costs of Alternative Transportation Fuels Transport Regulation from Theory to Practice: General...

  15. National Transportation Stakeholders Forum (NTSF) | Department...

    Office of Energy Efficiency and Renewable Energy (EERE) Indexed Site

    National Transportation Stakeholders Forum (NTSF) National Transportation Stakeholders Forum (NTSF) National Transportation Stakeholders Forum (NTSF) The U.S. Department of Energy ...

  16. Texas Department of Transportation | Open Energy Information

    Open Energy Info (EERE)

    Texas Department of Transportation Jump to: navigation, search Logo: Texas Department of Transportation Name: Texas Department of Transportation Abbreviation: TxDOT Place: Austin,...

  17. VTPI-Transportation Statistics | Open Energy Information

    Open Energy Info (EERE)

    Area: Transportation Resource Type: Dataset Website: www.vtpi.orgtdmtdm80.htm Cost: Free VTPI-Transportation Statistics Screenshot References: VTPI-Transportation Statistics1...

  18. Reactivity control mechanisms for a HPLWR fuel assembly

    SciTech Connect (OSTI)

    Schlagenhaufer, Marc; Schulenberg, Thomas; Vogt, Bastian

    2007-07-01

    A parametric study of different reactivity control mechanisms has been performed for the cross section of a single fuel assembly of a High Performance Light Water Reactor using the Monte Carlo code MCNP5. The fuel temperature feedback, known as the Doppler Effect, and the coolant density feedback have been determined for fresh UO{sub 2} fuel in a large range of fuel and coolant temperatures. The local shutdown reactivity of different control rods with different absorber materials has been predicted. The neutron flux inside the control rods, the power profile in the fuel pins with and without control rods and the coolant density coefficient have been evaluated for future core optimization. Methods to improve the power profile with additional absorbers mounted outside the fuel cluster have been studied exemplarily. (authors)

  19. Physical Characterization and Steam Chemical Reactivity of Carbon Fiber Composites

    SciTech Connect (OSTI)

    Anderl, Robert Andrew; Pawelko, Robert James; Smolik, Galen Richard

    2001-05-01

    This report documents experiments and analyses that have been done at the Idaho National Engineering and Environmental Laboratory (INEEL) to measure the steam chemical reactivity of two types of carbon fiber composites, NS31 and NB31, proposed for use at the divertor strike points in an ITER-like tokamak. These materials are 3D CFCs constituted by a NOVOLTEX preform and densified by pyrocarbon infiltration and heat treatment. NS31 differs from NB31 in that the final infiltration was done with liquid silicon to reduce the porosity and enhance the thermal conductivity of the CFC. Our approach in this work was twofold: (1) physical characterization measurements of the specimens and (2) measurements of the chemical reactivity of specimens exposed to steam.

  20. Engine combustion control at low loads via fuel reactivity stratification

    DOE Patents [OSTI]

    Reitz, Rolf Deneys; Hanson, Reed M; Splitter, Derek A; Kokjohn, Sage L

    2014-10-07

    A compression ignition (diesel) engine uses two or more fuel charges during a combustion cycle, with the fuel charges having two or more reactivities (e.g., different cetane numbers), in order to control the timing and duration of combustion. By appropriately choosing the reactivities of the charges, their relative amounts, and their timing, combustion can be tailored to achieve optimal power output (and thus fuel efficiency), at controlled temperatures (and thus controlled NOx), and with controlled equivalence ratios (and thus controlled soot). At low load and no load (idling) conditions, the aforementioned results are attained by restricting airflow to the combustion chamber during the intake stroke (as by throttling the incoming air at or prior to the combustion chamber's intake port) so that the cylinder air pressure is below ambient pressure at the start of the compression stroke.

  1. Catalytic destruction of groundwater contaminants in reactive extraction wells

    DOE Patents [OSTI]

    McNab, Jr., Walt W.; Reinhard, Martin

    2002-01-01

    A system for remediating groundwater contaminated with halogenated solvents, certain metals and other inorganic species based on catalytic reduction reactions within reactive well bores. The groundwater treatment uses dissolved hydrogen as a reducing agent in the presence of a metal catalyst, such a palladium, to reduce halogenated solvents (as well as other substituted organic compounds) to harmless species (e.g., ethane or methane) and immobilize certain metals to low valence states. The reactive wells function by removing water from a contaminated water-bearing zone, treating contaminants with a well bore using catalytic reduction, and then reinjecting the treated effluent into an adjacent water-bearing zone. This system offers the advantages of a compact design with a minimal surface footprint (surface facilities) and the destruction of a broad suite of contaminants without generating secondary waste streams.

  2. Solid polymer battery electrolyte and reactive metal-water battery

    DOE Patents [OSTI]

    Harrup, Mason K.; Peterson, Eric S.; Stewart, Frederick F.

    2000-01-01

    In one implementation, a reactive metal-water battery includes an anode comprising a metal in atomic or alloy form selected from the group consisting of periodic table Group 1A metals, periodic table Group 2A metals and mixtures thereof. The battery includes a cathode comprising water. Such also includes a solid polymer electrolyte comprising a polyphosphazene comprising ligands bonded with a phosphazene polymer backbone. The ligands comprise an aromatic ring containing hydrophobic portion and a metal ion carrier portion. The metal ion carrier portion is bonded at one location with the polymer backbone and at another location with the aromatic ring containing hydrophobic portion. The invention also contemplates such solid polymer electrolytes use in reactive metal/water batteries, and in any other battery.

  3. ADVANCED CUTTINGS TRANSPORT STUDY

    SciTech Connect (OSTI)

    Stefan Miska; Nicholas Takach; Kaveh Ashenayi; Mengjiao Yu; Ramadan Ahmed; Mark Pickell; Len Volk; Lei Zhou; Zhu Chen; Aimee Washington; Crystal Redden

    2003-09-30

    The Quarter began with installing the new drill pipe, hooking up the new hydraulic power unit, completing the pipe rotation system (Task 4 has been completed), and making the SWACO choke operational. Detailed design and procurement work is proceeding on a system to elevate the drill-string section. The prototype Foam Generator Cell has been completed by Temco and delivered. Work is currently underway to calibrate the system. Literature review and preliminary model development for cuttings transportation with polymer foam under EPET conditions are in progress. Preparations for preliminary cuttings transport experiments with polymer foam have been completed. Two nuclear densitometers were re-calibrated. Drill pipe rotation system was tested up to 250 RPM. Water flow tests were conducted while rotating the drill pipe up to 100 RPM. The accuracy of weight measurements for cuttings in the annulus was evaluated. Additional modifications of the cuttings collection system are being considered in order to obtain the desired accurate measurement of cuttings weight in the annular test section. Cutting transport experiments with aerated fluids are being conducted at EPET, and analyses of the collected data are in progress. The printed circuit board is functioning with acceptable noise level to measure cuttings concentration at static condition using ultrasonic method. We were able to conduct several tests using a standard low pass filter to eliminate high frequency noise. We tested to verify that we can distinguish between different depths of sand in a static bed of sand. We tested with water, air and a mix of the two mediums. Major modifications to the DTF have almost been completed. A stop-flow cell is being designed for the DTF, the ACTF and Foam Generator/Viscometer which will allow us to capture bubble images without the need for ultra fast shutter speeds or microsecond flash system.

  4. Alternatives for Mending a Permeable Reactive Barrier at a Former Uranium

    Office of Energy Efficiency and Renewable Energy (EERE) Indexed Site

    Milling Site: Monticello, Utah | Department of Energy Alternatives for Mending a Permeable Reactive Barrier at a Former Uranium Milling Site: Monticello, Utah Alternatives for Mending a Permeable Reactive Barrier at a Former Uranium Milling Site: Monticello, Utah Alternatives for Mending a Permeable Reactive Barrier at a Former Uranium Milling Site: Monticello, Utah PDF icon Alternatives for Mending a Permeable Reactive Barrier at a Former Uranium Milling Site: Monticello, Utah More

  5. Reactive Distillation for Esterification of Bio-based Organic Acids

    SciTech Connect (OSTI)

    Fields, Nathan; Miller, Dennis J.; Asthana, Navinchandra S.; Kolah, Aspi K.; Vu, Dung; Lira, Carl T.

    2008-09-23

    The following is the final report of the three year research program to convert organic acids to their ethyl esters using reactive distillation. This report details the complete technical activities of research completed at Michigan State University for the period of October 1, 2003 to September 30, 2006, covering both reactive distillation research and development and the underlying thermodynamic and kinetic data required for successful and rigorous design of reactive distillation esterification processes. Specifically, this project has led to the development of economical, technically viable processes for ethyl lactate, triethyl citrate and diethyl succinate production, and on a larger scale has added to the overall body of knowledge on applying fermentation based organic acids as platform chemicals in the emerging biorefinery. Organic acid esters constitute an attractive class of biorenewable chemicals that are made from corn or other renewable biomass carbohydrate feedstocks and replace analogous petroleum-based compounds, thus lessening U.S. dependence on foreign petroleum and enhancing overall biorefinery viability through production of value-added chemicals in parallel with biofuels production. Further, many of these ester products are candidates for fuel (particularly biodiesel) components, and thus will serve dual roles as both industrial chemicals and fuel enhancers in the emerging bioeconomy. The technical report from MSU is organized around the ethyl esters of four important biorenewables-based acids: lactic acid, citric acid, succinic acid, and propionic acid. Literature background on esterification and reactive distillation has been provided in Section One. Work on lactic acid is covered in Sections Two through Five, citric acid esterification in Sections Six and Seven, succinic acid in Section Eight, and propionic acid in Section Nine. Section Ten covers modeling of ester and organic acid vapor pressure properties using the SPEAD (Step Potential Equilibrium and Dynamics) method.

  6. Point kinetics calculations with fully coupled thermal fluids reactivity feedback

    SciTech Connect (OSTI)

    Zhang, H.; Zou, L.; Andrs, D.; Zhao, H.; Martineau, R.

    2013-07-01

    The point kinetics model has been widely used in the analysis of the transient behavior of a nuclear reactor. In the traditional nuclear reactor system safety analysis codes such as RELAP5, the reactivity feedback effects are calculated in a loosely coupled fashion through operator splitting approach. This paper discusses the point kinetics calculations with the fully coupled thermal fluids and fuel temperature feedback implemented into the RELAP-7 code currently being developed with the MOOSE framework. (authors)

  7. Reactivation of landslides by surface subsidence from longwall mining

    SciTech Connect (OSTI)

    Iannacchione, A.T.; Ackman, T.E.

    1984-12-01

    Subsidence research by the US Bureau of Mines has identified and documented the occurrence of landslides over a longwall mining area in the Dunkard basin. Mining by longwall methods has been observed or produce a gradual surface subsidence profile of up to 60% of the thickness of the mined coal bed. The gradual subsidence of panels averaging 600 x 5000 ft (180 x 1525 m) can cause reactivation of older landslide deposits by decreasing the support to the landslide toe area. Examination of surficial features over a longwall mining area comprised of nine panels has led to the identification of several reactivated landslides. The two largest landslides occurred above a thin sandstone member with several associated springs. The largest landslides ranged from 100 to 300 ft (30 to 90 m) in length and from 100 to 200 ft (30 to 60 m) in width. Maximum scarp-slope displacements were approximately 7 ft (2 m). Less significant mass wasting was also observed over the longwall panels. Identification of landslides was accomplished through examination of premining aerial photographs and geologic field investigation. Characterization of reactivated zones was achieved through evaluation of current aerial 2-ft (0.6-m) surface contour map and field surveys. Recognition of problem areas will make civic and mining personnel aware of the landslide potential so that damage in such areas can be minimized.

