National Library of Energy BETA

Sample records for multiphase reactive geochemical

  1. 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.

  2. 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.

  3. 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.

  4. 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.

  5. 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

  6. REACTIVE MULTIPHASE BEHAVIOR OF CO2 IN SALINE AQUIFERS BENEATH THE COLORADO PLATEAU

    SciTech Connect (OSTI)

    R.G. Allis; J. Moore; S. White

    2003-01-30

    Gas reservoirs developed within the Colorado Plateau and Southern Rocky Mountains region are natural laboratories for studying the factors that promote long-term storage of CO{sub 2}. They also provide sites for storing additional CO{sub 2} if it can be separated from the flue gases of coal-fired power plants in this part of the U.S.A. These natural reservoirs are developed primarily in sandstones and dolomites; shales, mudstones and anhydrite form seals. In many fields, stacked reservoirs are present, indicating that the gas has migrated up through the section. There are also geologically young travertine deposits at the surface, and CO{sub 2}-charged groundwater and springs in the vicinity of known CO{sub 2} occurrences. These near-surface geological and hydrological features also provide examples of the environmental effects of leakage of CO{sub 2} from reservoirs, and justify further study. During reporting period covered here (the first quarter of Year 3 of the project, i.e. October 1-December 31, 2002), the main achievements were: (1) Planning workshop for project participants as well as other Utah researchers involved in CO{sub 2} projects (22 October, 2002), and Utah Geological Survey, Salt Lake City; (2) Presentation of paper to special CO{sub 2} sequestration session at the Geological Society of America Annual Meeting, Denver, 29 October, 2002; (3) Presentation of paper to special CO{sub 2} sequestration session at the Fall Meeting of American Geophysical Union, San Francisco, 10 December, 2002; (4) Identification of dawsonite (sodium-aluminum carbonate) as a late stage mineral deposited in CO{sub 2} feedzone at Springerville, Arizona; (5) Successful matching of known physical constraints to flow beneath the Hunter cross section being used to simulate the effects of CO{sub 2} injection. In about 1000 years, most injected CO{sub 2} may be lost to the surface from the three shallowest reservoirs considered, assuming no reactive processes; and (6) Inclusion

  7. Blind Geothermal System Exploration in Active Volcanic Environments; Multi-phase Geophysical and Geochemical Surveys in Overt & Subtle Volcanic Systems, Hawaii & Maui

    Broader source: Energy.gov [DOE]

    DOE Geothermal Technologies Peer Review 2010 - Presentation. Project Objective: To use a combination of traditional geophysical and geochemical tools with exploration suites not typically used in geothermal exploration.

  8. Blind Geothermal System Exploration in Active Volcanic Environments; Multi-phase Geophysical and Geochemical Surveys in Overt and Subtle Volcanic Systems, Hawai’i and Maui

    SciTech Connect (OSTI)

    Fercho, Steven; Owens, Lara; Walsh, Patrick; Drakos, Peter; Martini, Brigette; Lewicki, Jennifer L.; Kennedy, Burton M.

    2015-08-01

    Suites of new geophysical and geochemical exploration surveys were conducted to provide evidence for geothermal resource at the Haleakala Southwest Rift Zone (HSWRZ) on Maui Island, Hawai’i. Ground-based gravity (~400 stations) coupled with heli-bourne magnetics (~1500 line kilometers) define both deep and shallow fractures/faults, while also delineating potentially widespread subsurface hydrothermal alteration on the lower flanks (below approximately 1800 feet a.s.l.). Multi-level, upward continuation calculations and 2-D gravity and magnetic modeling provide information on source depths, but lack of lithologic information leaves ambiguity in the estimates. Additionally, several well-defined gravity lows (possibly vent zones) lie coincident with magnetic highs suggesting the presence of dike intrusions at depth which may represent a potentially young source of heat. Soil CO2 fluxes were measured along transects across geophysically-defined faults and fractures as well as young cinder cones along the HSWRZ. This survey generally did not detect CO2 levels above background, with the exception of a weak anomalous flux signal over one young cinder cone. The general lack of observed CO2 flux signals on the HSWRZ is likely due to a combination of lower magmatic CO2 fluxes and relatively high biogenic surface CO2 fluxes which mix with the magmatic signal. Similar surveys at the Puna geothermal field on the Kilauea Lower East Rift Zone (KLERZ) also showed a lack of surface CO2 flux signals, however aqueous geochemistry indicated contribution of magmatic CO2 and He to shallow groundwater here. As magma has been intercepted in geothermal drilling at the Puna field, the lack of measured surface CO2 flux indicative of upflow of magmatic fluids here is likely due to effective “scrubbing” by high groundwater and a mature hydrothermal system. Dissolved inorganic carbon (DIC) concentrations, δ13C compositions and 3He/4He values were sampled at Maui from several shallow

  9. Multiphase flow calculation software

    DOE Patents [OSTI]

    Fincke, James R.

    2003-04-15

    Multiphase flow calculation software and computer-readable media carrying computer executable instructions for calculating liquid and gas phase mass flow rates of high void fraction multiphase flows. The multiphase flow calculation software employs various given, or experimentally determined, parameters in conjunction with a plurality of pressure differentials of a multiphase flow, preferably supplied by a differential pressure flowmeter or the like, to determine liquid and gas phase mass flow rates of the high void fraction multiphase flows. Embodiments of the multiphase flow calculation software are suitable for use in a variety of applications, including real-time management and control of an object system.

  10. 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.

  11. Gullfaks multiphase booster project

    SciTech Connect (OSTI)

    Vangen, G.; Carstensen, C.; Bakken, L.E.

    1995-12-31

    A Poseidon Multiphase Pump has been Installed and is presently running on Statoil`s Gullfaks A platform in the North Sea, giving additional pressure to one of the wells. The main objective of this work has been to qualify the Poseidon Booster Technology, technically and operationally, and to provide a reliable and industrialized tool for multiphase boosting, either sub sea or installed topside a platform. The paper gives a brief summary of the project and describes the Poseidon pump, the platform installation and outlines the experience and results from the ongoing qualification test. The Gullfaks booster, as delivered by Framo Engineering AS, has up to January 1995 accumulated 2,400 running hours. The booster is fully integrated into the production systems on the platform. The daily operations are carried out from the central control room by the ordinary platform staff. The objectives of the test program have so far been successfully fulfilled. Multiphase booster technology combined with progress in multiphase flow technology will have a significant impact on development and production of smaller oil and gas fields that today are assumed to be non-profitable.

  12. Multiphase fluid characterization system

    DOE Patents [OSTI]

    Sinha, Dipen N.

    2014-09-02

    A measurement system and method for permitting multiple independent measurements of several physical parameters of multiphase fluids flowing through pipes are described. Multiple acoustic transducers are placed in acoustic communication with or attached to the outside surface of a section of existing spool (metal pipe), typically less than 3 feet in length, for noninvasive measurements. Sound speed, sound attenuation, fluid density, fluid flow, container wall resonance characteristics, and Doppler measurements for gas volume fraction may be measured simultaneously by the system. Temperature measurements are made using a temperature sensor for oil-cut correction.

  13. 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

  14. HBH-GEOCHEM-GEOPHY

    Energy Science and Technology Software Center (OSTI)

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

  15. April 2013 Most Viewed Documents for Geosciences | OSTI, US Dept...

    Office of Scientific and Technical Information (OSTI)

    Multiphase Reactive geochemical Transport in Variable Saturated Geologic Media Xu, Tianfu; Sonnenthal, Eric; Spycher, Nicolas; Pruess, Karsten (2004) 39 Calculation ...

  16. Thermodynamic Data for Geochemical Modeling of Carbonate Reactions Associated with CO2 Sequestration – Literature Review

    SciTech Connect (OSTI)

    Krupka, Kenneth M.; Cantrell, Kirk J.; McGrail, B. Peter

    2010-09-28

    Permanent storage of anthropogenic CO2 in deep geologic formations is being considered as a means to reduce the concentration of atmospheric CO2 and thus its contribution to global climate change. To ensure safe and effective geologic sequestration, numerous studies have been completed of the extent to which the CO2 migrates within geologic formations and what physical and geochemical changes occur in these formations when CO2 is injected. Sophisticated, computerized reservoir simulations are used as part of field site and laboratory CO2 sequestration studies. These simulations use coupled multiphase flow-reactive chemical transport models and/or standalone (i.e., no coupled fluid transport) geochemical models to calculate gas solubility, aqueous complexation, reduction/oxidation (redox), and/or mineral solubility reactions related to CO2 injection and sequestration. Thermodynamic data are critical inputs to modeling geochemical processes. The adequacy of thermodynamic data for carbonate compounds has been identified as an important data requirement for the successful application of these geochemical reaction models to CO2 sequestration. A review of thermodynamic data for CO2 gas and carbonate aqueous species and minerals present in published data compilations and databases used in geochemical reaction models was therefore completed. Published studies that describe mineralogical analyses from CO2 sequestration field and natural analogue sites and laboratory studies were also reviewed to identify specific carbonate minerals that are important to CO2 sequestration reactions and therefore require thermodynamic data. The results of the literature review indicated that an extensive thermodynamic database exists for CO2 and CH4 gases, carbonate aqueous species, and carbonate minerals. Values of ∆fG298° and/or log Kr,298° are available for essentially all of these compounds. However, log Kr,T° or heat capacity values at temperatures above 298 K exist for less than

  17. Germanium multiphase equation of state

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

    Crockett, Scott D.; Lorenzi-Venneri, Giulia De; Kress, Joel D.; Rudin, Sven P.

    2014-05-07

    A new SESAME multiphase germanium equation of state (EOS) has been developed using the best available experimental data and density functional theory (DFT) calculations. The equilibrium EOS includes the Ge I (diamond), the Ge II (β-Sn) and the liquid phases. The foundation of the EOS is based on density functional theory calculations which are used to determine the cold curve and the Debye temperature. Results are compared to Hugoniot data through the solid-solid and solid-liquid transitions. We propose some experiments to better understand the dynamics of this element

  18. Multiphase Flow Analysis in Hydra-TH

    SciTech Connect (OSTI)

    Christon, Mark A.; Bakosi, Jozsef; Francois, Marianne M.; Lowrie, Robert B.; Nourgaliev, Robert

    2012-06-20

    This talk presents an overview of the multiphase flow efforts with Hydra-TH. The presentation begins with a definition of the requirements and design principles for multiphase flow relevant to CASL-centric problems. A brief survey of existing codes and their solution algorithms is presented before turning the model formulation selected for Hydra-TH. The issues of hyperbolicity and wellposedness are outlined, and a three candidate solution algorithms are discussed. The development status of Hydra-TH for multiphase flow is then presented with a brief summary and discussion of future directions for this work.

  19. Geochemical Reaction Mechanism Discovery from Molecular Simulation

    SciTech Connect (OSTI)

    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 mineral 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.

  20. 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

  1. An update on subsea multiphase pumping

    SciTech Connect (OSTI)

    Colombi, P.; De Donno, S.

    1996-02-01

    Agip SpA anticipates that subsea multiphase production, based on long-distance transportation of untreated oilwell fluids--namely, oil, water, and gas, will be an efficient tool for the exploitation of deepwater and marginal fields. In 1990, at the Trecate onshore oil field, Agip completed long-term testing of a multiphase screw pump, which confirmed commercial surface applications. Agip then integrated a subsea version of an improved multiphase twin-screw pump into a subsea multiphase boosting unit that was installed at the Prezioso field, offshore Sicily, in 1994 That was the first subsea installation of an electrically driven multi-phase pump operating with live oil. Agip began endurance testing of the pumping system in January 1995 and by last November, the cumulated period of running reached 3,500 hours with no evidence of pump-capacity reduction. Testing focused on boosting at high gas-void fraction and oil viscosity, operation at variable motor speed for pump control, pump control by means of throttling valves, direct interaction of the pumping system with both wells and the multiphase export line, variation of the lube-oil pressure across seals and bearings, and the evaluation of any degradation effect on the pump flow capacity over time. This paper reviews the design and performance of this pump and applicability to other offshore projects.

  2. On-line subsea multiphase flow measurement

    SciTech Connect (OSTI)

    High, G.; Frantzen, K.H.; Marshall, M.

    1995-12-31

    This paper describes the final detailed design, engineering, and installation phase of a Joint Industry Program to qualify a robust subsea multiphase flowmeter module for long-term installation on a North Sea manifold tie-in. Multiphase subsea production has become a common method of hydrocarbon recovery in all areas of offshore E and P. In the North Sea, many developments are subsea satellites with multiphase well-fluids being comingled prior to processing. The system described meets this challenge by offering a cost effective solution to real-time well monitoring as an alternative to the conventional test separator, removing the need for test lines and shutting in wells for testing. The multiphase instrument allows on-line well fluid analysis, and is also an important tool for reservoir management and field analysis, and provides a means of implementing field allocation metering thereby simplifying small marginal field developments. This project is one of the first subsea multiphase flowmeter installations engineered for long-term subsea service, and designed as an integrated component of the subsea production control system.

  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. 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

  5. Novel Coupled Thermochronometric and Geochemical Investigation...

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

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

  6. 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...

  7. Error handling strategies in multiphase inverse modeling

    SciTech Connect (OSTI)

    Finsterle, S.; Zhang, Y.

    2010-12-01

    Parameter estimation by inverse modeling involves the repeated evaluation of a function of residuals. These residuals represent both errors in the model and errors in the data. In practical applications of inverse modeling of multiphase flow and transport, the error structure of the final residuals often significantly deviates from the statistical assumptions that underlie standard maximum likelihood estimation using the least-squares method. Large random or systematic errors are likely to lead to convergence problems, biased parameter estimates, misleading uncertainty measures, or poor predictive capabilities of the calibrated model. The multiphase inverse modeling code iTOUGH2 supports strategies that identify and mitigate the impact of systematic or non-normal error structures. We discuss these approaches and provide an overview of the error handling features implemented in iTOUGH2.

  8. On the threshold -- Subsea multiphase pumping

    SciTech Connect (OSTI)

    Beran, W.T.

    1995-04-01

    Satellite subsea production systems are attractive as a low-cost approach to field development, particularly for so-called marginal fields in deepwater areas. Development of such fields may be uneconomical, however, if the natural wellhead flowing pressure is too low. This paper presents an update on the state of subsea multiphase-pumping-system technology. The potential production benefits of subsea pressure-boosting systems.

  9. Modified Invasion Percolation Models for Multiphase Processes

    SciTech Connect (OSTI)

    Karpyn, Zuleima

    2015-01-31

    This project extends current understanding and modeling capabilities of pore-scale multiphase flow physics in porous media. High-resolution X-ray computed tomography imaging experiments are used to investigate structural and surface properties of the medium that influence immiscible displacement. Using experimental and computational tools, we investigate the impact of wetting characteristics, as well as radial and axial loading conditions, on the development of percolation pathways, residual phase trapping and fluid-fluid interfacial areas.

  10. Optimizing multiphase aquifer remediation using ITOUGH2

    SciTech Connect (OSTI)

    Finsterle, S.; Pruess, K.

    1994-06-01

    The T2VOC computer model for simulating the transport of organic chemical contaminants in non-isothermal multiphase systems has been coupled to the ITOUGH2 code which solves parameter optimization problems. This allows one to use nonlinear programming and simulated annealing techniques to solve groundwater management problems, i.e. the optimization of multiphase aquifer remediation. This report contains three illustrative examples to demonstrate the optimization of remediation operations by means of simulation-minimization techniques. The code iteratively determines an optimal remediation strategy (e.g. pumping schedule) which minimizes, for instance, pumping and energy costs, the time for cleanup, and residual contamination. While minimizing the objective function is straightforward, the relative weighting of different performance measures--e.g. pumping costs versus cleanup time versus residual contaminant content--is subject to a management decision process. The intended audience of this report is someone who is familiar with numerical modeling of multiphase flow of contaminants, and who might actually use T2VOC in conjunction with ITOUGH2 to optimize the design of aquifer remediation operations.

  11. Multiphase pumps and flow meters avoid platform construction

    SciTech Connect (OSTI)

    Elde, J.

    1999-02-01

    One of the newest wrinkles in efficiency in BP`s Eastern Trough Area Project (ETAP) is the system for moving multiphase oil, water and gas fluids from the Machar satellite field to the Marnock Central Processing Facility (CPF). Using water-turbine-driven multiphase pumps and multiphase flow meters, the system moves fluid with no need for a production platform. In addition, BP has designed the installation so it reduces and controls water coning, thereby increasing recoverable reserves. Both subsea multiphase booster stations (SMUBS) and meters grew out of extensive development work and experience at Framo Engineering AS (Framo) in multiphase meters and multiphase pump systems for subsea installation. Multiphase meter development began in 1990 and the first subsea multiphase meters were installed in the East Spar Project in Australia in 1996. By September 1998, the meters had been operating successfully for more than 1 year. A single multiphase meter installed in Marathon`s West Brae Project has also successfully operated for more than 1 year. Subsea meters for ETAP were installed and began operating in July 1998.

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

    Office of Scientific and Technical Information (OSTI)

    Migration of carbon dioxide (COsub 2) from deep storage formations into shallow drinking ... LEAKS; LEVELS; MATERIALS; METALS; MIGRATION; MINERALS; MOBILITY; OXIDES; ...

  13. Reactive geochemical transport simulation to study mineral trapping...

    Office of Scientific and Technical Information (OSTI)

    ... Authors: Xu, Tianfu ; Apps, John A. ; Pruess, Karsten Publication Date: 2002-04-01 OSTI Identifier: 801952 Report Number(s): LBNL--50089 R&D Project: 468111; B& R KC0403010; TRN: ...

  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. Computational study of the shock driven instability of a multiphase...

    Office of Scientific and Technical Information (OSTI)

    of the shock driven instability of a multiphase particle-gas system This content will become publicly available on February 1, 2017 Title: Computational study of the shock driven ...

  16. Kinetic Theory of Turbulent Multiphase Flow | The Ames Laboratory

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

    Kinetic Theory of Turbulent Multiphase Flow FWP/Project Description: Project Leader(s): Rodney Fox It is proposed to further the present understanding of turbulent gas-solid fluidized-bed reactors from the conceptual standpoint of kinetic theory and turbulence modeling. The primary purpose is to provide a theoretical underpinning for the construction of computer codes to better understand and predict multiphase flow behavior in polydisperse gas-solid fluidized-bed reactors and risers. In

  17. Plasmas in Multiphase Media: Bubble Enhanced Discharges in Liquids and Plasma/Liquid Phase Boundaries

    SciTech Connect (OSTI)

    Kushner, Mark Jay

    2014-07-10

    In this research project, the interaction of atmospheric pressure plasmas with multi-phase media was computationally investigated. Multi-phase media includes liquids, particles, complex materials and porous surfaces. Although this investigation addressed fundamental plasma transport and chemical processes, the outcomes directly and beneficially affected applications including biotechnology, medicine and environmental remediation (e.g., water purification). During this project, we made advances in our understanding of the interaction of atmospheric pressure plasmas in the form of dielectric barrier discharges and plasma jets with organic materials and liquids. We also made advances in our ability to use computer modeling to represent these complex processes. We determined the method that atmospheric pressure plasmas flow along solid and liquid surfaces, and through endoscopic like tubes, deliver optical and high energy ion activation energy to organic and liquid surfaces, and produce reactivity in thin liquid layers, as might cover a wound. We determined the mechanisms whereby plasmas can deliver activation energy to the inside of liquids by sustaining plasmas in bubbles. These findings are important to the advancement of new technology areas such as plasma medicine

  18. Technical Report on NETL's Non Newtonian Multiphase Slurry Workshop: A path forward to understanding non-Newtonian multiphase slurry flows

    SciTech Connect (OSTI)

    Edited by Guenther, Chris; Garg, Rahul

    2013-08-19

    The Department of Energy’s (DOE) National Energy Technology Laboratory (NETL) sponsored a workshop on non-Newtonian multiphase slurry at NETL’s Morgantown campus August 19 and 20, 2013. The objective of this special two-day meeting of 20-30 invited experts from industry, National Labs and academia was to identify and address technical issues associated with handling non-Newtonian multiphase slurries across various facilities managed by DOE. Particular emphasis during this workshop was placed on applications managed by the Office of Environmental Management (EM). The workshop was preceded by two webinars wherein personnel from ORP and NETL provided background information on the Hanford WTP project and discussed the critical design challenges facing this project. In non-Newtonian fluids, viscosity is not constant and exhibits a complex dependence on applied shear stress or deformation. Many applications under EM’s tank farm mission involve non-Newtonian slurries that are multiphase in nature; tank farm storage and handling, slurry transport, and mixing all involve multiphase flow dynamics, which require an improved understanding of the mechanisms responsible for rheological changes in non-Newtonian multiphase slurries (NNMS). To discuss the issues in predicting the behavior of NNMS, the workshop focused on two topic areas: (1) State-of-the-art in non-Newtonian Multiphase Slurry Flow, and (2) Scaling up with Confidence and Ensuring Safe and Reliable Long-Term Operation.

  19. Quantitative tomographic measurements of opaque multiphase flows

    SciTech Connect (OSTI)

    GEORGE,DARIN L.; TORCZYNSKI,JOHN R.; SHOLLENBERGER,KIM ANN; O'HERN,TIMOTHY J.; CECCIO,STEVEN L.

    2000-03-01

    An electrical-impedance tomography (EIT) system has been developed for quantitative measurements of radial phase distribution profiles in two-phase and three-phase vertical column flows. The EIT system is described along with the computer algorithm used for reconstructing phase volume fraction profiles. EIT measurements were validated by comparison with a gamma-densitometry tomography (GDT) system. The EIT system was used to accurately measure average solid volume fractions up to 0.05 in solid-liquid flows, and radial gas volume fraction profiles in gas-liquid flows with gas volume fractions up to 0.15. In both flows, average phase volume fractions and radial volume fraction profiles from GDT and EIT were in good agreement. A minor modification to the formula used to relate conductivity data to phase volume fractions was found to improve agreement between the methods. GDT and EIT were then applied together to simultaneously measure the solid, liquid, and gas radial distributions within several vertical three-phase flows. For average solid volume fractions up to 0.30, the gas distribution for each gas flow rate was approximately independent of the amount of solids in the column. Measurements made with this EIT system demonstrate that EIT may be used successfully for noninvasive, quantitative measurements of dispersed multiphase flows.

  20. 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

  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. Novel Coupled Thermochronometric and Geochemical Investigation...

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

    ... in a well-characterized structural context (permeability and alteration) in order to ... and geochemical data integration and model Innovative approach combining structural ...

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

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

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

  4. 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...

  5. A Cell-Centered Multiphase ALE Scheme With Structural Coupling

    SciTech Connect (OSTI)

    Dunn, Timothy Alan

    2012-04-16

    A novel computational scheme has been developed for simulating compressible multiphase flows interacting with solid structures. The multiphase fluid is computed using a Godunov-type finite-volume method. This has been extended to allow computations on moving meshes using a direct arbitrary-Eulerian- Lagrangian (ALE) scheme. The method has been implemented within a Lagrangian hydrocode, which allows modeling the interaction with Lagrangian structural regions. Although the above scheme is general enough for use on many applications, the ultimate goal of the research is the simulation of heterogeneous energetic material, such as explosives or propellants. The method is powerful enough for application to all stages of the problem, including the initial burning of the material, the propagation of blast waves, and interaction with surrounding structures. The method has been tested on a number of canonical multiphase tests as well as fluid-structure interaction problems.

  6. CASL-8-2015-0103-000 Multi-Phase Flow: Direct Numerical Simulation

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

    of Notre Dame July 8-10, 2013 CASL-U-2015-0103-000 Multi-Phase Flow: Direct ... Laboratories, July 9-10, 2013 CASL-U-2015-0103-000 Multi-Phase Flow: Direct ...

  7. National laboratories` capabilities summaries for the DOE Virtual Center for Multiphase Dynamics (VCMD)

    SciTech Connect (OSTI)

    Joyce, E.L.

    1997-03-01

    The Virtual Center For Multiphase Dynamics (VCMD) integrates and develops the resources of industry, government, academia, and professional societies to enable reliable analysis in multiphase computational fluid dynamics. The primary means of the VCMD focus will be by the creation, support, and validation of a computerized simulation capability for multiphase flow and multiphase flow applications. This paper briefly describes the capabilities of the National Laboratories in this effort.

  8. Multiphase Flow Modeling of Biofuel Production Processes

    SciTech Connect (OSTI)

    D. Gaston; D. P. Guillen; J. Tester

    2011-06-01

    As part of the Idaho National Laboratory's (INL's) Secure Energy Initiative, the INL is performing research in areas that are vital to ensuring clean, secure energy supplies for the future. The INL Hybrid Energy Systems Testing (HYTEST) Laboratory is being established to develop and test hybrid energy systems with the principal objective to safeguard U.S. Energy Security by reducing dependence on foreign petroleum. HYTEST involves producing liquid fuels in a Hybrid Energy System (HES) by integrating carbon-based (i.e., bio-mass, oil-shale, etc.) with non-carbon based energy sources (i.e., wind energy, hydro, geothermal, nuclear, etc.). Advances in process development, control and modeling are the unifying vision for HES. This paper describes new modeling tools and methodologies to simulate advanced energy processes. Needs are emerging that require advanced computational modeling of multiphase reacting systems in the energy arena, driven by the 2007 Energy Independence and Security Act, which requires production of 36 billion gal/yr of biofuels by 2022, with 21 billion gal of this as advanced biofuels. Advanced biofuels derived from microalgal biomass have the potential to help achieve the 21 billion gal mandate, as well as reduce greenhouse gas emissions. Production of biofuels from microalgae is receiving considerable interest due to their potentially high oil yields (around 600 gal/acre). Microalgae have a high lipid content (up to 50%) and grow 10 to 100 times faster than terrestrial plants. The use of environmentally friendly alternatives to solvents and reagents commonly employed in reaction and phase separation processes is being explored. This is accomplished through the use of hydrothermal technologies, which are chemical and physical transformations in high-temperature (200-600 C), high-pressure (5-40 MPa) liquid or supercritical water. Figure 1 shows a simplified diagram of the production of biofuels from algae. Hydrothermal processing has significant

  9. 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....

  10. 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...

  11. 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 ... in brine Computer modeling of chemical and geochemical processes in high ionic ...

  12. 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

  13. The experience from field operation of a subsea multiphase booster

    SciTech Connect (OSTI)

    De Donno, S.; Colombi, P.; Chiesa, G.; Ferrari Aggradi, G.