  8. Reactivity transients during a blowdown in a MSIV closure ATWS

    SciTech Connect (OSTI)

    Cheng, H.S.; Diamond, D.J. (Brookhaven National Lab., Upton, NY (USA))

    1988-01-01

    Anticipated transients without scram (ATWS) events have received considerable attention in the past and are still a subject of great interest in severe-accident analysis. Of special interest is the effect of the low-pressure emergency core cooling system (ECCS) on the plant response following a blowdown by the automatic depressurization system (ADS). There is a potential for positive reactivity insertion due to the cold water injection of the low-pressure coolant injection (LPCI) system and the low-pressure core spray system in a boiling water reactor (BWR)/4. The main concern is whether a power excursion and pressure oscillation can occur in such an event. Furthermore, since thermal-hydraulic feedback plays an important role in these accidents, the uncertainty of the reactivity feedback coefficients used can impact the outcome of the analysis for such a power excursion. The objectives of the work reported in this paper are to study the consequences of the reactivity transients during a blowdown in an ATWS event with closure of the main steam isolation valves (MSIVs) and to evaluate the effect of the LPCI system and the sensitivity of plant response to the feedback coefficients. This work was performed with the Brookhaven National Laboratory plant analyzer.

  9. The role of organic complexants and microparticulates in the facilitated transport of radionuclides

    SciTech Connect (OSTI)

    Schilk, A.J.; Robertson, D.E.; Abel, K.H.; Thomas, C.W.

    1996-12-01

    This progress report describes the results of ongoing radiological and geochemical investigations of the mechanisms of radionuclide transport in groundwater at two low-level waste (LLW) disposal sites within the waste management area of the Chalk River Laboratories (CRL), Ontario, Canada. These sites, the Chemical Pit liquid disposal facility and the Waste Management Area C solid LLW disposal site, have provided valuable 30- to 40-year-old field locations for characterizing the migration of radionuclides and evaluating a number of recent site performance objectives for LLW disposal facilities. This information will aid the NRC and other federal, state, and local regulators, as well as LLW disposal site developers and waste generators, in maximizing the effectiveness of existing or projected LLW disposal facilities for isolating radionuclides from the general public and thereby improving the health and safety aspects of LLW disposal.

  10. ADVANCED CUTTINGS TRANSPORT STUDY

    SciTech Connect (OSTI)

    Troy Reed; Stefan Miska; Nicholas Takach; Kaveh Ashenayi; Mark Pickell; Len Volk; Mike Volk; Lei Zhou; Zhu Chen; Crystal Redden; Aimee Washington

    2003-07-30

    This Quarter has been divided between running experiments and the installation of the drill-pipe rotation system. In addition, valves and piping were relocated, and three viewports were installed. Detailed design work is proceeding on a system to elevate the drill-string section. Design of the first prototype version of a Foam Generator has been finalized, and fabrication is underway. This will be used to determine the relationship between surface roughness and ''slip'' of foams at solid boundaries. Additional cups and rotors are being machined with different surface roughness. Some experiments on cuttings transport with aerated fluids have been conducted at EPET. Theoretical modeling of cuttings transport with aerated fluids is proceeding. The development of theoretical models to predict frictional pressure losses of flowing foam is in progress. The new board design for instrumentation to measure cuttings concentration is now functioning with an acceptable noise level. The ultrasonic sensors are stable up to 190 F. Static tests with sand in an annulus indicate that the system is able to distinguish between different sand concentrations. Viscometer tests with foam, generated by the Dynamic Test Facility (DTF), are continuing.

  11. Ionic Liquids: Radiation Chemistry, Solvation Dynamics and Reactivity Patterns

    SciTech Connect (OSTI)

    Wishart, J.F.

    2011-06-12

    Ionic liquids (ILs) are a rapidly expanding family of condensed-phase media with important applications in energy production, nuclear fuel and waste processing, improving the efficiency and safety of industrial chemical processes, and pollution prevention. ILs generally have low volatilities and are combustion-resistant, highly conductive, recyclable and capable of dissolving a wide variety of materials. They are finding new uses in chemical synthesis, catalysis, separations chemistry, electrochemistry and other areas. Ionic liquids have dramatically different properties compared to conventional molecular solvents, and they provide a new and unusual environment to test our theoretical understanding of primary radiation chemistry, charge transfer and other reactions. We are interested in how IL properties influence physical and dynamical processes that determine the stability and lifetimes of reactive intermediates and thereby affect the courses of reactions and product distributions. We study these issues by characterization of primary radiolysis products and measurements of their yields and reactivity, quantification of electron solvation dynamics and scavenging of electrons in different states of solvation. From this knowledge we wish to learn how to predict radiolytic mechanisms and control them or mitigate their effects on the properties of materials used in nuclear fuel processing, for example, and to apply IL radiation chemistry to answer questions about general chemical reactivity in ionic liquids that will aid in the development of applications listed above. Very early in our radiolysis studies it became evident that the slow solvation dynamics of the excess electron in ILs (which vary over a wide viscosity range) increase the importance of pre-solvated electron reactivity and consequently alter product distributions and subsequent chemistry. This difference from conventional solvents has profound effects on predicting and controlling radiolytic yields, which need to be quantified for the successful use under radiolytic conditions. Electron solvation dynamics in ILs are measured directly when possible and estimated using proxies (e.g. coumarin-153 dynamic emission Stokes shifts or benzophenone anion solvation) in other cases. Electron reactivity is measured using ultrafast kinetics techniques for comparison with the solvation process.

  12. Resolving the mystery of transport within internal transport barriers

    SciTech Connect (OSTI)

    Staebler, G. M.; Belli, E. A.; Candy, J.; Waltz, R. E.; Greenfield, C. M.; Lao, L. L.; Smith, S. P.; Kinsey, J. E.; Grierson, B. A.; Chrystal, C.

    2014-05-15

    The Trapped Gyro-Landau Fluid (TGLF) quasi-linear model [G. M. Staebler, et al., Phys. Plasmas 12, 102508 (2005)], which is calibrated to nonlinear gyrokinetic turbulence simulations, is now able to predict the electron density, electron and ion temperatures, and ion toroidal rotation simultaneously for internal transport barrier (ITB) discharges. This is a strong validation of gyrokinetic theory of ITBs, requiring multiple instabilities responsible for transport in different channels at different scales. The mystery of transport inside the ITB is that momentum and particle transport is far above the predicted neoclassical levels in apparent contradiction with the expectation from the theory of suppression of turbulence by EB velocity shear. The success of TGLF in predicting ITB transport is due to the inclusion of ion gyro-radius scale modes that become dominant at high EB velocity shear and to improvements to TGLF that allow momentum transport from gyrokinetic turbulence to be faithfully modeled.

  13. Mercury Geochemical, Groundwater Geochemical, And Radiometric...

    Open Energy Info (EERE)

    at right angles to known and suspected faults. Scintillometer readings (gamma radiation - total counts second) were also recorded at each soil sample station. At the...

  14. Isotope Program Transportation | Department of Energy

    Office of Environmental Management (EM)

    Isotope Program Transportation Isotope Program Transportation PDF icon Isotope Program Transportation More Documents & Publications Nuclear Fuel Storage and Transportation Planning Project Overview Section 180(c) Ad Hoc Working Group DOE Office of Nuclear Energy

  15. Nuclear Transportation Management Services | Department of Energy

    Office of Environmental Management (EM)

    Transportation Management Services Nuclear Transportation Management Services PDF icon Nuclear Transportation Management Services More Documents & Publications Transportation and Program Management Services Pueblo de San Ildefonso Shoshone-Bannock Tribes

  16. NREL: Transportation Research - Archives for the Transportation and

    Broader source: All U.S. Department of Energy (DOE) Office Webpages (Extended Search)

    Hydrogen Newsletter Archives for the Transportation and Hydrogen Newsletter To read past issues of the Transportation and Hydrogen Newsletter, select from the list below. January 2016 - Sustainable Mobility November 2015 - Energy Storage August 2015 - Deployment May 2015 - Hydrogen & Fuel Cell Technology March 2015 - Fuels and Combustion January 2015 - The Future of Sustainable Transportation December 2014 - Marketplace Impact October 2014 - Reliability, Durability, and Safety July 2014

  17. NREL: Transportation Research - Subscribe to the Transportation and

    Broader source: All U.S. Department of Energy (DOE) Office Webpages (Extended Search)

    Hydrogen Newsletter Subscribe to the Transportation and Hydrogen Newsletter To subscribe to or unsubscribe from the Transportation and Hydrogen Newsletter, complete one of the forms below. Subscribe To subscribe to the newsletter, submit your email address. Email: Submit Unsubscribe To unsubscribe from the newsletter, submit your email address. Email: Submit Printable Version Transportation Research Home Capabilities Projects Success Stories Facilities Working with Us Publications Data &

  18. Geochemical Weathering Increases Lead Bioaccessibility in Semi-Arid Mine Tailings

    SciTech Connect (OSTI)

    Hayes, Sarah M.; Webb, Sam M.; Bargar, John R.; O?Day, Peggy A.; Maier, Raina M.; Chorover, Jon

    2012-09-05

    Mine tailings can host elevated concentrations of toxic metal(loid)s that represent a significant hazard to surrounding communities and ecosystems. Eolian transport, capable of translocating small (micrometer-sized) particles, can be the dominant mechanism of toxic metal dispersion in arid or semiarid landscapes. Human exposure to metals can then occur via direct inhalation or ingestion of particulates. The fact that measured doses of total lead (Pb) in geomedia correlate poorly with blood Pb levels highlights a need to better resolve the precise distribution of molecularly speciated metal-bearing phases in the complex particle mixtures. Species distribution controls bioaccessibility, thereby directly impacting health risk. This study seeks to correlate Pb-containing particle size and mineral composition with lability and bioaccessibility in mine tailings subjected to weathering in a semiarid environment. We employed X-ray absorption spectroscopy (XAS) and X-ray fluorescence (XRF), coupled with sequential chemical extractions, to study Pb speciation in tailings from the semiarid Arizona Klondyke State Superfund Site. Representative samples ranging in pH from 2.6 to 5.4 were selected for in-depth study of Pb solid-phase speciation. The principle lead-bearing phase was plumbojarosite (PbFe{sub 6}(SO{sub 4}){sub 4}(OH){sub 12}), but anglesite (PbSO{sub 4}) and iron oxide-sorbed Pb were also observed. Anglesite, the most bioavailable mineral species of lead identified in this study, was enriched in surficial tailings samples, where Pb concentrations in the clay size fraction were 2-3 times higher by mass relative to bulk. A mobile and bioaccessible Pb phase accumulates in surficial tailings, with a corresponding increase in risk of human exposure to atmospheric particles.

  19. DOE TMD transportation training module 14 transportation of explosives

    SciTech Connect (OSTI)

    Griffith, R.L. Jr.

    1994-07-01

    The Department of Energy Transportation Management Division has developed training module 14, entitled {open_quotes}Transportation of Explosives{close_quotes} to compliment the basic {open_quotes}core ten{close_quotes} training modules of the Hazardous Materials Modular Training Program. The purpose of this training module is to increase awareness of the Department of Transportation (DOT) requirements concerning the packaging and transportation of explosives. Topics covered in module 14 include the classification of explosives, approval and registration of explosives, packaging requirements, hazard communication requirements, separation and segregation compatibility requirements, loading and unloading operations, as well as safety measures required in the event of a vehicle accident involving explosives.

  20. Transportation and Stationary Power Integration Workshop Session...

    Office of Energy Efficiency and Renewable Energy (EERE) Indexed Site

    More Documents & Publications Transportation and Stationary Power Integration Workshop Agenda, October 27, 2008, Phoenix, Arizonia Transportation and Stationary Power Integration: ...

  1. Intelligent Transportation Systems Deployment Analysis System...

    Open Energy Info (EERE)

    Transportation Systems Deployment Analysis System AgencyCompany Organization: Cambridge Systematics Sector: Energy Focus Area: Transportation Resource Type: Software...

  2. Advancing Transportation Through Vehicle Electrification - PHEV...

    Office of Energy Efficiency and Renewable Energy (EERE) Indexed Site

    More Documents & Publications Advancing Transportation Through Vehicle Electrification - ... Office Merit Review 2014: Advancing Transportation through Vehicle Electrification - Ram ...

  3. Transportation, Aging and Disposal Canister System Performance...

    Office of Energy Efficiency and Renewable Energy (EERE) Indexed Site

    Transportation, Aging and Disposal Canister System Performance Specification: Revision 1 Transportation, Aging and Disposal Canister System Performance Specification: Revision 1 ...

  4. Advanced Vehicle Electrification & Transportation Sector Electrificati...

    Office of Energy Efficiency and Renewable Energy (EERE) Indexed Site

    & Transportation Sector Electrification Advanced Vehicle Electrification & Transportation Sector Electrification 2011 DOE Hydrogen and Fuel Cells Program, and Vehicle Technologies ...

  5. Supertruck - Improving Transportation Efficiency through Integrated...

    Office of Energy Efficiency and Renewable Energy (EERE) Indexed Site

    Improving Transportation Efficiency through Integrated Vehicle, Engine and Powertrain Research Supertruck - Improving Transportation Efficiency through Integrated Vehicle, Engine ...

  6. Africa's Transport Infrastructure Mainstreaming Maintenance and...

    Open Energy Info (EERE)

    Transport Infrastructure Mainstreaming Maintenance and Management Jump to: navigation, search Tool Summary LAUNCH TOOL Name: Africa's Transport Infrastructure Mainstreaming...

  7. Transportation Emergency Preparedness Program | Department of...

    Office of Environmental Management (EM)

    Program Transportation Emergency Preparedness Program Planning for a Shipment Campaign - Identification of Responder Needs PDF icon Transportation Emergency Preparedness Program...

  8. Enhancing Transportation Energy Security through Advanced Combustion...

    Office of Energy Efficiency and Renewable Energy (EERE) Indexed Site

    Transportation Energy Security through Advanced Combustion and Fuels Technologies Enhancing Transportation Energy Security through Advanced Combustion and Fuels Technologies 2005 ...

  9. Transportation Issues and Resolutions Compilation of Laboratory

    Office of Energy Efficiency and Renewable Energy (EERE) Indexed Site

    Transportation Work Package Reports | Department of Energy Transportation Issues and Resolutions Compilation of Laboratory Transportation Work Package Reports Transportation Issues and Resolutions Compilation of Laboratory Transportation Work Package Reports The Transportation Team identified the retrievability and subcriticality safety functions to be of primary importance to the transportation of UNF after extended storage and to transportation of high burnup fuel. The tasks performed and

  10. Department of Transportation Pipeline and Hazardous Materials...

    Office of Environmental Management (EM)

    Transportation Pipeline and Hazardous Materials Safety Administration Activities Department of Transportation Pipeline and Hazardous Materials Safety Administration Activities...

  11. Transportation Efficiency Financial Incentives and Program Resources...

    Office of Energy Efficiency and Renewable Energy (EERE) Indexed Site

    Financial Incentives and Program Resources Transportation Efficiency Financial Incentives and Program Resources While transportation efficiency policies are often implemented under ...

  12. Westminster Energy Environment Transport Forum | Open Energy...

    Open Energy Info (EERE)

    Westminster Energy Environment Transport Forum Jump to: navigation, search Name: Westminster Energy, Environment & Transport Forum Place: United Kingdom Product: String...

  13. Transportation Statistics Annual Report 1997

    SciTech Connect (OSTI)

    Fenn, M.

    1997-01-01

    This document is the fourth Transportation Statistics Annual Report (TSAR) prepared by the Bureau of Transportation Statistics (BTS) for the President and Congress. As in previous years, it reports on the state of U.S. transportation system at two levels. First, in Part I, it provides a statistical and interpretive survey of the systemits physical characteristics, its economic attributes, aspects of its use and performance, and the scale and severity of unintended consequences of transportation, such as fatalities and injuries, oil import dependency, and environment impacts. Part I also explores the state of transportation statistics, and new needs of the rapidly changing world of transportation. Second, Part II of the report, as in prior years, explores in detail the performance of the U.S. transportation system from the perspective of desired social outcomes or strategic goals. This year, the performance aspect of transportation chosen for thematic treatment is Mobility and Access, which complements past TSAR theme sections on The Economic Performance of Transportation (1995) and Transportation and the Environment (1996). Mobility and access are at the heart of the transportation systems performance from the users perspective. In what ways and to what extent does the geographic freedom provided by transportation enhance personal fulfillment of the nations residents and contribute to economic advancement of people and businesses? This broad question underlies many of the topics examined in Part II: What is the current level of personal mobility in the United States, and how does it vary by sex, age, income level, urban or rural location, and over time? What factors explain variations? Has transportation helped improve peoples access to work, shopping, recreational facilities, and medical services, and in what ways and in what locations? How have barriers, such as age, disabilities, or lack of an automobile, affected these accessibility patterns? How are commodity flows and transportation services responding to global competition, deregulation, economic restructuring, and new information technologies? How do U.S. patterns of personal mobility and freight movement compare with other advanced industrialized countries, formerly centrally planned economies, and major newly industrializing countries? Finally, how is the rapid adoption of new information technologies influencing the patterns of transportation demand and the supply of new transportation services? Indeed, how are information technologies affecting the nature and organization of transportation services used by individuals and firms?

  14. Transportation (technology 86)

    SciTech Connect (OSTI)

    Caplan, G.

    1986-01-01

    As railroads strive to cut operating and maintenance costs in an increasingly competitive transportation industry, AC propulsion and microprocessors figure prominently in their plans. New generations of locomotives and cars incorporating AC propulsion and microprocessors entered service last year, and the trend is destined to continue. Electronics is also making possible freight trains that rely on a telemetry unit at the rear to monitor airbrake pressure, instead of a manned caboose. AC is gaining acceptance because it permits simpler motors with fewer parts to wear and replace, and it saves energy by allowing the traction motors to work as generators during braking. Microprocessors are being used in locomotives not only to reduce energy waste through better regulation of traction motor currents and auxiliary devices such as cooling fans, but also to control engine speed, braking, and other functions.

  15. Hydrogen transport membranes

    DOE Patents [OSTI]

    Mundschau, Michael V.

    2005-05-31

    Composite hydrogen transport membranes, which are used for extraction of hydrogen from gas mixtures are provided. Methods are described for supporting metals and metal alloys which have high hydrogen permeability, but which are either too thin to be self supporting, too weak to resist differential pressures across the membrane, or which become embrittled by hydrogen. Support materials are chosen to be lattice matched to the metals and metal alloys. Preferred metals with high permeability for hydrogen include vanadium, niobium, tantalum, zirconium, palladium, and alloys thereof. Hydrogen-permeable membranes include those in which the pores of a porous support matrix are blocked by hydrogen-permeable metals and metal alloys, those in which the pores of a porous metal matrix are blocked with materials which make the membrane impervious to gases other than hydrogen, and cermets fabricated by sintering powders of metals with powders of lattice-matched ceramic.

  16. Heat transport system

    DOE Patents [OSTI]

    Harkness, Samuel D. (McMurray, PA)

    1982-01-01

    A falling bed of ceramic particles receives neutron irradiation from a neutron-producing plasma and thereby transports energy as heat from the plasma to a heat exchange location where the ceramic particles are cooled by a gas flow. The cooled ceramic particles are elevated to a location from which they may again pass by gravity through the region where they are exposed to neutron radiation. Ceramic particles of alumina, magnesia, silica and combinations of these materials are contemplated as high-temperature materials that will accept energy from neutron irradiation. Separate containers of material incorporating lithium are exposed to the neutron flux for the breeding of tritium that may subsequently be used in neutron-producing reactions. The falling bed of ceramic particles includes velocity partitioning between compartments near to the neutron-producing plasma and compartments away from the plasma to moderate the maximum temperature in the bed.

  17. OXYGEN TRANSPORT CERAMIC MEMBRANES

    SciTech Connect (OSTI)

    Dr. Sukumar Bandopadhyay; Dr. Nagendra Nagabhushana

    2003-01-01

    In the present quarter, experiments are presented on ceramic/metal interactions of Zirconia/Ni-B-Si system and with a thin Ti coating deposited on zirconia surface. Processing of perovskites of LSC, LSF and LSCF composition for evaluation of mechanical properties as a function of environment are begun. The studies are to be in parallel with LSFCO composition to characterize the segregation of cations and slow crack growth in environmental conditions. La{sub 1-x}Sr{sub x}FeO{sub 3-d} has also been characterized for paramagnetic ordering at room temperature and the evolution of magnetic moments as a function of temperature are investigated. Investigation on the thermodynamic properties of the membrane materials are continued to develop a complete model for the membrane transport.

  18. Nanoengineered membranes for controlled transport

    DOE Patents [OSTI]

    Doktycz, Mitchel J. (Oak Ridge, TN) [Oak Ridge, TN; Simpson, Michael L. (Knoxville, TN) [Knoxville, TN; McKnight, Timothy E. (Greenback, TN) [Greenback, TN; Melechko, Anatoli V. (Oak Ridge, TN) [Oak Ridge, TN; Lowndes, Douglas H. (Knoxville, TN) [Knoxville, TN; Guillorn, Michael A. (Knoxville, TN) [Knoxville, TN; Merkulov, Vladimir I. (Oak Ridge, TN) [Oak Ridge, TN

    2010-01-05

    A nanoengineered membrane for controlling material transport (e.g., molecular transport) is disclosed. The membrane includes a substrate, a cover definining a material transport channel between the substrate and the cover, and a plurality of fibers positioned in the channel and connected to an extending away from a surface of the substrate. The fibers are aligned perpendicular to the surface of the substrate, and have a width of 100 nanometers or less. The diffusion limits for material transport are controlled by the separation of the fibers. In one embodiment, chemical derivitization of carbon fibers may be undertaken to further affect the diffusion limits or affect selective permeability or facilitated transport. For example, a coating can be applied to at least a portion of the fibers. In another embodiment, individually addressable carbon nanofibers can be integrated with the membrane to provide an electrical driving force for material transport.

  19. computational-hydraulics-for-transportation

    Broader source: All U.S. Department of Energy (DOE) Office Webpages (Extended Search)

    Transportation Workshop Sept. 23-24, 2009 Argonne TRACC Dr. Steven Lottes This email address is being protected from spambots. You need JavaScript enabled to view it. Announcement pdficon small The Transportation Research and Analysis Computing Center at Argonne National Laboratory will hold a workshop on the use of computational hydraulics for transportation applications. The goals of the workshop are: Bring together people who are using or would benefit from the use of high performance cluster

  20. transportation-system-modeling-webinar

    Broader source: All U.S. Department of Energy (DOE) Office Webpages (Extended Search)

    Webinar Announcement Webinar for the Intelligent Transportation Society of the Midwest (ITS Midwest) May 16, 2011 1:00 PM(CST) Hubert Ley Director, TRACC Argonne National Laboratory Argonne, Illinois High Performance Computing in Transportation Research - High Fidelity Transportation Models and More The Role of High-Performance Computing Because ITS relies on a very diverse collection of technologies, including communication and control technologies, advanced computing, information management

  1. National Transportation Fuels Model | NISAC

    Broader source: All U.S. Department of Energy (DOE) Office Webpages (Extended Search)

    NISACCapabilitiesNational Transportation Fuels Model content top National Transportation Fuels Model This model informs analyses of the availability of transportation fuel in the event the fuel supply chain is disrupted. The portion of the fuel supply system represented by the network model (see figure) spans from oil fields to fuel distribution terminals. Different components of this system (e.g., crude oil import terminals, refineries, transmission pipelines, and tank farms) can be disrupted,

  2. Minority Transportation Expenditure Allocation Model

    Energy Science and Technology Software Center (OSTI)

    1993-04-12

    MITRAM (Minority TRansportation expenditure Allocation Model) can project various transportation related attributes of minority (Black and Hispanic) and majority (white) populations. The model projects vehicle ownership, vehicle miles of travel, workers, new car and on-road fleet fuel economy, amount and share of household income spent on gasoline, and household expenditures on public transportation and taxis. MITRAM predicts reactions to sustained fuel price changes for up to 10 years after the change.