    1995-12-31

    The subsea multiphase production -- based on the transportation over long distance of the untreated oil-well fluids (oil, water and gas) -- is expected to be one of the most efficient tool for economic exploitation of deep offshore and marginal fields. A long term testing campaign on a multiphase screw pump was successfully completed in 1990 at the AGIP Trecate onshore oil field and the results confirmed the industrial viability for such a kind of equipment for surface application. Then, a subsea version of an improved multiphase twin screw pump has been integrated into a Subsea Multiphase Boosting Unit and installed on the Prezioso Field, offshore Sicily, in Summer 1994. Long term testing under real operating conditions were initiated after a successful start-up of the Unit. To the Authors` knowledge, this is the first world-wide subsea installation of an electrically driven multiphase pump operating with live oil. The paper presents first a description of the marine twin screw pump concept adopted for the subsea application including the main features of the complete boosting unit and the adopted solutions to allow it to operate under different conditions. Then, the project implementation activities from the onshore integration through the installation, commissioning and start-up operations are described. Moreover, the results of the initial functional tests are discussed with particular reference to the screw pump hydraulic performance as well as to the behavior of the pump pressure compensation and seal/lube oil systems. Transient and steady state conditions experienced by the system are finally characterized and the early evidences of its long term performance are discussed.

  14. REACTIVE MULTIPHASE BEHAVIOR OF CO2 IN SALINE AQUIFERS BENEATH THE COLORADO PLATEAU

    SciTech Connect (OSTI)

    R.G. Allis; J. Moore; S. White

    2003-10-21

    Field and laboratory investigations of naturally occurring CO{sub 2}-reservoirs are being conducted to determine the characteristics of potential seal and reservoir units and the extent of the interactions that occur between the host rocks and the CO{sub 2} charged fluids. Efforts have focused on the Farnham Dome field, located in central Utah, and the Springerville-St. Johns field in Arizona and New Mexico. The Springerville-St. Johns field is particularly significant because of the presence of extensive travertine deposits that document release of CO{sub 2} to the atmosphere. CO{sub 2} accumulations at both fields occur in sedimentary rocks typical of CO{sub 2} reservoirs occurring on the Colorado Plateau. The main achievements during this quarter were: (1) a soil gas flux survey at the Springerville-St Johns field, (2) collection of some soil gas for chemical and isotopic analysis from this field, and (3) collection of travertine samples from an elevation range of over 1000 feet (330 m) for dating the time span of carbonate-saturated spring outflow at this field. Analytical results and interpretations are still in progress. When available they will allow contrast with soil gas measurements from Farnham Dome natural CO{sub 2} field in central Utah, which were reported in the previous quarterly report.

  15. REACTIVE MULTIPHASE BEHAVIOR OF CO2 IN SALINE AQUIFERS BENEATH THE COLORADO PLATEAU

    SciTech Connect (OSTI)

    R.G. Allis; J. Moore; S. White

    2003-06-30

    The six coal-fired power plants located in the Colorado Plateau and southern Rocky Mountain region of the U.S. produce 100 million tons of CO{sub 2} per year. Thick sequences of collocated sedimentary rocks represent potential sites for sequestration of the CO{sub 2}. Field and laboratory investigations of naturally occurring CO{sub 2}-reservoirs are being conducted to determine the characteristics of potential seal and reservoir units and the extent of the interactions that occur between the host rocks and the CO{sub 2} charged fluids. The results are being incorporated into a series of two-dimensional numerical models that represent the major chemical and physical processes induced by injection. During reporting period covered here (March 30 to June 30, 2003), the main achievements were: Presentation of three papers at the Second Annual Conference on Carbon Sequestration (May 5-8, Alexandria, Virginia); Presentation of a poster at the American Association of Petroleum Geologists meeting; Co-PI organized and chaired a special session on Geologic Carbon Dioxide Sequestration at the American Association of Petroleum Geologists annual convention in Salt Lake City (May 12-15).

  16. TOURGHREACT: A Simulation Program for Non-isothermal MultiphaseReactiv...

    Office of Scientific and Technical Information (OSTI)

    Authors: Xu, Tianfu ; Sonnenthal, Eric ; Spycher, Nicolas ; Pruess, Karsten Publication Date: 2004-12-07 OSTI Identifier: 877615 Report Number(s): LBNL--56740 R&D Project: G31902; ...

  17. REACTIVE MULTIPHASE BEHAVIOR OF CO{sub 2} IN SALINE AQUIFERS BENEATH THE COLORADO PLATEAU

    SciTech Connect (OSTI)

    R.G. Allis; J. Moore; S. White

    2005-02-08

    Soil gas surveys have been carried out on the Colorado Plateau over areas with natural occurrences of CO{sub 2}. At Farnham Dome, Utah, and Springerville-St. Johns, Arizona, proven CO{sub 2} reservoirs occur at 600-800 m depth, but no anomalous soil gas CO{sub 2} flux was detected. Background CO{sub 2} fluxes of up to about 5 g m{sup -2} day{sup -1} were common in arid, poorly vegetated areas, and fluxes up to about 20 g m{sup -2} day{sup -1} were found at Springerville-St. Johns in heavily vegetated, wet ground adjacent to springs. These elevated fluxes are attributed to shallow root zone activity rather than to a deep upflow of CO{sub 2}. Localized areas of anomalously high CO{sub 2} gas flux ({approx} 100 g m{sup -2} day{sup -1}) were documented along the Little Grand Wash Fault Zone near Crystal Geyser, Utah and nearby in Ten Mile Graben, but those in Ten Mile Graben are not directly associated with the major faults. In both areas, features with a visible gas flux are present. Isotopic measurements on the CO{sub 2} gas confirm that it originated at depth. Evidence of widespread vein calcite at the surface at Farnham Dome and travertine deposits in the other areas suggests that there has been an outflow of CO{sub 2}-rich fluids in the past. 14C ages of pollen trapped in the travertine at Springerville-St. Johns record a period of CO{sub 2} leakage to the atmosphere between 887 {+-} 35 and 3219 {+-} 30 years BP. No travertine deposits appear to be currently forming. At Springerville-St. Johns, Crystal Geyser and Ten Mile Graben, there are significant outflows of high-bicarbonate water. Movement of CO{sub 2}-rich groundwaters may be the dominant mechanism controlling the mobility of CO{sub 2} today. The very localized nature of the soil gas anomalies, evidence of large scale discharge of CO{sub 2} over a very short period of time and the outflow of ground water containing dissolved CO{sub 2} will present challenges for effective, long term monitoring of CO{sub 2} leakage.

  18. REACTIVE MULTIPHASE BEHAVIOR OF CO2 IN SALINE AQUIFERS BENEATH THE COLORADO PLATEAU

    SciTech Connect (OSTI)

    R.G. Allis; J. Moore; S. White

    2005-05-16

    Soil CO{sub 2} flux surveys have been conducted over known CO{sub 2} reservoirs at Farnham Dome, Utah, Crystal Geyser-Ten Mile Graben in Utah and Springerville-St. Johns, Arizona. No anomalous CO{sub 2} flux was detected at the Farnham Dome and Springerville-St. Johns. At Crystal Geyser-Ten Mile Graben, localized areas of anomalously high CO{sub 2} flux ({approx}100 g m{sup -2} day{sup -1}) occur along a fault zone near visibly degassing features. Isotopic measurements on CO{sub 2} collected from nearby springs indicate that it originated at depth. Evidence of widespread vein calcite at the surface (Farnham Dome) and travertine deposits at the other two areas suggests that discharge of CO{sub 2}-rich fluids has occurred in the past. Despite the lack of evidence for significant present day leakage of CO{sub 2} to the atmosphere at Springerville-St. Johns and Crystal Geyser-Ten Mile Graben, there are significant outflows of high-bicarbonate water in both areas suggesting continuous migration of CO{sub 2} in the aqueous phase from depth. The very localized nature of the CO{sub 2} flux anomalies, and the outflow of ground water containing dissolved CO{sub 2} present challenges for effective, long term monitoring of CO{sub 2} leakage.

  19. 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

  20. Nanogeochemistry: Geochemical reactions and mass transfers in...

    Office of Scientific and Technical Information (OSTI)

    Journal Article: Nanogeochemistry: Geochemical reactions and mass transfers in nanopores ... OSTI Identifier: 913493 Report Number(s): SAND2003-0369J Journal ID: ISSN 0091-7613; TRN: ...

  1. 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...

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

    SciTech Connect (OSTI)

    Joseph N. Moore

    2007-12-31

    . 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.

  3. Method for producing nanocrystalline multicomponent and multiphase materials

    DOE Patents [OSTI]

    Eastman, Jeffrey A. (Woodridge, IL); Rittner, Mindy N. (Des Plaines, IL); Youngdahl, Carl J. (Westmont, IL); Weertman, Julia R. (Evanston, IL)

    1998-01-01

    A process for producing multi-component and multiphase nanophase materials is provided wherein a plurality of elements are vaporized in a controlled atmosphere, so as to facilitate thorough mixing, and then condensing and consolidating the elements. The invention also provides for a multicomponent and multiphase nanocrystalline material of specified elemental and phase composition having component grain sizes of between approximately 1 nm and 100 nm. This material is a single element in combination with a binary compound. In more specific embodiments, the single element in this material can be a transition metal element, a non-transition metal element, a semiconductor, or a semi-metal, and the binary compound in this material can be an intermetallic, an oxide, a nitride, a hydride, a chloride, or other compound.

  4. System for measuring multiphase flow using multiple pressure differentials

    DOE Patents [OSTI]

    Fincke, James R.

    2003-01-01

    An improved method and system for measuring a multi-phase flow in a pressure flow meter. An extended throat venturi is used and pressure of the multi-phase flow is measured at three or more positions in the venturi, which define two or more pressure differentials in the flow conduit. The differential pressures are then used to calculate the mass flow of the gas phase, the total mass flow, and the liquid phase. The system for determining the mass flow of the high void fraction fluid flow and the gas flow includes taking into account a pressure drop experienced by the gas phase due to work performed by the gas phase in accelerating the liquid phase.

  5. Method for producing nanocrystalline multicomponent and multiphase materials

    DOE Patents [OSTI]

    Eastman, J.A.; Rittner, M.N.; Youngdahl, C.J.; Weertman, J.R.

    1998-03-17

    A process for producing multi-component and multiphase nanophase materials is provided wherein a plurality of elements are vaporized in a controlled atmosphere, so as to facilitate thorough mixing, and then condensing and consolidating the elements. The invention also provides for a multicomponent and multiphase nanocrystalline material of specified elemental and phase composition having component grain sizes of between approximately 1 nm and 100 nm. This material is a single element in combination with a binary compound. In more specific embodiments, the single element in this material can be a transition metal element, a non-transition metal element, a semiconductor, or a semi-metal, and the binary compound in this material can be an intermetallic, an oxide, a nitride, a hydride, a chloride, or other compound. 6 figs.

  6. Extreme Scale Unstructured Adaptive CFD: From Multiphase Flow to

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

    Aerodynamic Flow Control | Argonne Leadership Computing Facility Isosurface of instantaneous Q criterion colored by speed over a vertical tail Isosurface of instantaneous Q criterion colored by speed over a vertical tail at Re=3.5\ 10^5 of a DES simulation with a rudder deflection angle of 30 degrees and 12 unsteady jets active. Kenneth Jansen, University of Colorado at Boulder Extreme Scale Unstructured Adaptive CFD: From Multiphase Flow to Aerodynamic Flow Control PI Name: Kenneth Jansen

  7. In-situ formation of multiphase deposited thermal barrier coatings

    DOE Patents [OSTI]

    Subramanian, Ramesh

    2004-01-13

    A multiphase ceramic thermal barrier coating is provided. The coating is adapted for use in high temperature applications in excess of about 1200.degree. C., for coating superalloy components of a combustion turbine engine. The coating comprises a ceramic single or two oxide base layer disposed on the substrate surface; and a ceramic oxide reaction product material disposed on the base layer, the reaction product comprising the reaction product of the base layer with a ceramic single or two oxide overlay layer.

  8. Use of multiphase pumps in heavy and extra heavy oil production

    SciTech Connect (OSTI)

    Gonzalez, R.; Guevara, E.M.; Colmenares, J.D.

    1995-12-31

    The main results of a technical and economical feasibility study carried out to analyze the application of multiphase flow technologies in the production of heavy and extra heavy crudes from the Arecuna Field of Corpoven, S.A. in the Orinoco Belt, Venezuela, are presented. It was found that flow stations based on multiphase technologies such as multiphase pumping and metering were the most adequate both technically and economically.

  9. Multi-phase back contacts for CIS solar cells

    DOE Patents [OSTI]

    Rockett, Angus A.; Yang, Li-Chung

    1995-01-01

    Multi-phase, single layer, non-interdiffusing M-Mo back contact metallized films, where M is selected from Cu, Ga, or mixtures thereof, for CIS cells are deposited by a sputtering process on suitable substrates, preferably glass or alumina, to prevent delamination of the CIS from the back contact layer. Typical CIS compositions include CuXSe.sub.2 where X is In or/and Ga. The multi-phase mixture is deposited on the substrate in a manner to provide a columnar microstructure, with micro-vein Cu or/and Ga regions which partially or fully vertically penetrate the entire back contact layer. The CIS semiconductor layer is then deposited by hybrid sputtering and evaporation process. The Cu/Ga-Mo deposition is controlled to produce the single layer two-phase columnar morphology with controllable Cu or Ga vein size less than about 0.01 microns in width. During the subsequent deposition of the CIS layer, the columnar Cu/Ga regions within the molybdenum of the Cu/Ga-Mo back layer tend to partially leach out, and are replaced by columns of CIS. Narrower Cu and/or Ga regions, and those with fewer inner connections between regions, leach out more slowly during the subsequent CIS deposition. This gives a good mechanical and electrical interlock of the CIS layer into the Cu/Ga-Mo back layer. Solar cells employing In-rich CIS semiconductors bonded to the multi-phase columnar microstructure back layer of this invention exhibit vastly improved photo-electrical conversion on the order of 17% greater than Mo alone, improved uniformity of output across the face of the cell, and greater Fill Factor.