  3. Transportation Projects | Department of Energy

    Office of Energy Efficiency and Renewable Energy (EERE) Indexed Site

    Technology Validation » Transportation Projects Transportation Projects Because highway vehicles account for a large share of petroleum use, carbon dioxide (a primary greenhouse gas) emissions, and air pollution, advances in fuel cell power systems for transportation could substantially improve our energy security and air quality. However, few fuel-cell-powered vehicles are in use today; even fewer are available commercially. A number of fuel cell vehicle demonstrations are currently underway

  4. Sustainable Transportation | Department of Energy

    Office of Energy Efficiency and Renewable Energy (EERE) Indexed Site

    Sustainable Transportation Sustainable Transportation Bioenergy Bioenergy Read more Hydrogen and Fuel Cells Hydrogen and Fuel Cells Read more Vehicles Vehicles Read more The Office of Energy Efficiency and Renewable Energy (EERE) leads U.S. researchers and other partners in making transportation cleaner and more efficient through solutions that put electric drive vehicles on the road and replace oil with clean domestic fuels. Through our Vehicle, Bioenergy, and Fuel Cell Technologies Offices,

  5. Rapid hydrogen gas generation using reactive thermal decomposition of uranium hydride.

    SciTech Connect (OSTI)

    Kanouff, Michael P.; Van Blarigan, Peter; Robinson, David B.; Shugard, Andrew D.; Gharagozloo, Patricia E.; Buffleben, George M.; James, Scott Carlton; Mills, Bernice E.

    2011-09-01

    Oxygen gas injection has been studied as one method for rapidly generating hydrogen gas from a uranium hydride storage system. Small scale reactors, 2.9 g UH{sub 3}, were used to study the process experimentally. Complimentary numerical simulations were used to better characterize and understand the strongly coupled chemical and thermal transport processes controlling hydrogen gas liberation. The results indicate that UH{sub 3} and O{sub 2} are sufficiently reactive to enable a well designed system to release gram quantities of hydrogen in {approx} 2 seconds over a broad temperature range. The major system-design challenge appears to be heat management. In addition to the oxidation tests, H/D isotope exchange experiments were performed. The rate limiting step in the overall gas-to-particle exchange process was found to be hydrogen diffusion in the {approx}0.5 {mu}m hydride particles. The experiments generated a set of high quality experimental data; from which effective intra-particle diffusion coefficients can be inferred.

  6. Natural gas marketing and transportation

    SciTech Connect (OSTI)

    Not Available

    1991-01-01

    This book covers: Overview of the natural gas industry; Federal regulation of marketing and transportation; State regulation of transportation; Fundamentals of gas marketing contracts; Gas marketing options and strategies; End user agreements; Transportation on interstate pipelines; Administration of natural gas contracts; Structuring transactions with the nonconventional source fuels credit; Take-or-pay wars- a cautionary analysis for the future; Antitrust pitfalls in the natural gas industry; Producer imbalances; Natural gas futures for the complete novice; State non-utility regulation of production, transportation and marketing; Natural gas processing agreements and Disproportionate sales, gas balancing, and accounting to royalty owners.

  7. Transportation Security | Department of Energy

    Office of Environmental Management (EM)

    Transportation Security More Documents & Publications Overview for Newcomers West Valley Demonstration Project Low-Level Waste Shipment Indiana Department of Homeland...

  8. Air Transport Optimization Model | NISAC

    Broader source: All U.S. Department of Energy (DOE) Office Webpages (Extended Search)

    NISACAir Transport Optimization Model content top Network Optimization Models (RNAS and ATOM) Posted by Admin on Mar 1, 2012 in | Comments 0 comments Many critical infrastructures...

  9. NREL: Transportation Research - Energy Storage

    Broader source: All U.S. Department of Energy (DOE) Office Webpages (Extended Search)

    Energy Storage Transportation Research Cutaway image of an automobile showing the location of energy storage components (battery and inverter), as well as electric motor, power ...

  10. Office of Secure Transportation Activities

    Office of Environmental Management (EM)

    Briefing Our Mission To provide safe and secure ground and air transportation of nuclear weapons, nuclear weapons components, and special nuclear materials and conduct other ...

  11. Hydrogen Atom Reactivity toward Aqueous tert-Butyl Alcohol

    SciTech Connect (OSTI)

    Lymar S. V.; Schwarz, H.A.

    2012-02-09

    Through a combination of pulse radiolysis, purification, and analysis techniques, the rate constant for the H + (CH{sub 3}){sub 3}COH {yields} H{sub 2} + {sm_bullet}CH{sub 2}C(CH{sub 3}){sub 2}OH reaction in aqueous solution is definitively determined to be (1.0 {+-} 0.15) x 10{sup 5} M{sup -1} s{sup -1}, which is about half of the tabulated number and 10 times lower than the more recently suggested revision. Our value fits on the Polanyi-type, rate-enthalpy linear correlation ln(k/n) = (0.80 {+-} 0.05){Delta}H + (3.2 {+-} 0.8) that is found for the analogous reactions of other aqueous aliphatic alcohols with n equivalent abstractable H atoms. The existence of such a correlation and its large slope are interpreted as an indication of the mechanistic similarity of the H atom abstraction from {alpha}- and {beta}-carbon atoms in alcohols occurring through the late, product-like transition state. tert-Butyl alcohol is commonly contaminated by much more reactive secondary and primary alcohols (2-propanol, 2-butanol, ethanol, and methanol), whose content can be sufficient for nearly quantitative scavenging of the H atoms, skewing the H atom reactivity pattern, and explaining the disparity of the literature data on the H + (CH{sub 3}){sub 3}COH rate constant. The ubiquitous use of tert-butyl alcohol in pulse radiolysis for investigating H atom reactivity and the results of this work suggest that many other previously reported rate constants for the H atom, particularly the smaller ones, may be in jeopardy.

  12. Wet oxidation of high-concentration reactive dyes

    SciTech Connect (OSTI)

    Chen, G.; Lei, L.; Yue, P.L.

    1999-05-01

    Advanced oxidation methods were used to degrade reactive dyes at high concentrations in aqueous solutions. Wet peroxide oxidation (WPO) was found to be the best method in terms of the removal of color and total organic carbon (TOC). Reactive blue (Basilen Brilliant Blue P-3R) was chosen as a model dye for determining the suitable reaction conditions. The variables studied include reaction temperature, H{sub 2}O{sub 2} dosage, solution pH, dye concentration, and catalyst usage. The removal of TOC and color by wet oxidation is very sensitive to the reaction temperature. At 150 C, the removal of 77% TOC and 90% color was obtained in less than 30 min. The initial TOC removal rate is proportional to the H{sub 2}O{sub 2} dosage. The TOC removal is insignificant even when 50% of the stoichiometric amount of H{sub 2}O{sub 2} is used. No color change is observed until the dosage of H{sub 2}O{sub 2} is 100% of the stoichiometric amount. The color removal is closely related to TOC removal. When the pH of the solution is adjusted to 3.5, the dye degradation rate increases significantly. The rates of TOC and color removal are enhanced by using a Cu{sup 2+} catalyst. Another four reactive dyes, Procion Red PX-4B, Cibacron Yellow P-6GS, Cibacron Brown P-6R, and Procion Black PX-2R, were treated at 150 C using WPO. More than 80% TOC was removed from the solution in less than 15 min. The process can remove the colors of al these dyes except Procion Black PX-2R.

  13. Gas sampling system for reactive gas-solid mixtures

    DOE Patents [OSTI]

    Daum, Edward D. (Alliance, OH); Downs, William (Alliance, OH); Jankura, Bryan J. (Mogadore, OH); McCoury, Jr., John M. (Mineral City, OH)

    1989-01-01

    An apparatus and method for sampling a gas containing a reactive particulate solid phase flowing through a duct and for communicating a representative sample to a gas analyzer. A sample probe sheath 32 with an angular opening 34 extends vertically into a sample gas duct 30. The angular opening 34 is opposite the gas flow. A gas sampling probe 36 concentrically located within sheath 32 along with calibration probe 40 partly extend in the sheath 32. Calibration probe 40 extends further in the sheath 32 than gas sampling probe 36 for purging the probe sheath area with a calibration gas during calibration.

  14. Gas sampling system for reactive gas-solid mixtures

    DOE Patents [OSTI]

    Daum, Edward D. (Alliance, OH); Downs, William (Alliance, OH); Jankura, Bryan J. (Mogadore, OH); McCoury, Jr., John M. (Mineral City, OH)

    1990-01-01

    An apparatus and method for sampling gas containing a reactive particulate solid phase flowing through a duct and for communicating a representative sample to a gas analyzer. A sample probe sheath 32 with an angular opening 34 extends vertically into a sample gas duct 30. The angular opening 34 is opposite the gas flow. A gas sampling probe 36 concentrically located within sheath 32 along with calibration probe 40 partly extends in the sheath 32. Calibration probe 40 extends further in the sheath 32 than gas sampling probe 36 for purging the probe sheath area with a calibration gas during calibration.

  15. Perspective on fossil power plant layup and reactivation

    SciTech Connect (OSTI)

    Tsou, J.L.

    1996-12-31

    In recent years, many utilities have developed excess generation capacity problems during period of low system load growth, particularly with new generation units coming on-line. System load studies may indicate that the situation is temporary and higher generation capacity will be needed in the near future. The objective of layup is to prevent component deterioration during the long shut down periods. This paper discusses equipment preservation practices in use by the electric utility industry and the advantages/disadvantages of various layup methods. Other issues related to plant layup and reactivation are also presented.

  16. Reactive multilayer synthesis of hard ceramic foils and films

    DOE Patents [OSTI]

    Makowiecki, Daniel M. (Livermore, CA); Holt, Joseph B. (San Jose, CA)

    1996-01-01

    A method for synthesizing hard ceramic materials such as carbides, borides nd aluminides, particularly in the form of coatings provided on another material so as to improve the wear and abrasion performance of machine tools, for example. The method involves the sputter deposition of alternating layers of reactive metals with layers of carbon, boron, or aluminum and the subsequent reaction of the multilayered structure to produce a dense crystalline ceramic. The material can be coated on a substrate or formed as a foil which can be coild as a tape for later use.

  17. Reactive Flash Volatilization of Solid, Nonvolatile Fuel - Energy

    Broader source: All U.S. Department of Energy (DOE) Office Webpages (Extended Search)

    Innovation Portal Biomass and Biofuels Biomass and Biofuels Find More Like This Return to Search Reactive Flash Volatilization of Solid, Nonvolatile Fuel DOE Grant Recipients University of Minnesota Contact University of Minnesota About This Technology <span id="Caption"><span id="ctl00_MainContentHolder_zoomimage_defaultCaption">Syngas or Synthesis Gas</span></span> Syngas or Synthesis Gas <span id="Caption"><span

  18. Method for preparing hydride configurations and reactive metal surfaces

    DOE Patents [OSTI]

    Silver, Gary L. (Centerville, OH)

    1988-08-16

    A method for preparing highly hydrogen-reactive surfaces on metals which normally require substantial heating, high pressures, or an extended induction period, which involves pretreatment of said surfaces with either a non-oxidizing acid or hydrogen gas to form a hydrogen-bearing coating on said surfaces, and subsequently heating said coated metal in the absence of moisture and oxygen for a period sufficient to decompose said coating and cooling said metal to room temperature. Surfaces so treated will react almost instantaneously with hydrogen gas at room temperature and low pressure. The method is particularly applicable to uranium, thorium, and lanthanide metals.