  10. Multi-phase back contacts for CIS solar cells

    DOE Patents [OSTI]

    Rockett, A.A.; Yang, L.C.

    1995-12-19

    Multi-phase, single layer, non-interdiffusing M-Mo back contact metallized films, where M is selected from Cu, Ga, or mixtures thereof, for CIS cells are deposited by a sputtering process on suitable substrates, preferably glass or alumina, to prevent delamination of the CIS from the back contact layer. Typical CIS compositions include CuXSe{sub 2} where X is In or/and Ga. The multi-phase mixture is deposited on the substrate in a manner to provide a columnar microstructure, with micro-vein Cu or/and Ga regions which partially or fully vertically penetrate the entire back contact layer. The CIS semiconductor layer is then deposited by hybrid sputtering and evaporation process. The Cu/Ga-Mo deposition is controlled to produce the single layer two-phase columnar morphology with controllable Cu or Ga vein size less than about 0.01 microns in width. During the subsequent deposition of the CIS layer, the columnar Cu/Ga regions within the molybdenum of the Cu/Ga-Mo back layer tend to partially leach out, and are replaced by columns of CIS. Narrower Cu and/or Ga regions, and those with fewer inner connections between regions, leach out more slowly during the subsequent CIS deposition. This gives a good mechanical and electrical interlock of the CIS layer into the Cu/Ga-Mo back layer. Solar cells employing In-rich CIS semiconductors bonded to the multi-phase columnar microstructure back layer of this invention exhibit vastly improved photo-electrical conversion on the order of 17% greater than Mo alone, improved uniformity of output across the face of the cell, and greater Fill Factor. 15 figs.

  11. 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

  12. Mark 22 Reactivity

    SciTech Connect (OSTI)

    Buckner, M.R.

    2001-07-02

    Calculations for reactivity held in control rods have underpredicted the observed Mark 22 reactivity. Reactivity predictions by charge designers have accounted for this by including large biases which change with exposure and reactor region. The purpose of this study was to thoroughly investigate the methods and data used in the reactivity calculations. The goal was to identify errors and improvements and make necessary corrections.

  13. 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 Analysis and Geochemical Modeling of Vanadium Contamination in Groundwater New Rifle Processing Site, Colorado

  14. Novel Coupled Thermochronometric and Geochemical Investigation of Blind

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

    Geothermal Resources in Fault-Controlled Dilational Corners | Department of Energy Coupled Thermochronometric and Geochemical Investigation of Blind Geothermal Resources in Fault-Controlled Dilational Corners Novel Coupled Thermochronometric and Geochemical Investigation of Blind Geothermal Resources in Fault-Controlled Dilational Corners Novel Coupled Thermochronometric and Geochemical Investigation of Blind Geothermal Resources in Fault-Controlled Dilational Corners presentation at the

  15. Developing a subsea multiphase-flow pumping system

    SciTech Connect (OSTI)

    1997-08-01

    Since 1995, Petrobras and Westinghouse have been working on a development effort that has resulted in a technological cooperation agreement between the companies and, more importantly, the development of a conceptual design for a subsea multiphase-flow pumping system. SBMS-500 [500-m{sup 3}/hr total flow rate, up to 6,000 KPa of pressure increase, up to 95% gas-void fraction (GVF) at the suction, and approximately 1.2 MW of power on the shaft], adequate for deepwater guidelineless operations. In 1992, having discovered fields in water depths greater than the original 1,000-m limit. Petrobras created a new program named Procap-2000 (technological-innovation program for deepwater exploitation systems). Among the innovative technological endeavors that Procap comprises are the boosting projects, namely the electrical submersible downhole pump in subsea wells; a subsea liquid-separation system; and a subsea multiphase-flow pumping system (SMFPS). Major characteristics and plans for field testing are described.

  16. MULTI-PHASE FRACTURE-MATRIX INTERACTIONS UNDER STRESS CHANGES

    SciTech Connect (OSTI)

    A.S. Grader; D. Elsworth; P.M. Halleck; F. Alvarado; A. Alajmi; Z. Karpyn; N. Mohammed; S. Al-Enezi

    2005-06-15

    The main objectives of this project are to quantify the changes in fracture porosity and multiphase transport properties as a function of confining stress. These changes will be integrated into conceptual and numerical models that will improve our ability to predict and optimize fluid transport in fractured system. This report details our progress on: (a) developing the direct experimental measurements of fracture aperture and topology and fluid occupancy using high-resolution x-ray micro-tomography, (b) quantifying the effect of confining stress on the distribution of fracture aperture, and (c) characterization of shear fractures and their impact on multi-phase flow. The three-dimensional surface that describes the large-scale structure of the fracture in the porous medium can be determined using x-ray micro-tomography with significant accuracy. Several fractures have been scanned and the fracture aperture maps have been extracted. The success of the mapping of fracture aperture was followed by measuring the occupancy of the fracture by two immiscible phases, water and decane, and water and kerosene. The distribution of fracture aperture depends on the effective confining stress on the nature of the rock and the type and distribution of the asperities that keep the fracture open. Fracture apertures at different confining stresses were obtained by micro-tomography covering a range of about two thousand psig. Initial analysis of the data shows a significant aperture closure with increase in effective confining stress. Visual descriptions of the process are shown in the report while detailed analysis of the behavior of the distribution of fracture aperture is in progress. Both extensional and shear fractures are being considered. The initial multi-phase flow tests were done in extensional fractures. Several rock samples with induced shear fracture are being studied, and some of the new results are presented in this report. These samples are being scanned in order to

  17. System for reactivating catalysts

    DOE Patents [OSTI]

    Ginosar, Daniel M.; Thompson, David N.; Anderson, Raymond P.

    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.

  18. Permeable Reactive Barriers

    Broader source: Energy.gov [DOE]

    A permeable reactive barrier (PRB) is a zone of reactive material placed underground to intercept and react with a contaminant plume in ground water. Typically, PRBs are emplaced by replacing soils...

  19. 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.

  20. Analysis of the Multi-Phase Copying Garbage Collection Algorithm

    SciTech Connect (OSTI)

    Podhorszki, Norbert

    2009-01-01

    The multi-phase copying garbage collection was designed to avoid the need for large amount of reserved memory usually required for the copying types of garbage collection algorithms. The collection is performed in multiple phases using the available free memory. This paper proves that the number of phases depends on the size of the reserved memory and the ratio of the garbage and accessible objects. The performance of the implemented algorithm is tested in a fine-grained parallel Prolog system. We find that reserving only 10% of memory for garbage collection is sufficient for good performance in practice. Additionally, an improvement of the generic algorithm specifically for the tested parallel Prolog system is described.

  1. Azo Dyes and Their Interfacial Activity: Implications for Multiphase Flow Experiments

    SciTech Connect (OSTI)

    Tuck, D.M.

    1999-04-21

    Interfacial effects play an important role in governing multiphase fluid behavior in porous media (Neustadter 1984; Tuck et al. 1988). For instance, several dimensionless numbers have been developed to express important force ratios applicable to multiphase flow in porous media (Morrow and Songkran 1981; Chatzis and Morrow 1984; Wardlaw 1988; Pennell et al. 1996; Dawson and Roberts 1997). These force ratios emphasize the importance of interfacial properties. Our objectives are to provide chemical information regarding the dyes commonly used in multiphase flow visualization studies and to show the surface chemistry effects of the most commonly used dye, Sudan IV, in the tetrachloroethylene (PCE)-water-glass system

  2. Multiphase Flow Modeling - Validation and Application CRADA MC94-019, Final Report

    SciTech Connect (OSTI)

    Madhava Syamlal; Philip A. Nicoletti

    1995-08-31

    For the development and validation of multiphase flow modeling capability, a cooperative research and development agreement (CRADA) is in effect between Morgantown Energy Technology Center (METC) and Fluent Inc. To validate the Fluent multiphase model, several simulations were conducted at METC and the results were compared with the results of MFIX, a multiphase flow code developed at METC, and with experimental data. The results of these validation studies will be presented. In addition, the application of multiphase flow modeling will be illustrated by presenting the results of simulations of a filter back- flushing and a fluidized bed coal gasifier. These simulations were conducted only with MFIX, since certain features needed in these simulations will be available only in the next release of Fluent.

  3. A UQ Enabled Aluminum Tabular Multiphase Equation-of-State Model

    Office of Scientific and Technical Information (OSTI)

    1325C A UQ Enabled Aluminum Tabular Multiphase Equation-of-State Model Allen C. Robinson, John H. Carpenter0, Bert J. Debusschere*, Ann E. Mattsson0 t Computational Multiphysics, ...

  4. Multiphase flow modeling based on the hyperbolic thermodynamically compatible systems theory

    SciTech Connect (OSTI)

    Romenski, E.

    2015-03-10

    An application of the theory of thermodynamically compatible hyperbolic systems to design a multiphase compressible flow models is discussed. With the use of such approach the governing equations are derived from the first principles, formulated in a divergent form and can be transformed to a symmetric hyperbolic system in the sense of Friedrichs. A usage of the proposed approach is described for the development of multiphase compressible fluid models, including two-phase flow models.

  5. 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.

  6. 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

  7. 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 ...

  8. 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...

  9. Geochemical Impacts of Carbon Dioxide, Brine, Trace Metal and...

    Office of Scientific and Technical Information (OSTI)

    Carbon Dioxide, Brine, Trace Metal and Organic Leakage into an Unconfined, Oxidizing Limestone Aquifer Citation Details In-Document Search Title: Geochemical Impacts of Carbon ...

  10. 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...

  11. 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. ...

  12. Experimental characterization of energetic material dynamics for multiphase blast simulation.

    SciTech Connect (OSTI)

    Beresh, Steven Jay; Wagner, Justin L.; Kearney, Sean Patrick; Wright, Elton K.; Baer, Melvin R.; Pruett, Brian Owen Matthew

    2011-09-01

    Currently there is a substantial lack of data for interactions of shock waves with particle fields having volume fractions residing between the dilute and granular regimes, which creates one of the largest sources of uncertainty in the simulation of energetic material detonation. To close this gap, a novel Multiphase Shock Tube has been constructed to drive a planar shock wave into a dense gas-solid field of particles. A nearly spatially isotropic field of particles is generated in the test section by a gravity-fed method that results in a spanwise curtain of spherical 100-micron particles having a volume fraction of about 19%. Interactions with incident shock Mach numbers of 1.66, 1.92, and 2.02 were achieved. High-speed schlieren imaging simultaneous with high-frequency wall pressure measurements are used to reveal the complex wave structure associated with the interaction. Following incident shock impingement, transmitted and reflected shocks are observed, which lead to differences in particle drag across the streamwise dimension of the curtain. Shortly thereafter, the particle field begins to propagate downstream and spread. For all three Mach numbers tested, the energy and momentum fluxes in the induced flow far downstream are reduced about 30-40% by the presence of the particle field. X-Ray diagnostics have been developed to penetrate the opacity of the flow, revealing the concentrations throughout the particle field as it expands and spreads downstream with time. Furthermore, an X-Ray particle tracking velocimetry diagnostic has been demonstrated to be feasible for this flow, which can be used to follow the trajectory of tracer particles seeded into the curtain. Additional experiments on single spherical particles accelerated behind an incident shock wave have shown that elevated particle drag coefficients can be attributed to increased compressibility rather than flow unsteadiness, clarifying confusing results from the historical database of shock tube

  13. Multicomponent, multiphase flow in porous media with temperature variation

    SciTech Connect (OSTI)

    Wingard, J.S.; Orr, F.M. Jr.

    1990-10-01

    Recovery of hydrocarbons from porous media is an ongoing concern. Advanced techniques augment conventional recovery methods by injecting fluids that favorably interact with the oil. These fluids interact with the oil by energy transfer, in the case of steam injection, or by mass transfer, as in a miscible gas flood. Often both thermal and compositional considerations are important. An understanding of these injection methods requires knowledge of how temperature variations, phase equilibrium and multiphase flow in porous media interact. The material balance for each component and energy balance are cast as a system of non-strictly hyperbolic partial differential equations. This system of equations is solved using the method of characteristics. The model takes into account the phase behavior by using the Peng-Robinson equation of state to partition the individual components into different phases. Temperature effects are accounted for by the energy balance. Flow effects are modelled by using fractional flow curves and a Stone's three phase relative permeability model. Three problems are discussed. The first problem eliminates the phase behavior aspect of the problem by studying the flow of a single component as it undergoes an isothermal phase change. The second couples the effects of temperature and flow behavior by including a second component that is immiscible with the original component. Phase behavior is added by using a set of three partially miscible components that partition into two or three separate phases. 66 refs., 54 figs., 14 tabs.

  14. PArallel Reacting Multiphase FLOw Computational Fluid Dynamic Analysis

    Energy Science and Technology Software Center (OSTI)

    2002-06-01

    PARMFLO is a parallel multiphase reacting flow computational fluid dynamics (CFD) code. It can perform steady or unsteady simulations in three space dimensions. It is intended for use in engineering CFD analysis of industrial flow system components. Its parallel processing capabilities allow it to be applied to problems that use at least an order of magnitude more computational cells than the number that can be used on a typical single processor workstation (about 106 cellsmore » in parallel processing mode versus about io cells in serial processing mode). Alternately, by spreading the work of a CFD problem that could be run on a single workstation over a group of computers on a network, it can bring the runtime down by an order of magnitude or more (typically from many days to less than one day). The software was implemented using the industry standard Message-Passing Interface (MPI) and domain decomposition in one spatial direction. The phases of a flow problem may include an ideal gas mixture with an arbitrary number of chemical species, and dispersed droplet and particle phases. Regions of porous media may also be included within the domain. The porous media may be packed beds, foams, or monolith catalyst supports. With these features, the code is especially suited to analysis of mixing of reactants in the inlet chamber of catalytic reactors coupled to computation of product yields that result from the flow of the mixture through the catalyst coaled support structure.« less

  15. Inhibition of slug front corrosion in multiphase flow conditions

    SciTech Connect (OSTI)

    Chen, H.J.; Jepson, W.P.

    1998-12-31

    Corrosion at the slug front at the bottom of a pipeline is identified as one of the worst cases of corrosion occurring in the pipeline which carries unprocessed multiphase production with a high level of CO{sub 2} gas. One objective of the study in recommending a subsea completion to shore was to determine if commercial corrosion inhibitors can control this type of corrosion using carbon steel pipeline. Thus, inhibitors which showed excellent performance in the lab using the Rotating Cylinder Electrode system (RCE) were further evaluated to confirm their performance in a flow loop simulating the test conditions predicted from the flow modeling for the proposed pipeline. The performance profile of two commercial inhibitors were determined in a 4 in. flow loop at 7O C, 100 psig CO{sub 2} partial pressure in corrosive brines with or without ethylene glycol and/or light hydrocarbon. Results showed that the carbon steel pipeline could be adequately protected at low temperature using a commercial corrosion inhibitor to meet the designed life of the pipeline. Ethylene glycol, which is used in the pipeline to prevent hydrate formation, reduces the corrosivity of the brine and gives no effect on inhibitor performance under the slug flow conditions. A good agreement in inhibitor performance was observed between the flow loop and the RCE testing. The uninhibited corrosion rate of the test brine in this study is in good agreement with the predicted value using deWaard and Williams correlation for CO{sub 2} corrosion.

  16. 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

  17. Code System to Model Aqueous Geochemical Equilibria.

    Energy Science and Technology Software Center (OSTI)

    2001-08-23

    Version: 00 MINTEQ is a geochemical program to model aqueous solutions and the interactions of aqueous solutions with hypothesized assemblages of solid phases. It was developed for the Environmental Protection Agency to perform the calculations necessary to simulate the contact of waste solutions with heterogeneous sediments or the interaction of ground water with solidified wastes. MINTEQ can calculate ion speciation/solubility, adsorption, oxidation-reduction, gas phase equilibria, and precipitation/dissolution ofsolid phases. MINTEQ can accept a finite massmore » for any solid considered for dissolution and will dissolve the specified solid phase only until its initial mass is exhausted. This ability enables MINTEQ to model flow-through systems. In these systems the masses of solid phases that precipitate at earlier pore volumes can be dissolved at later pore volumes according to thermodynamic constraints imposed by the solution composition and solid phases present. The ability to model these systems permits evaluation of the geochemistry of dissolved traced metals, such as low-level waste in shallow land burial sites. MINTEQ was designed to solve geochemical equilibria for systems composed of one kilogram of water, various amounts of material dissolved in solution, and any solid materials that are present. Systems modeled using MINTEQ can exchange energy and material (open systems) or just energy (closed systems) with the surrounding environment. Each system is composed of a number of phases. Every phase is a region with distinct composition and physically definable boundaries. All of the material in the aqueous solution forms one phase. The gas phase is composed of any gaseous material present, and each compositionally and structurally distinct solid forms a separate phase.« less

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

    Office of Scientific and Technical Information (OSTI)

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

  19. Some Specific CASL Requirements for Advanced Multiphase Flow Simulation of Light Water Reactors

    SciTech Connect (OSTI)

    R. A. Berry

    2010-11-01

    Because of the diversity of physical phenomena occuring in boiling, flashing, and bubble collapse, and of the length and time scales of LWR systems, it is imperative that the models have the following features: • Both vapor and liquid phases (and noncondensible phases, if present) must be treated as compressible. • Models must be mathematically and numerically well-posed. • The models methodology must be multi-scale. A fundamental derivation of the multiphase governing equation system, that should be used as a basis for advanced multiphase modeling in LWR coolant systems, is given in the Appendix using the ensemble averaging method. The remainder of this work focuses specifically on the compressible, well-posed, and multi-scale requirements of advanced simulation methods for these LWR coolant systems, because without these are the most fundamental aspects, without which widespread advancement cannot be claimed. Because of the expense of developing multiple special-purpose codes and the inherent inability to couple information from the multiple, separate length- and time-scales, efforts within CASL should be focused toward development of a multi-scale approaches to solve those multiphase flow problems relevant to LWR design and safety analysis. Efforts should be aimed at developing well-designed unified physical/mathematical and high-resolution numerical models for compressible, all-speed multiphase flows spanning: (1) Well-posed general mixture level (true multiphase) models for fast transient situations and safety analysis, (2) DNS (Direct Numerical Simulation)-like models to resolve interface level phenmena like flashing and boiling flows, and critical heat flux determination (necessarily including conjugate heat transfer), and (3) Multi-scale methods to resolve both (1) and (2) automatically, depending upon specified mesh resolution, and to couple different flow models (single-phase, multiphase with several velocities and pressures, multiphase with single

  20. Time-resolved quantitative multiphase interferometric imaging of a highly focused ultrasound pulse

    SciTech Connect (OSTI)

    Souris, Fabien; Grucker, Jules; Dupont-Roc, Jacques; Jacquier, Philippe; Arvengas, Arnaud; Caupin, Frederic

    2010-11-01

    Interferometric imaging is a well-established method to image phase objects by mixing the image wavefront with a reference one on a CCD camera. It has also been applied to fast transient phenomena, mostly through the analysis of single interferograms. It is shown that, for repetitive phenomena, multiphase acquisition brings significant advantages. A 1MHz focused sound field emitted by a hemispherical piezotransducer in water is imaged as an example. Quantitative image analysis provides high resolution sound field profiles. Pressure at focus determined by this method agrees with measurements from a fiber-optic probe hydrophone. This confirms that multiphase interferometric imaging can indeed provide quantitative measurements.

  1. 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...

  2. 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)...

  3. Geochemical and isotopic water results, Barrow, Alaska, 2012-2013

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

    Heikoop, Jeff; Wilson, Cathy; Newman, Brent

    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.

  4. Reactive power compensator

    DOE Patents [OSTI]

    El-Sharkawi, Mohamed A.; Venkata, Subrahmanyam S.; Chen, Mingliang; Andexler, George; Huang, Tony

    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.

  5. 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.

  6. SubTER Grand Challenge Roundtable: Imaging Geophysical and Geochemical

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

    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 Grand Challenge Workshop -Imaging Subsurface.pdf (434.52 KB) More Documents & Publications AGU SubTER Town Hall Presentation 2015 SubTER Presentation at Town Hall - American Geophysical Union Controlling Subsurface Fractures and Fluid Flow: A Basic

  7. Up-Scaling Geochemical Reaction Rates for Carbon Dioxide (CO2) in Deep Saline Aquifers

    SciTech Connect (OSTI)

    Peters, Catherine A

    2013-02-28

    Geochemical reactions in deep subsurface environments are complicated by the consolidated nature and mineralogical complexity of sedimentary rocks. Understanding the kinetics of these reactions is critical to our ability to make long-term predictions about subsurface processes such as pH buffering, alteration in rock structure, permeability changes, and formation of secondary precipitates. In this project, we used a combination of experiments and numerical simulation to bridge the gap between our knowledge of these reactions at the lab scale and rates that are meaningful for modeling reactive transport at core scales. The focus is on acid-driven mineral dissolution, which is specifically relevant in the context of CO2-water-rock interactions in geological sequestration of carbon dioxide. The project led to major findings in three areas. First, we modeled reactive transport in pore-network systems to investigate scaling effects in geochemical reaction rates. We found significant scaling effects when CO2 concentrations are high and reaction rates are fast. These findings indicate that the increased acidity associated with geological sequestration can generate conditions for which proper scaling tools are yet to be developed. Second, we used mathematical modeling to investigate the extent to which SO2, if co-injected with CO2, would acidify formation brines. We found that there exist realistic conditions in which the impact on brine acidity will be limited due to diffusion rate-limited SO2 dissolution from the CO2 phase, and the subsequent pH shift may also be limited by the lack of availability of oxidants to produce sulfuric acid. Third, for three Viking sandstones (Alberta sedimentary basin, Canada), we employed backscattered electron microscopy and energy dispersive X-ray spectroscopy to statistically characterize mineral contact with pore space. We determined that for reactive minerals in sedimentary consolidated rocks, abundance alone is not a good predictor of

  8. 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

  9. Multiphase boosting: A growing technology for the challenge of economical deepwater developments

    SciTech Connect (OSTI)

    Colombi, P.; Chiesa, G.; Aggradi, G.F.

    1996-12-31

    The current operating success in the subsea prototype testing and the level of development of different pump concepts are promoting multiphase boosting as a reliable technology for the exploitation of subsea fields. From a situation where very basic questions were asked about the expected performance and reliability of this equipment the Industry is now looking at those scenarios showing the greatest potential for the application of this technology like the deep waters. Competitive options to develop subsea fields, however, may be available and, although they may present some disadvantages compared with multiphase boosting, they make use of traditional practices and proven technologies. In the above perspective, the field operational experience plays a key role to prove the suitability of the proposed systems in handling the untreated well fluids under real subsea conditions so giving multiphase boosting a distinct edge over more conventional solutions. To this end, the paper reviews the main results obtained so far by the underwater testing campaign of a prototype multiphase boosting unit at the Agip Prezioso Field, offshore Sicily. In particular, the review addresses the main technological issues encountered during the subsea operation of the boosting unit together with an initial characterization of the experienced unit performance. The above is considered to provide a significant contribution to the evaluation of the current level of maturity of this technology as well as of the present technological gap to meet the requirements posed by real industrial applications, particularly in deep waters.

  10. Geochemical Mud Logging of geothermal drilling

    SciTech Connect (OSTI)

    Tonani, F.B.; Guidi, M.; Johnson, S.D.

    1988-01-01

    The experience and results described in the present paper were developed over nearly two decades, with a major R&D project around 1980. The expression Geochemical Mud Logging (GML) has ill defined meaning in the geothermal industry, and ought to be specified. We refer here to GML as featuring mud and formation fluid tracer(s) and temperature as the bare essentials and with specified accuracies. Air and water logging are expected to be less demanding with regard to analysis accuracy, but are not discussed in this report. During application of GML to several drill holes with low formation permeabilities and under conditions of high temperature and high mud weight, GML as specified, revealed unexpected influx of formation brine. Such influx was a recurring feature that has been referenced to individual fractures and reflects both fracture size and permeability. As a consequence, continuous or subcontinuous sampling of mud systems appears more cost effective than trying to keep up with cumulative changes of bulk mud composition; although, the latter approach is more sensitive to extremely low rate, steady, inflow of formation fluid into the mud system. It appears, that based on this influx of formation fluid, permeability can be estimated well before mud losses are detected and/or drill strings are stuck. The main advantages of GML are: (1) the capability to assess formation temperature and permeability in nearly real time, resulting in (a) assessments of undisturbed formation and (b) having data in hand for holes lost during drilling operations and (2) being effective under conditions of very high temperatures where electrical logs are very costly and less reliable. Estimated cost for GML is $1500 per day (1982) based on assessments of R&D operations. However, extrapolating to larger scale services and to different operating conditions is indeed difficult. GML cost is probably the only significant point of controversy with regard to GML being a viable evaluation tool.

  11. 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.

  12. Reactive power compensating system

    DOE Patents [OSTI]

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

    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.

  13. 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.

  14. Reactive power pricing and management

    SciTech Connect (OSTI)

    Hao, S.; Papalexopoulos, A.

    1997-02-01

    This paper explores the technical and economic issues of determining reactive power pricing structures in an open-access environment. It is believed that reactive power pricing and management under open-access will depend upon two important developments: (1) the functional unbundling of facilities that support the reactive power and voltage control service, and (2) grid rules to facilitate the coordination between generation and transmission systems for reliable system operation. The paper discusses the characteristics of reactive power that must be considered in order to develop a framework for reactive power pricing and management. Several cost allocation methods for valuing reactive power are presented. Two workable reactive power pricing structures are also proposed. The first is based on performance standards and the second is based on the local reactive power market concept.

  15. 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.

  16. Methods, systems and apparatus for approximation of peak summed fundamental and third harmonic voltages in a multi-phase machine

    DOE Patents [OSTI]

    Ransom, Ray M.; Gallegos-Lopez, Gabriel; Kinoshita, Michael H.