  19. New NIR Calibration Models Speed Biomass Composition and Reactivity Characterization

    SciTech Connect (OSTI)

    2015-09-01

    Obtaining accurate chemical composition and reactivity (measures of carbohydrate release and yield) information for biomass feedstocks in a timely manner is necessary for the commercialization of biofuels. This highlight describes NREL's work to use near-infrared (NIR) spectroscopy and partial least squares multivariate analysis to develop calibration models to predict the feedstock composition and the release and yield of soluble carbohydrates generated by a bench-scale dilute acid pretreatment and enzymatic hydrolysis assay. This highlight is being developed for the September 2015 Alliance S&T Board meeting.

  20. Transportation System Concept of Operations

    SciTech Connect (OSTI)

    N. Slater-Thompson

    2006-08-16

    The Nuclear Waste Policy Act of 1982 (NWPA), as amended, authorized the DOE to develop and manage a Federal system for the disposal of SNF and HLW. OCRWM was created to manage acceptance and disposal of SNF and HLW in a manner that protects public health, safety, and the environment; enhances national and energy security; and merits public confidence. This responsibility includes managing the transportation of SNF and HLW from origin sites to the Repository for disposal. The Transportation System Concept of Operations is the core high-level OCRWM document written to describe the Transportation System integrated design and present the vision, mission, and goals for Transportation System operations. By defining the functions, processes, and critical interfaces of this system early in the system development phase, programmatic risks are minimized, system costs are contained, and system operations are better managed, safer, and more secure. This document also facilitates discussions and understanding among parties responsible for the design, development, and operation of the Transportation System. Such understanding is important for the timely development of system requirements and identification of system interfaces. Information provided in the Transportation System Concept of Operations includes: the functions and key components of the Transportation System; system component interactions; flows of information within the system; the general operating sequences; and the internal and external factors affecting transportation operations. The Transportation System Concept of Operations reflects OCRWM's overall waste management system policies and mission objectives, and as such provides a description of the preferred state of system operation. The description of general Transportation System operating functions in the Transportation System Concept of Operations is the first step in the OCRWM systems engineering process, establishing the starting point for the lower level descriptions. of subsystems and components, and the Transportation System Requirements Document. Other program and system documents, plans, instructions, and detailed designs will be consistent with and informed by the Transportation System Concept of Operations. The Transportation System Concept of Operations is a living document, enduring throughout the OCRWM systems engineering lifecycle. It will undergo formal approval and controlled revisions as appropriate while the Transportation System matures. Revisions will take into account new policy decisions, new information available through system modeling, engineering investigations, technical analyses and tests, and the introduction of new technologies that can demonstrably improve system performance.

  1. Novel imaging techniques, integrated with mineralogical, geochemical and microbiological characterizations to determine the biogeochemical controls on technetium mobility in FRC sediments

    SciTech Connect (OSTI)

    Jonathan R. Lloyd

    2009-02-03

    The objective of this research program was to take a highly multidisciplinary approach to define the biogeochemical factors that control technetium (Tc) mobility in FRC sediments. The aim was to use batch and column studies to probe the biogeochemical conditions that control the mobility of Tc at the FRC. Background sediment samples from Area 2 (pH 6.5, low nitrate, low {sup 99}Tc) and Area 3 (pH 3.5, high nitrate, relatively high {sup 99}Tc) of the FRC were selected (http://www.esd.ornl.gov/nabirfrc). For the batch experiments, sediments were mixed with simulated groundwater, modeled on chemical constituents of FRC waters and supplemented with {sup 99}Tc(VII), both with and without added electron donor (acetate). The solubility of the Tc was monitored, alongside other biogeochemical markers (nitrate, nitrite, Fe(II), sulfate, acetate, pH, Eh) as the 'microcosms' aged. At key points, the microbial communities were also profiled using both cultivation-dependent and molecular techniques, and results correlated with the geochemical conditions in the sediments. The mineral phases present in the sediments were also characterized, and the solid phase associations of the Tc determined using sequential extraction and synchrotron techniques. In addition to the batch sediment experiments, where discrete microbial communities with the potential to reduce and precipitate {sup 99}Tc will be separated in time, we also developed column experiments where biogeochemical processes were spatially separated. Experiments were conducted both with and without amendments proposed to stimulate radionuclide immobilization (e.g. the addition of acetate as an electron donor for metal reduction), and were also planned with and without competing anions at high concentration (e.g. nitrate, with columns containing Area 3 sediments). When the columns had stabilized, as determined by chemical analysis of the effluents, we used a spike of the short-lived gamma emitter {sup 99m}Tc (50-200 MBq; half life 6 hours) and its mobility was monitored using a {gamma}-camera. Incorporation of low concentrations of the long-lived 99Tc gave a tracer that can be followed by scintillation counting, should the metastable form of the radionuclide decay to below detection limits before the end of the experiment (complete immobilization or loss of the Tc from the column). After the Tc was reduced and immobilized, or passed through the system, the columns were dismantled carefully in an anaerobic cabinet and the pore water geochemistry and mineralogy of the columns profiled. Microbial community analysis was determined, again using molecular and culture-dependent techniques. Experimental results were also modeled using an established coupled speciation and transport code, to develop a predictive tool for the mobility of Tc in FRC sediments. From this multidisciplinary approach, we hoped to obtain detailed information on the microorganisms that control the biogeochemical cycling of key elements at the FRC, and we would also be able to determine the key factors that control the mobility of Tc at environmentally relevant concentrations at this site.

  2. Santa Clara Valley Transportation Authority

    Broader source: Energy.gov [DOE]

    Santa Clara Valley Transportation Authority (VTA) is based in San Jose, California, and provides service in and around Santa Clara county. VTA provides bus and light rail service in Santa Clara County, as well as congestion mitigation, highway improvement projects, and countywide transportation planning. VTA's 423 buses serve an annual ridership of more than 39 million and cover approximately 326 square miles.

  3. Radioactive Material Transportation Practices Manual

    Broader source: Directives, Delegations, and Requirements [Office of Management (MA)]

    2008-06-04

    This Manual establishes standard transportation practices for the Department of Energy, including National Nuclear Security Administration to use in planning and executing offsite shipments of radioactive materials and waste. The revision reflects ongoing collaboration of DOE and outside organizations on the transportation of radioactive material and waste. Supersedes DOE M 460.2-1.

  4. Spatial corrections for pulsed-neutron reactivity measurements.

    SciTech Connect (OSTI)

    Cao, Y.; Lee, J.; Nuclear Engineering Division; Univ. of Michigan

    2010-07-01

    For pulsed-neutron experiments performed in a subcritical reactor, the reactivity obtained from the area-ratio method is sensitive to detector positions. The spatial effects are induced by the presence of both the prompt neutron harmonics and the delayed neutron harmonics in the reactor. The traditional kinetics distortion factor is only limited to correcting the spatial effects caused by the fundamental prompt-{alpha} mode. In this paper, we derive spatial correction factors fp and fd to account for spatial effects induced by the prompt neutron harmonics and the delayed neutron harmonics, respectively. Our numerical simulations with the FX2-TH time-dependent multigroup diffusion code indicate that the high-order prompt neutron harmonics lead to significant spatial effects and cannot be neglected in calculating the spatial correction factors. The prompt spatial correction factor fp can be simply determined by the ratio of the normalized detector responses corresponding to the fundamental k-mode and the prompt neutron flux integrated over the pulse period. Thus, it is convenient to calculate and provides physically intuitive explanations on the spatial dependence of reactivity measured in the MUSE-4 experiments: overestimation of the subcriticality in regions close to the external neutron source and underestimation of the subcriticality away from the source but within the fuel region.

  5. Hybrid nuclear reactor grey rod to obtain required reactivity worth

    DOE Patents [OSTI]

    Miller, John V. (Munhall, PA); Carlson, William R. (Scott Township, Allegheny County, PA); Yarbrough, Michael B. (Hempfield Township, Westmoreland County, PA)

    1991-01-01

    Hybrid nuclear reactor grey rods are described, wherein geometric combinations of relatively weak neutron absorber materials such as stainless steel, zirconium or INCONEL, and relatively strong neutron absorber materials, such as hafnium, silver-indium cadmium and boron carbide, are used to obtain the reactivity worths required to reach zero boron change load follow. One embodiment includes a grey rod which has combinations of weak and strong neutron absorber pellets in a stainless steel cladding. The respective pellets can be of differing heights. A second embodiment includes a grey rod with a relatively thick stainless steel cladding receiving relatively strong neutron absorber pellets only. A third embodiment includes annular relatively weak netron absorber pellets with a smaller diameter pellet of relatively strong absorber material contained within the aperture of each relatively weak absorber pellet. The fourth embodiment includes pellets made of a homogeneous alloy of hafnium and a relatively weak absorber material, with the percentage of hafnium chosen to obtain the desired reactivity worth.

  6. Career Map: Transportation Worker | Department of Energy

    Office of Energy Efficiency and Renewable Energy (EERE) Indexed Site

    Transportation Worker Career Map: Transportation Worker Transportation workers help to guide a large wind turbine component down a narrow road. Transportation Worker Position Title Transportation Worker Alternate Title(s) Railroad worker, truck driver, driver, long-haul truck driver, water transportation officer or engineer Education & Training Level Bachelor's degree generally not expected Education & Training Level Description Transportation workers' education and training requirements

  7. Coal Transportation Rate Sensitivity Analysis

    Reports and Publications (EIA)

    2005-01-01

    On December 21, 2004, the Surface Transportation Board (STB) requested that the Energy Information Administration (EIA) analyze the impact of changes in coal transportation rates on projected levels of electric power sector energy use and emissions. Specifically, the STB requested an analysis of changes in national and regional coal consumption and emissions resulting from adjustments in railroad transportation rates for Wyoming's Powder River Basin (PRB) coal using the National Energy Modeling System (NEMS). However, because NEMS operates at a relatively aggregate regional level and does not represent the costs of transporting coal over specific rail lines, this analysis reports on the impacts of interregional changes in transportation rates from those used in the Annual Energy Outlook 2005 (AEO2005) reference case.

  8. Transportation Energy Futures Analysis Snapshot

    Broader source: Energy.gov [DOE]

    Transportation currently accounts for 71% of total U.S. petroleum use and 33% of the nation's total carbon emissions. The TEF project explores how combining multiple strategies could reduce GHG emissions and petroleum use by 80%. Researchers examined four key areas – lightduty vehicles, non-light-duty vehicles, fuels, and transportation demand – in the context of the marketplace, consumer behavior, industry capabilities, technology and the energy and transportation infrastructure. The TEF reports support DOE long-term planning. The reports provide analysis to inform decisions about transportation energy research investments, as well as the role of advanced transportation energy technologies and systems in the development of new physical, strategic, and policy alternatives.

  9. Composite Materials for Hazard Mitigation of Reactive Metal Hydrides.

    SciTech Connect (OSTI)

    Pratt, Joseph William; Cordaro, Joseph Gabriel; Sartor, George B.; Dedrick, Daniel E.; Reeder, Craig L.