    2012-07-31

    Methods, system and apparatus are provided for quickly approximating a peak summed magnitude (A) of a phase voltage (Vph) waveform in a multi-phase system that implements third harmonic injection.

  17. 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 90°C 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 90°C. 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 90°C. 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 90°C. 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 90°C 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

  18. 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 ...

  19. Hybrid multiphase CFD simulation for liquid-liquid interfacial area prediction in annular centrifugal contactors

    SciTech Connect (OSTI)

    Wardle, K.E.

    2013-07-01

    Liquid-liquid contacting equipment used in solvent extraction processes has the dual purpose of mixing and separating two immiscible fluids. Consequently, such devices inherently encompass a wide variety of multiphase flow regimes. A hybrid multiphase computational fluid dynamics (CFD) solver which combines the Eulerian multi-fluid method with VOF (volume of fluid) sharp interface capturing has been developed for application to annular centrifugal contactors. This solver has been extended to enable prediction of mean droplet size and liquid-liquid interfacial area through a single moment population balance method. Simulations of liquid-liquid mixing in a simplified geometry and a model annular centrifugal contactor are reported with droplet breakup/coalescence models being calibrated versus available experimental data. Quantitative comparison is made for two different housing vane geometries and it is found that the predicted droplet size is significantly smaller for vane geometries which result in higher annular liquid holdup.

  20. Isothermal Multiphase Flash Calculations with the PC-SAFT Equation of State

    SciTech Connect (OSTI)

    Justo-Garcia, Daimler N.; Garcia-Sanchez, Fernando; Romero-Martinez, Ascencion

    2008-03-05

    A computational approach for isothermal multiphase flash calculations with the PC-SAFT (Perturbed-Chain Statistical Associating Fluid Theory) equation of state is presented. In the framework of the study of fluid phase equilibria of multicomponent systems, the general multiphase problem is the single most important calculation which consists of finding the correct number and types of phases and their corresponding equilibrium compositions such that the Gibbs energy of the system is a minimum. For solving this problem, the system Gibbs energy was minimized using a rigorous method for thermodynamic stability analysis to find the most stable state of the system. The efficiency and reliability of the approach to predict and calculate complex phase equilibria are illustrated by solving three typical problems encountered in the petroleum industry.

  1. Origin of resistivity anomaly in p-type leads chalcogenide multiphase compounds

    SciTech Connect (OSTI)

    Aminorroaya Yamini, Sima E-mail: jsnyder@caltech.edu; Dou, Shi Xue; Mitchell, David R. G.; Wang, Heng; Gibbs, Zachary M.; Pei, Yanzhong; Snyder, G. Jeffrey E-mail: jsnyder@caltech.edu

    2015-05-15

    The electrical resistivity curves for binary phase compounds of p-type lead chalcogenide (PbTe){sub (0.9−x)}(PbSe){sub 0.1}(PbS){sub x,} (x = 0.15, 0.2, 0.25), which contain PbS-rich secondary phases, show different behaviour on heating and cooling between 500-700 K. This is contrast to single phase compounds which exhibit similar behaviour on heating and cooling. We correlate these anomalies in the electrical resistivities of multiphase compounds to the variation in phase composition at high temperatures. The inhomogeneous distribution of dopants between the matrix and secondary phase is found to be crucial in the electronic transport properties of the multiphase compounds. These results can lead to further advances in designing composite Pb-chalcogenides with high thermoelectric performance.

  2. Sand transport and deposition in horizontal multiphase trunklines of subsea satellite developments

    SciTech Connect (OSTI)

    Oudeman, P. )

    1993-11-01

    Gravel packing is unattractive as a way to protect against the effects of sand production in subsea wells because it involves additional completion costs, loss of productivity, and difficulties in subsequent recompletion/well servicing operations. On the other hand, omitting gravel packs means that subsea developments must be designed and operated so that they can tolerate sand production. An experimental study was carried out on sand transport and deposition in multiphase flow in modeled subsea flowlines to address the problem and sand collection in horizontal trunklines, which could lead to reduced line throughput, pigging problems, enhanced pipe-bottom erosion, or even blockage. This study led to the definition of a new model for sand transport in multiphase flow, which was used to establish the risk of sand deposition in trunklines connecting a subsea development to nearby production platform.

  3. Computational study of the shock driven instability of a multiphase particle-gas system

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

    None, None

    2016-02-01

    This paper considers the interaction of a shock wave with a multiphase particle-gas system which creates an instability somewhat similar to the Richtmyer-Meshkov instability but with a larger parameter space. Because this parameter space is large, we only present an introductory survey of the effects of many of these parameters. We highlight the effects of particle-gas coupling, incident shock strength, particle size, effective system density differences, and multiple particle relaxation time effects. We focus on dilute flows with mass loading up to 40% and do not attempt to cover all parametric combinations. Instead, we vary one parameter at a timemore » leaving additional parametric combinations for future work. The simulations are run with the Ares code, developed at Lawrence Livermore National Laboratory, which uses a multiphase particulate transport method to model two-way momentum and energy coupling. A brief validation of these models is presented and coupling effects are explored. It is shown that even for small particles, on the order of 1μm, multi-phase coupling effects are important and diminish the circulation deposition on the interface by up to 25%. These coupling effects are shown to create large temperature deviations from the dusty gas approximation, up to 20% greater, especially at higher shock strengths. It is also found that for a multiphase instability, the vortex sheet deposited at the interface separates into two sheets. In conclusion, depending on the particle and particle-gas Atwood numbers, the instability may be suppressed or enhanced by the interactions of these two vortex sheets.« less

  4. Considerations for developing models of multiphase flow in deformable porous media.

    SciTech Connect (OSTI)

    Martinez, Mario J.; Stone, Charles Michael

    2008-09-01

    This document summarizes research and planning for the development of a numerical simulation capability for nonisothermal multiphase, multicomponent transport in heterogeneous deformable porous materials. Particular attention is given to describing a mathematical formulation for flow in deformable media and for numerical techniques for dealing with phase transitions. A development plan is formulated to provide a computational capability motivated by current and future needs in geosystems management for energy security.

  5. Development of an Efficient Meso- scale Multi-phase Flow Solver in Nuclear Applications

    SciTech Connect (OSTI)

    Lee, Taehun

    2015-10-20

    The proposed research aims at formulating a predictive high-order Lattice Boltzmann Equation for multi-phase flows relevant to nuclear energy related application - namely, saturated and sub-cooled boiling in reactors, and liquid- liquid mixing and extraction for fuel cycle separation. An efficient flow solver will be developed based on the Finite Element based Lattice Boltzmann Method (FE- LBM), accounting for phase-change heat transfer and capable of treating multiple phases over length scales from the submicron to the meter. A thermal LBM will be developed in order to handle adjustable Prandtl number, arbitrary specific heat ratio, a wide range of temperature variations, better numerical stability during liquid-vapor phase change, and full thermo-hydrodynamic consistency. Two-phase FE-LBM will be extended to liquid–liquid–gas multi-phase flows for application to high-fidelity simulations building up from the meso-scale up to the equipment sub-component scale. While several relevant applications exist, the initial applications for demonstration of the efficient methods to be developed as part of this project include numerical investigations of Critical Heat Flux (CHF) phenomena in nuclear reactor fuel bundles, and liquid-liquid mixing and interfacial area generation for liquid-liquid separations. In addition, targeted experiments will be conducted for validation of this advanced multi-phase model.

  6. How 12 geochemical methods fared in GERT project in Permian basin

    SciTech Connect (OSTI)

    Calhoun, G.G.

    1991-05-13

    This paper reports on Geochemical Evaluation Research Team (GERT) which is an experiment conceived to identify surface geochemical exploration methods that are effective in finding oil. Many of the methods use technology developed in the last 5 years. In fact, one of the challenging jobs for the geochemical explorationist is keeping up with new techniques and improvements. The way to minimize dry holes is to screen prospects with carefully selected geochemical techniques prior to acreage acquisition and seismic surveys.

  7. Precipitation in Pores: A Geochemical Frontier

    SciTech Connect (OSTI)

    Stack, Andrew G.

    2015-01-01

    This article's purpose is to review some of the recent research in which geochemists have examined precipitation of solid phases in porous media, particularly in pores a few nanometers in diameter (nanopores). While this is a “review,” it is actually more forward-looking in that the list of things about this phenomenon that we do not know or cannot control at this time is likely longer than what we do know and can control. For example, there are three directly contradictory theories on how to predict how precipitation proceeds in a medium of varying pore size, as will be discussed below. The confusion on this subject likely stems from the complexity of the phenomenon itself: One can easily clog a porous medium by inducing a rapid, homogeneous precipitation directly from solution, or have limited precipitation occur that does not affect permeability or even porosity substantially. It is more difficult to engineer mineral precipitation in order to obtain a specific outcome, such as filling all available pore space over a targeted area for the purposes of contaminant sequestration. However, breakthrough discoveries could occur in the next five to ten years that enhance our ability to predict robustly and finely control precipitation in porous media by understanding how porosity and permeability evolve in response to system perturbations. These discoveries will likely stem (at least in part) from advances in our ability to 1) perform and interpret X-ray/neutron scattering experiments that reveal the extent of precipitation and its locales within porous media (Anovitz and Cole 2015, this volume), and 2) utilize increasingly powerful simulations to test concepts and models about the evolution of porosity and permeability as precipitation occurs (Steefel et al. 2015, this volume). A further important technique to isolate specific phenomena and understand reactivity is also microfluidics cell experiments that allow specific control of flow paths and fluid velocities

  8. Precipitation in pores: A geochemical frontier

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

    Stack, Andrew G.

    2015-07-29

    This article's purpose is to review some of the recent research in which geochemists have examined precipitation of solid phases in porous media, particularly in pores a few nanometers in diameter (nanopores). While this is a “review,” it is actually more forward-looking in that the list of things about this phenomenon that we do not know or cannot control at this time is likely longer than what we do know and can control. For example, there are three directly contradictory theories on how to predict how precipitation proceeds in a medium of varying pore size, as will be discussed below.more » The confusion on this subject likely stems from the complexity of the phenomenon itself: One can easily clog a porous medium by inducing a rapid, homogeneous precipitation directly from solution, or have limited precipitation occur that does not affect permeability or even porosity substantially. It is more difficult to engineer mineral precipitation in order to obtain a specific outcome, such as filling all available pore space over a targeted area for the purposes of contaminant sequestration. However, breakthrough discoveries could occur in the next five to ten years that enhance our ability to predict robustly and finely control precipitation in porous media by understanding how porosity and permeability evolve in response to system perturbations. These discoveries will likely stem (at least in part) from advances in our ability to 1) perform and interpret X-ray/neutron scattering experiments that reveal the extent of precipitation and its locales within porous media (Anovitz and Cole 2015, this volume), and 2) utilize increasingly powerful simulations to test concepts and models about the evolution of porosity and permeability as precipitation occurs (Steefel et al. 2015, this volume). A further important technique to isolate specific phenomena and understand reactivity is also microfluidics cell experiments that allow specific control of flow paths and fluid

  9. 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.

  10. Long-Term Monitoring of Permeable Reactive Barriers - Progress Report

    SciTech Connect (OSTI)

    Liang, L.

    2001-04-12

    The purpose of this project is to conduct collaborative research to evaluate and maximize the effectiveness of permeable reactive barriers (PRBs) with a broad-based working group including representatives from the U.S. Department of Energy (DOE), U.S. Department of Defense (DoD), and the U.S. Environmental Protection Agency (EPA). The Naval Facilities Engineering Service Center (NFESC) and its project partner, Battelle, are leading the DoD effort with funding from DoD's Environmental Security Technology Certification Program (ESTCP) and Strategic Environmental Research and Development Program (SERDP). Oak Ridge National Laboratory (ORNL) is coordinating the DOE effort with support from Subsurface Contaminant Focus Area (SCFA), a research program under DOEs Office of Science and Technology. The National Risk Management Research Laboratory's Subsurface Protection and Remediation Division is leading EPA's effort. The combined effort of these three agencies allows the evaluation of a large number of sites. Documents generated by this joint project will be reviewed by the participating agencies' principal investigators, the Permeable Barriers Group of the Remediation Technologies Development Forum (RTDF), and the Interstate Technology and Regulatory Cooperation (ITRC). The technical objectives of this project are to collect and review existing field data at selected PRB sites, identify data gaps, conduct additional measurements, and provide recommendations to DOE users on suitable long-term monitoring strategies. The specific objectives are to (1) evaluate geochemical and hydraulic performance of PRBs, (2) develop guidelines for hydraulic and geochemical characterization/monitoring, and (3) devise and implement long-term monitoring strategies through the use of hydrological and geochemical models. Accomplishing these objectives will provide valuable information regarding the optimum configuration and lifetime of barriers at specific sites. It will also permit

  11. 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.

  12. 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

  13. 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

  14. 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.

  15. 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.

  16. 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

  17. TOUGH2: A general-purpose numerical simulator for multiphase nonisothermal flows

    SciTech Connect (OSTI)

    Pruess, K.

    1991-06-01

    Numerical simulators for multiphase fluid and heat flows in permeable media have been under development at Lawrence Berkeley Laboratory for more than 10 yr. Real geofluids contain noncondensible gases and dissolved solids in addition to water, and the desire to model such `compositional` systems led to the development of a flexible multicomponent, multiphase simulation architecture known as MULKOM. The design of MULKOM was based on the recognition that the mass-and energy-balance equations for multiphase fluid and heat flows in multicomponent systems have the same mathematical form, regardless of the number and nature of fluid components and phases present. Application of MULKOM to different fluid mixtures, such as water and air, or water, oil, and gas, is possible by means of appropriate `equation-of-state` (EOS) modules, which provide all thermophysical and transport parameters of the fluid mixture and the permeable medium as a function of a suitable set of primary thermodynamic variables. Investigations of thermal and hydrologic effects from emplacement of heat-generating nuclear wastes into partially water-saturated formations prompted the development and release of a specialized version of MULKOM for nonisothermal flow of water and air, named TOUGH. TOUGH is an acronym for `transport of unsaturated groundwater and heat` and is also an allusion to the tuff formations at Yucca Mountain, Nevada. The TOUGH2 code is intended to supersede TOUGH. It offers all the capabilities of TOUGH and includes a considerably more general subset of MULKOM modules with added capabilities. The paper briefly describes the simulation methodology and user features.

  18. 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

  19. 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.

  20. 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.

  1. Evaluation of multi-phase heat transfer and droplet evaporation in petroleum cracking flows

    SciTech Connect (OSTI)

    Chang, S.L.; Lottes, S.A.; Petrick, M.; Zhou, C.Q.

    1996-04-01

    A computer code ICRKFLO was used to simulate the multiphase reacting flow of fluidized catalytic cracking (FCC) riser reactors. The simulation provided a fundamental understanding of the hydrodynamics and heat transfer processes in an FCC riser reactor, critical to the development of a new high performance unit. The code was able to make predictions that are in good agreement with available pilot-scale test data. Computational results indicate that the heat transfer and droplet evaporation processes have a significant impact on the performance of a pilot-scale FCC unit. The impact could become even greater on scale-up units.

  2. Evaluation of multi-phase heat transfer and droplet evaporation in petroleum cracking flows

    SciTech Connect (OSTI)

    Chang, S.L.; Lottes, S.A.; Petrick, M.; Zhou, C.Q.

    1996-12-31

    A computer code ICRKFLO was used to simulate the multi-phase reacting flow of fluidized catalytic cracking (FCC) riser reactors. The simulation provided a fundamental understanding of the hydrodynamics and heat transfer processes in an FCC riser reactor, critical to the development of a new high performance unit. The code was able to make predictions that in good agreement with available pilot-scale test data. Computational results indicate that the heat transfer and droplet evaporation processes have a significant impact on the performance of a pilot-scale FCC unit. The impact could become even greater on scale-up units.

  3. Sampling device for withdrawing a representative sample from single and multi-phase flows

    DOE Patents [OSTI]

    Apley, Walter J. (Pasco, WA); Cliff, William C. (Richland, WA); Creer, James M. (Richland, WA)

    1984-01-01

    A fluid stream sampling device has been developed for the purpose of obtaining a representative sample from a single or multi-phase fluid flow. This objective is carried out by means of a probe which may be inserted into the fluid stream. Individual samples are withdrawn from the fluid flow by sampling ports with particular spacings, and the sampling parts are coupled to various analytical systems for characterization of the physical, thermal, and chemical properties of the fluid flow as a whole and also individually.

  4. 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

  5. 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

  6. 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

  7. 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.

  8. L3:THM.CFD.P9.05 Milestone Report Single/Multiphase CFD Assessment, Verification,

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

    Milestone Report Single/Multiphase CFD Assessment, Verification, and Validation Yidong Xia and Hong Luo North Carolina State University September 30, 2014 CASL-8-2014-0210-000 CASL-U-2014-0210-000 L3:THM.CFD.P9.05 Single/Multiphase CFD assessment, verification, and validation L3:THM.CFD.P9.05 milestone report Yidong Xia and Hong Luo Department of Mechanical and Aerospace Engineering North Carolina State University, Raleigh, NC, 27695, USA CASL-U-2014-0210-000 L3:THM.CFD.P9.05 On the performance

  9. Chemically and compositionally modified solid solution disordered multiphase nickel hydroxide positive electrode for alkaline rechargeable electrochemical cells

    DOE Patents [OSTI]

    Ovshinsky, Stanford R.; Corrigan, Dennis; Venkatesan, Srini; Young, Rosa; Fierro, Christian; Fetcenko, Michael A.

    1994-01-01

    A high capacity, long cycle life positive electrode for use in an alkaline rechargeable electrochemical cell comprising: a solid solution nickel hydroxide material having a multiphase structure that comprises at least one polycrystalline .gamma.-phase including a polycrystalline .gamma.-phase unit cell comprising spacedly disposed plates with at least one chemical modifier incorporated around the plates, the plates having a range of stable intersheet distances corresponding to a 2.sup.+ oxidation state and a 3.5.sup.+, or greater, oxidation state; and at least one compositional modifier incorporated into the solid solution nickel hydroxide material to promote the multiphase structure.

  10. Compressible, multiphase semi-implicit method with moment of fluid interface representation

    SciTech Connect (OSTI)

    Jemison, Matthew; Sussman, Mark; Arienti, Marco

    2014-09-16

    A unified method for simulating multiphase flows using an exactly mass, momentum, and energy conserving Cell-Integrated Semi-Lagrangian advection algorithm is presented. The deforming material boundaries are represented using the moment-of-fluid method. Our new algorithm uses a semi-implicit pressure update scheme that asymptotically preserves the standard incompressible pressure projection method in the limit of infinite sound speed. The asymptotically preserving attribute makes the new method applicable to compressible and incompressible flows including stiff materials; enabling large time steps characteristic of incompressible flow algorithms rather than the small time steps required by explicit methods. Moreover, shocks are captured and material discontinuities are tracked, without the aid of any approximate or exact Riemann solvers. As a result, wimulations of underwater explosions and fluid jetting in one, two, and three dimensions are presented which illustrate the effectiveness of the new algorithm at efficiently computing multiphase flows containing shock waves and material discontinuities with large “impedance mismatch.”

  11. Multi-phase CFD modeling of solid sorbent carbon capture system

    SciTech Connect (OSTI)

    Ryan, E. M.; DeCroix, D.; Breault, Ronald W.; Xu, W.; Huckaby, E. David

    2013-01-01

    Computational fluid dynamics (CFD) simulations are used to investigate a low temperature post-combustion carbon capture reactor. The CFD models are based on a small scale solid sorbent carbon capture reactor design from ADA-ES and Southern Company. The reactor is a fluidized bed design based on a silica-supported amine sorbent. CFD models using both Eulerian–Eulerian and Eulerian–Lagrangian multi-phase modeling methods are developed to investigate the hydrodynamics and adsorption of carbon dioxide in the reactor. Models developed in both FLUENT® and BARRACUDA are presented to explore the strengths and weaknesses of state of the art CFD codes for modeling multi-phase carbon capture reactors. The results of the simulations show that the FLUENT® Eulerian–Lagrangian simulations (DDPM) are unstable for the given reactor design; while the BARRACUDA Eulerian–Lagrangian model is able to simulate the system given appropriate simplifying assumptions. FLUENT® Eulerian–Eulerian simulations also provide a stable solution for the carbon capture reactor given the appropriate simplifying assumptions.

  12. Multi-Phase CFD Modeling of Solid Sorbent Carbon Capture System

    SciTech Connect (OSTI)

    Ryan, Emily M.; DeCroix, David; Breault, Ronald W.; Xu, Wei; Huckaby, E. D.; Saha, Kringan; Darteville, Sebastien; Sun, Xin

    2013-07-30

    Computational fluid dynamics (CFD) simulations are used to investigate a low temperature post-combustion carbon capture reactor. The CFD models are based on a small scale solid sorbent carbon capture reactor design from ADA-ES and Southern Company. The reactor is a fluidized bed design based on a silica-supported amine sorbent. CFD models using both Eulerian-Eulerian and Eulerian-Lagrangian multi-phase modeling methods are developed to investigate the hydrodynamics and adsorption of carbon dioxide in the reactor. Models developed in both FLUENT® and BARRACUDA are presented to explore the strengths and weaknesses of state of the art CFD codes for modeling multi-phase carbon capture reactors. The results of the simulations show that the FLUENT® Eulerian-Lagrangian simulations (DDPM) are unstable for the given reactor design; while the BARRACUDA Eulerian-Lagrangian model is able to simulate the system given appropriate simplifying assumptions. FLUENT® Eulerian-Eulerian simulations also provide a stable solution for the carbon capture reactor given the appropriate simplifying assumptions.

  13. Compressible, multiphase semi-implicit method with moment of fluid interface representation

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

    Jemison, Matthew; Sussman, Mark; Arienti, Marco

    2014-09-16

    A unified method for simulating multiphase flows using an exactly mass, momentum, and energy conserving Cell-Integrated Semi-Lagrangian advection algorithm is presented. The deforming material boundaries are represented using the moment-of-fluid method. Our new algorithm uses a semi-implicit pressure update scheme that asymptotically preserves the standard incompressible pressure projection method in the limit of infinite sound speed. The asymptotically preserving attribute makes the new method applicable to compressible and incompressible flows including stiff materials; enabling large time steps characteristic of incompressible flow algorithms rather than the small time steps required by explicit methods. Moreover, shocks are captured and material discontinuities aremore » tracked, without the aid of any approximate or exact Riemann solvers. As a result, wimulations of underwater explosions and fluid jetting in one, two, and three dimensions are presented which illustrate the effectiveness of the new algorithm at efficiently computing multiphase flows containing shock waves and material discontinuities with large “impedance mismatch.”« less

  14. Radiation stability test on multiphase glass ceramic and crystalline ceramic waste forms

    SciTech Connect (OSTI)

    Tang, Ming; Kossoy, Anna; Jarvinen, G. D.; Crum, Jarrod V.; Turo, Laura A.; Riley, Brian J.; Brinkman, Kyle; Fox, Kevin M.; Amoroso, Jake; Marra, James C.

    2014-02-03

    A radiation stability study was performed on glass ceramic and crystalline ceramic waste forms. These materials are candidate host materials for immobilizing alkali/alkaline earth (Cs/Sr-CS) + lanthanide (LN) + transition metal (TM) fission product waste streams from nuclear fuel reprocessing. In this study, glass ceramics were fabricated using a borosilicate glass as a matrix in which to incorporate CS/LN/TM combined waste streams. The major phases in these multiphase materials are powellite, oxyaptite, pollucite, celsian, and durable residual glass phases. Al2O3 and TiO2 were combined with these waste components to produce multiphase crystalline ceramics containing hollandite-type phases, perovskites, pyrochlores and other minor metal titanate phases. For the radiation stability test, selected glass ceramic and crystalline ceramic samples were exposed to different irradiation environments including low fluxes of high-energy (~1–5 MeV) protons and alpha particles generated by an ion accelerator, high fluxes of low-energy (hundreds of keV) krypton particles generated by an ion implanter, and in-situ electron irradiations in a transmission electron microscope. These irradiation experiments were performed to simulate self-radiation effects in a waste form. Ion irradiation-induced microstructural modifications were examined using X-ray diffraction and transmission electron microscopy. Our preliminary results reveal different radiation tolerance in different crystalline phases under various radiation damage environments. However, their stability may be rate dependent which may limit the waste loading that can be achieved.

  15. Mechanism-based Representative Volume Elements (RVEs) for Predicting Property Degradations in Multiphase Materials

    SciTech Connect (OSTI)

    Xu, Wei; Sun, Xin; Li, Dongsheng; Ryu, Seun; Khaleel, Mohammad A.

    2013-02-01

    Quantitative understanding of the evolving thermal-mechanical properties of a multi-phase material hinges upon the availability of quantitative statistically representative microstructure descriptions. Questions then arise as to whether a two-dimensional (2D) or a three-dimensional (3D) representative volume element (RVE) should be considered as the statistically representative microstructure. Although 3D models are more representative than 2D models in general, they are usually computationally expensive and difficult to be reconstructed. In this paper, we evaluate the accuracy of a 2D RVE in predicting the property degradations induced by different degradation mechanisms with the multiphase solid oxide fuel cell (SOFC) anode material as an example. Both 2D and 3D microstructure RVEs of the anodes are adopted to quantify the effects of two different degradation mechanisms: humidity-induced electrochemical degradation and phosphorus poisoning induced structural degradation. The predictions of the 2D model are then compared with the available experimental measurements and the results from the 3D model. It is found that the 2D model, limited by its inability of reproducing the realistic electrical percolation, is unable to accurately predict the degradation of thermo-electrical properties. On the other hand, for the phosphorus poisoning induced structural degradation, both 2D and 3D microstructures yield similar results, indicating that the 2D model is capable of providing computationally efficient yet accurate results for studying the structural degradation within the anodes.