    2012-02-01

    In an attempt to mitigate the hazards associated with storing large quantities of reactive metal hydrides, polymer composite materials were synthesized and tested under simulated usage and accident conditions. The composites were made by polymerizing vinyl monomers using free-radical polymerization chemistry, in the presence of the metal hydride. Composites with vinyl-containing siloxane oligomers were also polymerized with and without added styrene and divinyl benzene. Hydrogen capacity measurements revealed that addition of the polymer to the metal hydride reduced the inherent hydrogen storage capacity of the material. The composites were found to be initially effective at reducing the amount of heat released during oxidation. However, upon cycling the composites, the mitigating behavior was lost. While the polymer composites we investigated have mitigating potential and are physically robust, they undergo a chemical change upon cycling that makes them subsequently ineffective at mitigating heat release upon oxidation of the metal hydride. Acknowledgements The authors would like to thank the following people who participated in this project: Ned Stetson (U.S. Department of Energy) for sponsorship and support of the project. Ken Stewart (Sandia) for building the flow-through calorimeter and cycling test stations. Isidro Ruvalcaba, Jr. (Sandia) for qualitative experiments on the interaction of sodium alanate with water. Terry Johnson (Sandia) for sharing his expertise and knowledge of metal hydrides, and sodium alanate in particular. Marcina Moreno (Sandia) for programmatic assistance. John Khalil (United Technologies Research Corp) for insight into the hazards of reactive metal hydrides and real-world accident scenario experiments. Summary In an attempt to mitigate and/or manage hazards associated with storing bulk quantities of reactive metal hydrides, polymer composite materials (a mixture of a mitigating polymer and a metal hydride) were synthesized and tested under simulated usage and accident conditions. Mitigating the hazards associated with reactive metal hydrides during an accident while finding a way to keep the original capability of the active material intact during normal use has been the focus of this work. These composites were made by polymerizing vinyl monomers using free-radical polymerization chemistry, in the presence of the metal hydride, in this case a prepared sodium alanate (chosen as a representative reactive metal hydride). It was found that the polymerization of styrene and divinyl benzene could be initiated using AIBN in toluene at 70 degC. The resulting composite materials can be either hard or brittle solids depending on the cross-linking density. Thermal decomposition of these styrene-based composite materials is lower than neat polystyrene indicating that the chemical nature of the polymer is affected by the formation of the composite. The char-forming nature of cross-linked polystyrene is low and therefore, not an ideal polymer for hazard mitigation. To obtain composite materials containing a polymer with higher char-forming potential, siloxane-based monomers were investigated. Four vinyl-containing siloxane oligomers were polymerized with and without added styrene and divinyl benzene. Like the styrene materials, these composite materials exhibited thermal decomposition behavior significantly different than the neat polymers. Specifically, the thermal decomposition temperature was shifted approximately 100 degC lower than the neat polymer signifying a major chemical change to the polymer network. Thermal analysis of the cycled samples was performed on the siloxane-based composite materials. It was found that after 30 cycles the siloxane-containing polymer composite material has similar TGA/DSC-MS traces as the virgin composite material indicating that the polymer is physically intact upon cycling. Hydrogen capacity measurements revealed that addition of the polymer to the metal hydride in the form of a composite material reduced the inherent hydrogen storage capacity of the material. This

  10. NREL: Transportation Research - A Vision for Sustainable Transportation

    Broader source: All U.S. Department of Energy (DOE) Office Webpages (Extended Search)

    A Vision for Sustainable Transportation NREL research, development, and deployment accelerates the process of bringing sustainable transportation technologies to market. Line graph illustrating three pathways to reduce transportation energy use and greenhouse gas (GHG) emissions, with "energy consumption of vehicles" along the y-axis (ranging from 0 to 2.0 kWh/km) and "carbon intensity of energy source" along the x-axis (ranging from 450 to 0 g CO2/kWh). A solid bottom line

  11. Oxygen Transport Ceramic Membranes

    SciTech Connect (OSTI)

    S. Bandopadhyay; N. Nagabhushana

    2003-08-07

    In the present quarter, experiments are presented on ceramic/metal interactions of Zirconia/ Ni-B-Si system and with a thin Ti coating deposited on zirconia surface. Existing facilities were modified for evaluation of environmental assisted slow crack growth and creep in flexural mode. Processing of perovskites of LSC, LSF and LSCF composition were continued for evaluation of mechanical properties as a function of environment. These studies in parallel to those on the LSFCO composition is expect to yield important information on questions such as the role of cation segregation and the stability of the perovskite structure on crack initiation vs. crack growth. Studies have been continued on the La{sub 1-x}Sr{sub x}FeO{sub 3-d} composition using neutron diffraction and TGA studies. A transition from p-type to n-type of conductor was observed at relative low pO{sub 2}, at which the majority carriers changed from the holes to electrons because of the valence state decreases in Fe due to the further loss of oxygen. Investigation on the thermodynamic properties of the membrane materials are continued to develop a complete model for the membrane transport. Data obtained at 850 C show that the stoichiometry in La{sub 0.2}Sr{sub 0.8}Fe{sub 0.8}Cr{sub 0.2}O{sub 3-x} vary from {approx}2.85 to 2.6 over the pressure range studied. From the stoichiometry a lower limit of 2.6 corresponding to the reduction of all Fe{sup 4+} to Fe{sup 3+} and no reduction of Cr{sup 3+} is expected.

  12. Transportation Equipment (2010 MECS) | Department of Energy

    Office of Energy Efficiency and Renewable Energy (EERE) Indexed Site

    Transportation Equipment (2010 MECS) Transportation Equipment (2010 MECS) Manufacturing Energy and Carbon Footprint for Transportation Equipment Sector (NAICS 336) Energy use data source: 2010 EIA MECS (with adjustments) Footprint Last Revised: February 2014 View footprints for other sectors here. Manufacturing Energy and Carbon Footprint PDF icon Transportation Equipment More Documents & Publications MECS 2006 - Transportation Equipment Cement (2010 MECS) Glass and Glass Products (2010

  13. MECS 2006 - Transportation Equipment | Department of Energy

    Office of Environmental Management (EM)

    Transportation Equipment MECS 2006 - Transportation Equipment Manufacturing Energy and Carbon Footprint for Transportation Equipment (NAICS 336) Sector with Total Energy Input, October 2012 (MECS 2006) All available footprints and supporting documents Manufacturing Energy and Carbon Footprint PDF icon Transportation Equipment More Documents & Publications Transportation Equipment

  14. Fate and Transport of Uranium (VI) in Weathered Saprolite

    DOE Public Access Gateway for Energy & Science Beta (PAGES Beta)

    Kim, Young-Jin; Brooks, Scott C; Zhang, Fan; Parker, Jack C.; Moon, Ji Won; Roh, Yul

    2015-01-01

    Batch and column experiments were conducted to investigate sorption and transport of uranium (U) in the presence of saprolite derived from interbedded shale, limestone, and sandstone sequences. Sorption kinetics were measured at two initial concentrations (C0; 1, 10 mM) and three soil:solution ratios (Rs/w; 0.005, 0.25, 2 kg/L) at pH 4.5 (pH of the saprolite). The rate of U loss from solution (mmole/L/h) increased with increasing Rs/w. Uranium sorption exhibited a fast phase with 80% sorption in the first eight hours for all C0 and Rs/w values and a slow phase during which the reaction slowly approached (pseudo) equilibrium overmore » the next seven days. The pH-dependency of U sorption was apparent in pH sorption edges. U(VI) sorption increased over the pH range 4e6, then decreased sharply at pH > 7.5. U(VI) sorption edges were well described by a surface complexation model using calibrated parameters and the reaction network proposed by Waite et al. (1994). Sorption isotherms measured using the same Rs/w and pH values showed a solids concentration effect where U(VI) sorption capacity and affinity decreased with increasing solids concentration. This effect may have been due to either particle aggregation or competition between U(VI) and exchangeable cations for sorption sites. The surface complexation model with calibrated parameters was able to predict the general sorption behavior relatively well, but failed to reproduce solid concentration effects, implying the importance of appropriate design if batch experiments are to be utilized for dynamic systems. Transport of U(VI) through the packed column was significantly retarded. Transport simulations were conducted using the reactive transport model HydroGeoChem (HGC) v5.0 that incorporated the surface complexation reaction network used to model the batch data. Model parameters reported by Waite et al. (1994) provided a better prediction of U transport than optimized parameters derived from our sorption edges. The results presented in this study highlight the challenges in defining appropriate conditions for batch-type experiments used to extrapolate parameters for transport models, and also underline a gap in our ability to transfer batch results to transport simulations.« less

  15. Fate and Transport of Uranium (VI) in Weathered Saprolite

    SciTech Connect (OSTI)

    Kim, Young-Jin; Brooks, Scott C; Zhang, Fan; Parker, Jack C.; Moon, Ji Won; Roh, Yul

    2015-01-01

    Batch and column experiments were conducted to investigate sorption and transport of uranium (U) in the presence of saprolite derived from interbedded shale, limestone, and sandstone sequences. Sorption kinetics were measured at two initial concentrations (C0; 1, 10 mM) and three soil:solution ratios (Rs/w; 0.005, 0.25, 2 kg/L) at pH 4.5 (pH of the saprolite). The rate of U loss from solution (mmole/L/h) increased with increasing Rs/w. Uranium sorption exhibited a fast phase with 80% sorption in the first eight hours for all C0 and Rs/w values and a slow phase during which the reaction slowly approached (pseudo) equilibrium over the next seven days. The pH-dependency of U sorption was apparent in pH sorption edges. U(VI) sorption increased over the pH range 4e6, then decreased sharply at pH > 7.5. U(VI) sorption edges were well described by a surface complexation model using calibrated parameters and the reaction network proposed by Waite et al. (1994). Sorption isotherms measured using the same Rs/w and pH values showed a solids concentration effect where U(VI) sorption capacity and affinity decreased with increasing solids concentration. This effect may have been due to either particle aggregation or competition between U(VI) and exchangeable cations for sorption sites. The surface complexation model with calibrated parameters was able to predict the general sorption behavior relatively well, but failed to reproduce solid concentration effects, implying the importance of appropriate design if batch experiments are to be utilized for dynamic systems. Transport of U(VI) through the packed column was significantly retarded. Transport simulations were conducted using the reactive transport model HydroGeoChem (HGC) v5.0 that incorporated the surface complexation reaction network used to model the batch data. Model parameters reported by Waite et al. (1994) provided a better prediction of U transport than optimized parameters derived from our sorption edges. The results presented in this study highlight the challenges in defining appropriate conditions for batch-type experiments used to extrapolate parameters for transport models, and also underline a gap in our ability to transfer batch results to transport simulations.

  16. Tritium Gas Stream Scrubbing using In-situ Reactive Materials | Department

    Office of Environmental Management (EM)

    of Energy Stream Scrubbing using In-situ Reactive Materials Tritium Gas Stream Scrubbing using In-situ Reactive Materials Presentation from the 36th Tritium Focus Group Meeting held in Los Alamos, New Mexico, November 3-5, 2015. PDF icon Tritium Gas Stream Scrubbing using In-situ Reactive Materials More Documents & Publications Effect of Various Impurities on the Hydrogen Absorption on SAES ST198 AVTA: Oil Bypass Filter Specifications and Test Procedures Vehicle Technologies Office Merit

  17. Surprising differences in the reactivity of cyanoaromatic radical anions generated by photoinduced electron transfer

    SciTech Connect (OSTI)

    Kellett, M.A.; Whitten, D.G. ); Gould, I.R. ); Bergmark, W.R. )

    1991-01-02

    In this paper, the authors report some studies that indicate that the reactivity of photogenerated cyanoaromatic anion radicals is strongly affected by the medium in which they are generated; interestingly they report conditions under which potentially reactive anion radicals of strongly affected by the medium in which they are generated; interestingly they report conditions under which potentially reactive anion radicals of DCA and 2,6,9,10-tetracyanoanthracene (TCA) can be the stable end products of photoinduced redox reactions.

  18. Impact of EGR on Soot Nanostructure and Reactivity | Department of Energy

    Office of Energy Efficiency and Renewable Energy (EERE) Indexed Site

    EGR on Soot Nanostructure and Reactivity Impact of EGR on Soot Nanostructure and Reactivity Presentation given at the 2007 Diesel Engine-Efficiency & Emissions Research Conference (DEER 2007). 13-16 August, 2007, Detroit, Michigan. Sponsored by the U.S. Department of Energy's (DOE) Office of FreedomCAR and Vehicle Technologies (OFCVT). PDF icon deer07_boehman.pdf More Documents & Publications Fuel Impacts on Soot Nanostructure and Reactivity Effect of Alternative Fuels on Soot Properties

  19. Performance of a Permeable Reactive Barrier Using Granular Zero-Valent

    Energy Savers [EERE]

    Iron: FY 2004 Annual Report Durango, Colorado, Disposal Site | Department of Energy of a Permeable Reactive Barrier Using Granular Zero-Valent Iron: FY 2004 Annual Report Durango, Colorado, Disposal Site Performance of a Permeable Reactive Barrier Using Granular Zero-Valent Iron: FY 2004 Annual Report Durango, Colorado, Disposal Site Performance of a Permeable Reactive Barrier Using Granular Zero-Valent Iron: FY 2004 Annual Report Durango, Colorado, Disposal Site PDF icon Performance of a

  20. Accelerating Subsurface Transport Simulation on Heterogeneous Clusters

    SciTech Connect (OSTI)

    Villa, Oreste; Gawande, Nitin A.; Tumeo, Antonino

    2013-09-23

    Reactive transport numerical models simulate chemical and microbiological reactions that occur along a flowpath. These models have to compute reactions for a large number of locations. They solve the set of ordinary differential equations (ODEs) that describes the reaction for each location through the Newton-Raphson technique. This technique involves computing a Jacobian matrix and a residual vector for each set of equation, and then solving iteratively the linearized system by performing Gaussian Elimination and LU decomposition until convergence. STOMP, a well known subsurface flow simulation tool, employs matrices with sizes in the order of 100x100 elements and, for numerical accuracy, LU factorization with full pivoting instead of the faster partial pivoting. Modern high performance computing systems are heterogeneous machines whose nodes integrate both CPUs and GPUs, exposing unprecedented amounts of parallelism. To exploit all their computational power, applications must use both the types of processing elements. For the case of subsurface flow simulation, this mainly requires implementing efficient batched LU-based solvers and identifying efficient solutions for enabling load balancing among the different processors of the system. In this paper we discuss two approaches that allows scaling STOMP's performance on heterogeneous clusters. We initially identify the challenges in implementing batched LU-based solvers for small matrices on GPUs, and propose an implementation that fulfills STOMP's requirements. We compare this implementation to other existing solutions. Then, we combine the batched GPU solver with an OpenMP-based CPU solver, and present an adaptive load balancer that dynamically distributes the linear systems to solve between the two components inside a node. We show how these approaches, integrated into the full application, provide speed ups from 6 to 7 times on large problems, executed on up to 16 nodes of a cluster with two AMD Opteron 6272 and a Tesla M2090 per node.

  1. Interim UFD Storage and Transportation - Transportation Working Group Report

    SciTech Connect (OSTI)

    Maheras, Steven J.; Ross, Steven B.

    2011-03-30

    The Used Fuel Disposition (UFD) Transportation Task commenced in October 2010. As its first task, Pacific Northwest National Laboratory (PNNL) compiled a draft list of structures, systems, and components (SSCs) of transportation systems and their possible degradation mechanisms during very long term storage (VLTS). The list of SSCs and the associated degradation mechanisms [known as features, events, and processes (FEPs)] were based on the list of SSCs and degradation mechanisms developed by the UFD Storage Task (Stockman et al. 2010)

  2. UFD Storage and Transportation - Transportation Working Group Report

    SciTech Connect (OSTI)

    Maheras, Steven J.; Ross, Steven B.

    2011-08-01

    The Used Fuel Disposition (UFD) Transportation Task commenced in October 2010. As its first task, Pacific Northwest National Laboratory (PNNL) compiled a list of structures, systems, and components (SSCs) of transportation systems and their possible degradation mechanisms during extended storage. The list of SSCs and the associated degradation mechanisms [known as features, events, and processes (FEPs)] were based on the list of used nuclear fuel (UNF) storage system SSCs and degradation mechanisms developed by the UFD Storage Task (Hanson et al. 2011). Other sources of information surveyed to develop the list of SSCs and their degradation mechanisms included references such as Evaluation of the Technical Basis for Extended Dry Storage and Transportation of Used Nuclear Fuel (NWTRB 2010), Transportation, Aging and Disposal Canister System Performance Specification, Revision 1 (OCRWM 2008), Data Needs for Long-Term Storage of LWR Fuel (EPRI 1998), Technical Bases for Extended Dry Storage of Spent Nuclear Fuel (EPRI 2002), Used Fuel and High-Level Radioactive Waste Extended Storage Collaboration Program (EPRI 2010a), Industry Spent Fuel Storage Handbook (EPRI 2010b), and Transportation of Commercial Spent Nuclear Fuel, Issues Resolution (EPRI 2010c). SSCs include items such as the fuel, cladding, fuel baskets, neutron poisons, metal canisters, etc. Potential degradation mechanisms (FEPs) included mechanical, thermal, radiation and chemical stressors, such as fuel fragmentation, embrittlement of cladding by hydrogen, oxidation of cladding, metal fatigue, corrosion, etc. These degradation mechanisms are discussed in Section 2 of this report. The degradation mechanisms have been evaluated to determine if they would be influenced by extended storage or high burnup, the need for additional data, and their importance to transportation. These categories were used to identify the most significant transportation degradation mechanisms. As expected, for the most part, the transportation importance was mirrored by the importance assigned by the UFD Storage Task. A few of the more significant differences are described in Section 3 of this report

  3. Quantum transport through aromatic molecules

    SciTech Connect (OSTI)

    Ojeda, J. H.; Rey-Gonzlez, R. R.; Laroze, D.

    2013-12-07

    In this paper, we study the electronic transport properties through aromatic molecules connected to two semi-infinite leads. The molecules are in different geometrical configurations including arrays. Using a nearest neighbor tight-binding approach, the transport properties are analyzed into a Green's function technique within a real-space renormalization scheme. We calculate the transmission probability and the Current-Voltage characteristics as a function of a molecule-leads coupling parameter. Our results show different transport regimes for these systems, exhibiting metal-semiconductor-insulator transitions and the possibility to employ them in molecular devices.

  4. Geochemical information for sites contaminated with low-level radioactive wastes: II. St. Louis Airport Storage Site

    SciTech Connect (OSTI)

    Seeley, F.G.; Kelmers, A.D.

    1985-01-01

    The St. Louis Airport Storage Site (SLASS) became radioactively contaminated as a result of wastes that were being stored from operations to recover uranium from pitchblende ores in the 1940s and 1950s. The US Department of Energy is considering various remedial action options for the SLASS under the Formerly Utilized Site Remedial Action Program (FUSRAP). This report describes the results of geochemical investigations, carried out to support the FUSRAP activities and to aid in quantifying various remedial action options. Soil and groundwater samples from the site were characterized, and sorption ratios for uranium and radium and apparent concentration limit values for uranium were measured in soil/groundwater systems by batch contact methodology. The uranium and radium concentrations in soil samples were significantly above background near the old contaminated surface horizon (now at the 0.3/sup -/ to 0.9/sup -/m depth); the maximum values were 1566 ..mu..g/g and 101 pCi/g, respectively. Below about the 6/sup -/m depth, the concentrations appeared to be typical of those naturally present in soils of this area (3.8 +- 1.2 ..mu..g/g and 3.1 +- 0.6 pCi/g). Uranium sorption ratios showed stratigraphic trends but were generally moderate to high (100 to 1000 L/kg). The sorption isotherm suggested an apparent uranium concentration limit of about 200 mg/L. This relatively high solubility can probably be correlated with the carbonate content of the soil/groundwater systems. The lower sorption ratio values obtained from the sorption isotherm may have resulted from changes in the experimental procedure or the groundwater used. The SLASS appears to exhibit generally favorable behavior for the retardation of uranium solubilized from waste in the site. Parametric tests were conducted to estimate the sensitivity of uranium sorption and solubility to the pH and carbonate content of the system.

  5. CORE-BASED INTEGRATED SEDIMENTOLOGIC, STRATIGRAPHIC, AND GEOCHEMICAL ANALYSIS OF THE OIL SHALE BEARING GREEN RIVER FORMATION, UINTA BASIN, UTAH

    SciTech Connect (OSTI)

    Lauren P. Birgenheier; Michael D. Vanden Berg,

    2011-04-11

    An integrated detailed sedimentologic, stratigraphic, and geochemical study of Utah's Green River Formation has found that Lake Uinta evolved in three phases (1) a freshwater rising lake phase below the Mahogany zone, (2) an anoxic deep lake phase above the base of the Mahogany zone and (3) a hypersaline lake phase within the middle and upper R-8. This long term lake evolution was driven by tectonic basin development and the balance of sediment and water fill with the neighboring basins, as postulated by models developed from the Greater Green River Basin by Carroll and Bohacs (1999). Early Eocene abrupt global-warming events may have had significant control on deposition through the amount of sediment production and deposition rates, such that lean zones below the Mahogany zone record hyperthermal events and rich zones record periods between hyperthermals. This type of climatic control on short-term and long-term lake evolution and deposition has been previously overlooked. This geologic history contains key points relevant to oil shale development and engineering design including: (1) Stratigraphic changes in oil shale quality and composition are systematic and can be related to spatial and temporal changes in the depositional environment and basin dynamics. (2) The inorganic mineral matrix of oil shale units changes significantly from clay mineral/dolomite dominated to calcite above the base of the Mahogany zone. This variation may result in significant differences in pyrolysis products and geomechanical properties relevant to development and should be incorporated into engineering experiments. (3) This study includes a region in the Uinta Basin that would be highly prospective for application of in-situ production techniques. Stratigraphic targets for in-situ recovery techniques should extend above and below the Mahogany zone and include the upper R-6 and lower R-8.

  6. Isotopic and geochemical tracers for U(VI) reduction and U mobility at an in situ recovery U mine

    DOE Public Access Gateway for Energy & Science Beta (PAGES Beta)

    Basu, Anirban; Brown, Shaun T.; Christensen, John N.; DePaolo, Donald J.; Reimus, Paul W.; Heikoop, Jeffrey M.; Woldegabriel, Giday; Simmons, Ardyth M.; House, Brian M.; Hartmann, Matt; et al

    2015-05-19

    In situ recovery (ISR) uranium (U) mining mobilizes U in its oxidized hexavalent form (U(VI)) by oxidative dissolution of U from the roll-front U deposits. Post-mining natural attenuation of residual U(VI) at ISR mines is a potential remediation strategy. Detection and monitoring of naturally occurring reducing subsurface environments are important for successful implementation of this remediation scheme. We used the isotopic tracers ²³⁸U/²³⁵U (δ²³⁸U), ²³⁴U/²³⁸U activity ratio, and ³⁴S/³²S (δ³⁴S), and geochemical measurements of U ore and groundwater collected from 32 wells located within, upgradient, and downgradient of a roll-front U deposit to detect U(VI) reduction and U mobility atmore » an ISR mining site at Rosita, TX, USA. The δ²³⁸U in Rosita groundwater varies from 0.61‰ to -2.49‰, with a trend toward lower δ²³⁸U in downgradient wells. The concurrent decrease in U(VI) concentration and δ²³⁸U with an ε of 0.48‰ ± 0.08‰ is indicative of naturally occurring reducing environments conducive to U(VI) reduction. Additionally, characteristic ²³⁴U/²³⁸U activity ratio and δ³⁴S values may also be used to trace the mobility of the ore zone groundwater after mining has ended. These results support the use of U isotope-based detection of natural attenuation of U(VI) at Rosita and other similar ISR mining sites.« less

  7. Uranium Transport Modeling

    SciTech Connect (OSTI)

    Bostick, William D.

    2008-01-15

    Uranium contamination is prevalent at many of the U.S. DOE facilities and at several civilian sites that have supported the nuclear fuel cycle. The potential off-site mobility of uranium depends on the partitioning of uranium between aqueous and solid (soil and sediment) phases. Hexavalent U (as uranyl, UO{sub 2}{sup 2+}) is relatively mobile, forming strong complexes with ubiquitous carbonate ion which renders it appreciably soluble even under mild reducing conditions. In the presence of carbonate, partition of uranyl to ferri-hydrate and select other mineral phases is usually maximum in the near-neutral pH range {approx} 5-8. The surface complexation reaction of uranyl with iron-containing minerals has been used as one means to model subsurface migration, used in conjunction with information on the site water chemistry and hydrology. Partitioning of uranium is often studied by short-term batch 'equilibrium' or long-term soil column testing ; MCLinc has performed both of these methodologies, with selection of method depending upon the requirements of the client or regulatory authority. Speciation of uranium in soil may be determined directly by instrumental techniques (e.g., x-ray photoelectron spectroscopy, XPS; x-ray diffraction, XRD; etc.) or by inference drawn from operational estimates. Often, the technique of choice for evaluating low-level radionuclide partitioning in soils and sediments is the sequential extraction approach. This methodology applies operationally-defined chemical treatments to selectively dissolve specific classes of macro-scale soil or sediment components. These methods recognize that total soil metal inventory is of limited use in understanding bioavailability or metal mobility, and that it is useful to estimate the amount of metal present in different solid-phase forms. Despite some drawbacks, the sequential extraction method can provide a valuable tool to distinguish among trace element fractions of different solubility related to mineral phases. Four case studies are presented: Water and Soil Characterization, Subsurface Stabilization of Uranium and other Toxic Metals, Reductive Precipitation (in situ bioremediation) of Uranium, and Physical Transport of Particle-bound Uranium by Erosion.

  8. Method of measuring reactive acoustic power density in a fluid

    DOE Patents [OSTI]

    Wheatley, J.C.; Swift, G.W.; Migliori, A.

    1985-09-03

    A method for determining reactive acoustic power density level and its direction in a fluid using a single sensor is disclosed. In the preferred embodiment, an apparatus for conducting the method, which is termed a thermoacoustic couple, consists of a stack of thin, spaced apart polymeric plates, selected ones of which include multiple bimetallic thermocouple junctions positioned along opposite end edges thereof. The thermocouple junctions are connected in series in the nature of a thermopile, and are arranged so as to be responsive to small temperature differences between the opposite edges of the plates. The magnitude of the temperature difference, as represented by the magnitude of the electrical potential difference generated by the thermopile, is found to be directly related to the level of acoustic power density in the gas. 5 figs.

  9. Method of measuring reactive acoustic power density in a fluid

    DOE Patents [OSTI]

    Wheatley, John C.; Swift, Gregory W.; Migliori, Albert

    1985-01-01

    A method for determining reactive acoustic power density level and its direction in a fluid using a single sensor is disclosed. In the preferred embodiment, an apparatus for conducting the method, which is termed a thermoacoustic couple, consists of a stack of thin, spaced apart polymeric plates, selected ones of which include multiple bimetallic thermocouple junctions positioned along opposite end edges thereof. The thermocouple junctions are connected in series in the nature of a thermopile, and are arranged so as to be responsive to small temperature differences between the opposite edges of the plates. The magnitude of the temperature difference, as represented by the magnitude of the electrical potential difference generated by the thermopile, is found to be directly related to the level of acoustic power density in the gas.

  10. Transparent electrical conducting films by activated reactive evaporation

    DOE Patents [OSTI]

    Bunshah, Rointan (Los Angeles, CA); Nath, Prem (Troy, MI)

    1982-01-01

    Process and apparatus for producing transparent electrical conducting thin films by activated reactive evaporation. Thin films of low melting point metals and alloys, such as indium oxide and indium oxide doped with tin, are produced by physical vapor deposition. The metal or alloy is vaporized by electrical resistance heating in a vacuum chamber, oxygen and an inert gas such as argon are introduced into the chamber, and vapor and gas are ionized by a beam of low energy electrons in a reaction zone between the resistance heater and the substrate. There is a reaction between the ionized oxygen and the metal vapor resulting in the metal oxide which deposits on the substrate as a thin film which is ready for use without requiring post deposition heat treatment.

  11. Anode reactive bleed and injector shift control strategy

    DOE Patents [OSTI]

    Cai, Jun [Rochester, NY; Chowdhury, Akbar [Pittsford, NY; Lerner, Seth E [Honeoye Falls, NY; Marley, William S [Rush, NY; Savage, David R [Rochester, NY; Leary, James K [Rochester, NY

    2012-01-03

    A system and method for correcting a large fuel cell voltage spread for a split sub-stack fuel cell system. The system includes a hydrogen source that provides hydrogen to each split sub-stack and bleed valves for bleeding the anode side of the sub-stacks. The system also includes a voltage measuring device for measuring the voltage of each cell in the split sub-stacks. The system provides two levels for correcting a large stack voltage spread problem. The first level includes sending fresh hydrogen to the weak sub-stack well before a normal reactive bleed would occur, and the second level includes sending fresh hydrogen to the weak sub-stack and opening the bleed valve of the other sub-stack when the cell voltage spread is close to stack failure.

  12. Properties of reactive oxygen species by quantum Monte Carlo

    SciTech Connect (OSTI)

    Zen, Andrea; Trout, Bernhardt L.; Guidoni, Leonardo

    2014-07-07

    The electronic properties of the oxygen molecule, in its singlet and triplet states, and of many small oxygen-containing radicals and anions have important roles in different fields of chemistry, biology, and atmospheric science. Nevertheless, the electronic structure of such species is a challenge for ab initio computational approaches because of the difficulties to correctly describe the statical and dynamical correlation effects in presence of one or more unpaired electrons. Only the highest-level quantum chemical approaches can yield reliable characterizations of their molecular properties, such as binding energies, equilibrium structures, molecular vibrations, charge distribution, and polarizabilities. In this work we use the variational Monte Carlo (VMC) and the lattice regularized Monte Carlo (LRDMC) methods to investigate the equilibrium geometries and molecular properties of oxygen and oxygen reactive species. Quantum Monte Carlo methods are used in combination with the Jastrow Antisymmetrized Geminal Power (JAGP) wave function ansatz, which has been recently shown to effectively describe the statical and dynamical correlation of different molecular systems. In particular, we have studied the oxygen molecule, the superoxide anion, the nitric oxide radical and anion, the hydroxyl and hydroperoxyl radicals and their corresponding anions, and the hydrotrioxyl radical. Overall, the methodology was able to correctly describe the geometrical and electronic properties of these systems, through compact but fully-optimised basis sets and with a computational cost which scales as N{sup 3} ? N{sup 4}, where N is the number of electrons. This work is therefore opening the way to the accurate study of the energetics and of the reactivity of large and complex oxygen species by first principles.

  13. Midwestern Radioactive Materials Transportation Committee Agenda |

    Office of Environmental Management (EM)

    Department of Energy Midwestern Radioactive Materials Transportation Committee Agenda Midwestern Radioactive Materials Transportation Committee Agenda PDF icon Midwestern Radioactive Materials Transportation Committee Agenda More Documents & Publications NTSF Spring 2012 Agenda NTSF Spring 2011 Agenda NTSF 2013 Agenda

  14. co2-transport | netl.doe.gov

    Broader source: All U.S. Department of Energy (DOE) Office Webpages (Extended Search)

    Transport Cost Model FENETL CO2 Transport Cost Model About the model: This model was developed to estimate the cost of transporting a user-specified mass rate of CO2 by pipeline...

  15. Transportation Sector Module - NEMS Documentation

    Reports and Publications (EIA)

    2014-01-01

    Documents the objectives, analytical approach and development of the National Energy Modeling System (NEMS) Transportation Model (TRAN). The report catalogues and describes the model assumptions, computational methodology, parameter estimation techniques, model source code, and forecast results generated by the model.

  16. National Transportation Stakeholders Forum (NTSF)

    Broader source: Energy.gov [DOE]

    The U.S. Department of Energy (DOE) National Transportation Stakeholders Forum (NTSF) is the mechanism through which DOE communicates at a national level with states and tribes about the Department...

  17. Electron transfer activation of a second water channel for proton transport in [FeFe]-hydrogenase

    SciTech Connect (OSTI)

    Sode, Olaseni; Voth, Gregory A.

    2014-12-14

    Hydrogenase enzymes are important because they can reversibly catalyze the production of molecular hydrogen. Proton transport mechanisms have been previously studied in residue pathways that lead to the active site of the enzyme via residues Cys299 and Ser319. The importance of this pathway and these residues has been previously exhibited through site-specific mutations, which were shown to interrupt the enzyme activity. It has been shown recently that a separate water channel (WC2) is coupled with electron transport to the active site of the [FeFe]-hydrogenase. The water-mediated proton transport mechanisms of the enzyme in different electronic states have been studied using the multistate empirical valence bond reactive molecular dynamics method, in order to understand any role WC2 may have in facilitating the residue pathway in bringing an additional proton to the enzyme active site. In a single electronic state A{sup 2?}, a water wire was formed through which protons can be transported with a low free energy barrier. The remaining electronic states were shown, however, to be highly unfavorable to proton transport in WC2. A double amino acid substitution is predicted to obstruct proton transport in electronic state A{sup 2-} by closing a cavity that could otherwise fill with water near the proximal Fe of the active site.

  18. Lessons learned from bacterial transport research at the South Oyster Site

    SciTech Connect (OSTI)

    Scheibe, T.; Hubbard, S.S.; Onstott, T.C.; DeFlaun, M.F.

    2011-04-01

    This paper provides a review of bacterial transport experiments conducted by a multi-investigator, multi-institution, multi-disciplinary team of researchers under the auspices of the U. S. Department of Energy (DOE). The experiments were conducted during the time period 1999-2001 at a field site near the town of Oyster, Virginia known as the South Oyster Site, and included four major experimental campaigns aimed at understanding and quantifying bacterial transport in the subsurface environment. Several key elements of the research are discussed here: (1) quantification of bacterial transport in physically, chemically and biologically heterogeneous aquifers, (2) evaluation of the efficacy of conventional colloid filtration theory, (3) scale effects in bacterial transport, (4) development of new methods for microbial enumeration and screening for low adhesion strains, (5) application of novel hydrogeophysical techniques for aquifer characterization, and (6) experiences regarding management of a large field research effort. Lessons learned are summarized in each of these areas. The body of literature resulting from South Oyster Site research has been widely cited and continues to influence research into the controls exerted by aquifer heterogeneity on reactive transport (including microbial transport). It also served as a model (and provided valuable experience) for subsequent and ongoing highly-instrumented field research efforts conducted by DOE-sponsored investigators.

  19. transportation-systems-modeling-training

    Broader source: All U.S. Department of Energy (DOE) Office Webpages (Extended Search)

    Training Table of Contents Date Location Integrated Transportation Models Workshop at ITM 2012 April 29, 2012 Hyatt Regency Tampa, FL TRANSIMS Training Course April 14-15, 2011 James E. Clyburn University Transportation Center Orangeburg, SC TRANSIMS RTSTEP Guest Lecturer March 29, 2011 Argonne TRACC Argonne, IL TRANSIMS Training Course January 19-21 2011 Argonne TRACC Argonne, IL TRANSIMS Training Course September 7-8, 2010 Turner Fairbank Highway Research Center Washington D.C. Network

  20. NREL: Transportation Research Home Page

    Broader source: All U.S. Department of Energy (DOE) Office Webpages (Extended Search)

    Transportation Research Silver Toyota Prius being driven in front of NREL entrance sign. NREL helps industry partners develop the next generation of energy efficient, high performance vehicles and fuels. Thermal image of two men standing in front of tractor trailer cab. NREL conducts research on the full range of vehicle types, from light-duty passenger cars to heavy-duty freight trucks. Female researcher holding coin cell battery. NREL's transportation research spans from the materials to the