  16. Practical aspects and uncertainty analysis of biological effective dose (BED) regarding its three-dimensional calculation in multiphase radiotherapy treatment plans

    SciTech Connect (OSTI)

    Kauweloa, Kevin I. Gutierrez, Alonso N.; Bergamo, Angelo; Stathakis, Sotirios; Papanikolaou, Nikos; Mavroidis, Panayiotis

    2014-07-15

    Purpose: There is a growing interest in the radiation oncology community to use the biological effective dose (BED) rather than the physical dose (PD) in treatment plan evaluation and optimization due to its stronger correlation with radiobiological effects. Radiotherapy patients may receive treatments involving a single only phase or multiple phases (e.g., primary and boost). Since most treatment planning systems cannot calculate the analytical BED distribution in multiphase treatments, an approximate multiphase BED expression, which is based on the total physical dose distribution, has been used. The purpose of this paper is to reveal the mathematical properties of the approximate BED formulation, relative to the true BED. Methods: The mathematical properties of the approximate multiphase BED equation are analyzed and evaluated. In order to better understand the accuracy of the approximate multiphase BED equation, the true multiphase BED equation was derived and the mathematical differences between the true and approximate multiphase BED equations were determined. The magnitude of its inaccuracies under common clinical circumstances was also studied. All calculations were performed on a voxel-by-voxel basis using the three-dimensional dose matrices. Results: Results showed that the approximate multiphase BED equation is accurate only when the dose-per-fractions (DPFs) in both the first and second phases are equal, which occur when the dose distribution does not significantly change between the phases. In the case of heterogeneous dose distributions, which significantly vary between the phases, there are fewer occurrences of equal DPFs and hence the inaccuracy of the approximate multiphase BED is greater. These characteristics are usually seen in the dose distributions being delivered to organs at risk rather than to targets. Conclusions: The finding of this study indicates that the true multiphase BED equation should be implemented in the treatment planning

  17. Fuel Temperature Coefficient of Reactivity

    SciTech Connect (OSTI)

    Loewe, W.E.

    2001-07-31

    A method for measuring the fuel temperature coefficient of reactivity in a heterogeneous nuclear reactor is presented. The method, which is used during normal operation, requires that calibrated control rods be oscillated in a special way at a high reactor power level. The value of the fuel temperature coefficient of reactivity is found from the measured flux responses to these oscillations. Application of the method in a Savannah River reactor charged with natural uranium is discussed.

  18. AOI 1— COMPUTATIONAL ENERGY SCIENCES:MULTIPHASE FLOW RESEARCH High-fidelity multi-phase radiation module for modern coal combustion systems

    SciTech Connect (OSTI)

    Modest, Michael

    2013-11-15

    The effects of radiation in particle-laden flows were the object of the present research. The presence of particles increases optical thickness substantially, making the use of the “optically thin” approximation in most cases a very poor assumption. However, since radiation fluxes peak at intermediate optical thicknesses, overall radiative effects may not necessarily be stronger than in gas combustion. Also, the spectral behavior of particle radiation properties is much more benign, making spectral models simpler (and making the assumption of a gray radiator halfway acceptable, at least for fluidized beds when gas radiation is not large). On the other hand, particles scatter radiation, making the radiative transfer equation (RTE) much more di fficult to solve. The research carried out in this project encompassed three general areas: (i) assessment of relevant radiation properties of particle clouds encountered in fluidized bed and pulverized coal combustors, (ii) development of proper spectral models for gas–particulate mixtures for various types of two-phase combustion flows, and (iii) development of a Radiative Transfer Equation (RTE) solution module for such applications. The resulting models were validated against artificial cases since open literature experimental data were not available. The final models are in modular form tailored toward maximum portability, and were incorporated into two research codes: (i) the open-source CFD code OpenFOAM, which we have extensively used in our previous work, and (ii) the open-source multi-phase flow code MFIX, which is maintained by NETL.

  19. 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

  20. 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.

  1. 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

  2. Exploratory simulations of multiphase effects in gas injection and ventilation tests in an underground rock laboratory

    SciTech Connect (OSTI)

    Finsterle, S. . Versuchsanstalt fuer Wasserbau, Hydrologie und Glaciologie); Schlueter, E.; Pruess, K. )

    1990-06-01

    This report is one of a series documenting the results of the Nagra-DOE Cooperative (NDC-I) research program in which the cooperating scientists explore the geological, geophysical, hydrological, geochemical, and structural effects was sponsored by the US Department of Energy (DOE) through the Lawrence Berkeley Laboratory (LBL) and the Swiss Nationale Genossenschaft fuer die Lagerung radioaktiver Abfaella (Nagra) and concluded in September 1989. 16 refs., 29 figs., 4 tabs.

  3. 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...

  4. Improved Geothermometry Through Multivariate Reaction Path Modeling and Evaluation of Geomicrobiological Influences on Geochemical Temperature Indicators

    Broader source: Energy.gov [DOE]

    Improved Geothermometry Through Multivariate Reaction Path Modeling and Evaluation of Geomicrobiological Influences on Geochemical Temperature Indicators presentation at the April 2013 peer review meeting held in Denver, Colorado.

  5. New Mexico Play Fairway Analysis: New Mexico available wells for geochemical sampling

    SciTech Connect (OSTI)

    Jeff Pepin

    2015-11-15

    This is a map package that is used to show the wells in New Mexico that may be available for geochemical sampling.

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

    Broader source: Energy.gov [DOE]

    Optimizing parameters for predicting the geochemical behavior and performance of discrete fracture networks in geothermal systems presentation at the April 2013 peer review meeting held in Denver, Colorado.

  7. Progress in the Development of Compressible, Multiphase Flow Modeling Capability for Nuclear Reactor Flow Applications

    SciTech Connect (OSTI)

    R. A. Berry; R. Saurel; F. Petitpas; E. Daniel; O. Le Metayer; S. Gavrilyuk; N. Dovetta

    2008-10-01

    In nuclear reactor safety and optimization there are key issues that rely on in-depth understanding of basic two-phase flow phenomena with heat and mass transfer. Within the context of multiphase flows, two bubble-dynamic phenomena boiling (heterogeneous) and flashing or cavitation (homogeneous boiling), with bubble collapse, are technologically very important to nuclear reactor systems. The main difference between boiling and flashing is that bubble growth (and collapse) in boiling is inhibited by limitations on the heat transfer at the interface, whereas bubble growth (and collapse) in flashing is limited primarily by inertial effects in the surrounding liquid. The flashing process tends to be far more explosive (and implosive), and is more violent and damaging (at least in the near term) than the bubble dynamics of boiling. However, other problematic phenomena, such as crud deposition, appear to be intimately connecting with the boiling process. In reality, these two processes share many details.

  8. Numerical Investigation of Vertical Plunging Jet Using a Hybrid Multifluid–VOF Multiphase CFD Solver

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

    Shonibare, Olabanji Y.; Wardle, Kent E.

    2015-01-01

    A novel hybrid multiphase flow solver has been used to conduct simulations of a vertical plunging liquid jet. This solver combines a multifluid methodology with selective interface sharpening to enable simulation of both the initial jet impingement and the long-time entrained bubble plume phenomena. Models are implemented for variable bubble size capturing and dynamic switching of interface sharpened regions to capture transitions between the initially fully segregated flow types into the dispersed bubbly flow regime. It was found that the solver was able to capture the salient features of the flow phenomena under study and areas for quantitative improvement havemore » been explored and identified. In particular, a population balance approach is employed and detailed calibration of the underlying models with experimental data is required to enable quantitative prediction of bubble size and distribution to capture the transition between segregated and dispersed flow types with greater fidelity.« less

  9. Integrated acoustic phase separator and multiphase fluid composition monitoring apparatus and method

    DOE Patents [OSTI]

    Sinha, Dipen N

    2014-02-04

    An apparatus and method for down hole gas separation from the multiphase fluid flowing in a wellbore or a pipe, for determining the quantities of the individual components of the liquid and the flow rate of the liquid, and for remixing the component parts of the fluid after which the gas volume may be measured, without affecting the flow stream, are described. Acoustic radiation force is employed to separate gas from the liquid, thereby permitting measurements to be separately made for these two components; the liquid (oil/water) composition is determined from ultrasonic resonances; and the gas volume is determined from capacitance measurements. Since the fluid flows around and through the component parts of the apparatus, there is little pressure difference, and no protection is required from high pressure differentials.

  10. Circulating fluidized bed hydrodynamics experiments for the multiphase fluid dynamics research consortium (MFDRC).

    SciTech Connect (OSTI)

    Oelfke, John Barry; Torczynski, John Robert; O'Hern, Timothy John; Tortora, Paul Richard; Bhusarapu, Satish; Trujillo, Steven Mathew

    2006-08-01

    An experimental program was conducted to study the multiphase gas-solid flow in a pilot-scale circulating fluidized bed (CFB). This report describes the CFB experimental facility assembled for this program, the diagnostics developed and/or applied to make measurements in the riser section of the CFB, and the data acquired for several different flow conditions. Primary data acquired included pressures around the flow loop and solids loadings at selected locations in the riser. Tomographic techniques using gamma radiation and electrical capacitance were used to determine radial profiles of solids volume fraction in the riser, and axial profiles of the integrated solids volume fraction were produced. Computer Aided Radioactive Particle Tracking was used to measure solids velocities, fluxes, and residence time distributions. In addition, a series of computational fluid dynamics simulations was performed using the commercial code Arenaflow{trademark}.

  11. Ultrasonic tomography for in-process measurements of temperature in a multi-phase medium

    DOE Patents [OSTI]

    Beller, L.S.

    1993-01-26

    A method and apparatus are described for the in-process measurement of internal particulate temperature utilizing ultrasonic tomography techniques to determine the speed of sound through a specimen material. Ultrasonic pulses are transmitted through a material, which can be a multi-phase material, over known flight paths and the ultrasonic pulse transit times through all sectors of the specimen are measured to determine the speed of sound. The speed of sound being a function of temperature, it is possible to establish the correlation between speed of sound and temperature, throughout a cross-section of the material, which correlation is programmed into a computer to provide for a continuous in-process measurement of temperature throughout the specimen.

  12. Ultrasonic tomography for in-process measurements of temperature in a multi-phase medium

    DOE Patents [OSTI]

    Beller, Laurence S.

    1993-01-01

    A method and apparatus for the in-process measurement of internal particulate temperature utilizing ultrasonic tomography techniques to determine the speed of sound through a specimen material. Ultrasonic pulses are transmitted through a material, which can be a multi-phase material, over known flight paths and the ultrasonic pulse transit times through all sectors of the specimen are measured to determine the speed of sound. The speed of sound being a function of temperature, it is possible to establish the correlation between speed of sound and temperature, throughout a cross-section of the material, which correlation is programmed into a computer to provide for a continuous in-process measurement of temperature throughout the specimen.

  13. Investigation of Multiscale and Multiphase Flow, Transport and Reaction in Heavy Oil Recovery Processes

    SciTech Connect (OSTI)

    Yortsos, Y.C.

    2001-05-29

    This report is an investigation of various multi-phase and multiscale transport and reaction processes associated with heavy oil recovery. The thrust areas of the project include the following: Internal drives, vapor-liquid flows, combustion and reaction processes, fluid displacements and the effect of instabilities and heterogeneities and the flow of fluids with yield stress. These find respective applications in foamy oils, the evolution of dissolved gas, internal steam drives, the mechanics of concurrent and countercurrent vapor-liquid flows, associated with thermal methods and steam injection, such as SAGD, the in-situ combustion, the upscaling of displacements in heterogeneous media and the flow of foams, Bingham plastics and heavy oils in porous media and the development of wormholes during cold production.

  14. Investigation of Multiscale and Multiphase Flow, Transport and Reaction in Heavy Oil Recovery Processes

    SciTech Connect (OSTI)

    Yortsos, Yanis C.

    2001-08-07

    This project is an investigation of various multi-phase and multiscale transport and reaction processes associated with heavy oil recovery. The thrust areas of the project include the following: Internal drives, vapor-liquid flows, combustion and reaction processes, fluid displacements and the effect of instabilities and heterogeneities and the flow of fluids with yield stress. These find respective applications in foamy oils, the evolution of dissolved gas, internal steam drives, the mechanics of concurrent and countercurrent vapor-liquid flows, associated with thermal methods and steam injection, such as SAGD, the in-situ combustion, the upscaling of displacements in heterogeneous media and the flow of foams, Bingham plastics and heavy oils in porous media and the development of wormholes during cold production.

  15. Liquid-based gating mechanism with tunable multiphase selectivity and antifouling behaviour

    SciTech Connect (OSTI)

    Hou, Xu; Hu, Yuhang; Grinthal, Alison; Khan, Mughees; Aizenberg, Joanna

    2015-03-04

    Living organisms make extensive use of micro- and nanometre-sized pores as gatekeepers for controlling the movement of fluids, vapours and solids between complex environments. In addition, the ability of such pores to coordinate multiphase transport, in a highly selective and subtly triggered fashion and without clogging, has inspired interest in synthetic gated pores for applications ranging from fluid processing to 3D printing and lab-on-chip systems1-10.But although specific gating and transport behaviours have been realized by precisely tailoring pore surface chemistries and pore geometries6,1117, a single system capable of controlling complex, selective multiphase transport has remained a distant prospect, and fouling is nearly inevitable.Here we introduce a gating mechanism that uses a capillary-stabilized liquid as a reversible, reconfigurable gate that fills and seals pores in the closed state, and creates a non-fouling, liquid-lined pore in the open state.Theoretical modelling and experiments demonstrate that for each transport substance, the gating thresholdthe pressure needed to open the porescan be rationally tuned over a wide pressure range. This enables us to realize in one system differential response profiles for a variety of liquids and gases, even letting liquids flow through the pore while preventing gas from escaping.These capabilities allow us to dynamically modulate gasliquid sorting in a microfluidic flow and to separate a three-phase air wateroil mixture, with the liquid lining ensuring sustained antifouling behaviour. Because the liquid gating strategy enables efficient long-term operation and can be applied to a variety of pore structures and membrane materials, and to micro- as well as macroscale fluid systems, we expect it to prove useful in a wide range of applications.

  16. DENSE MULTIPHASE FLOW SIMULATION: CONTINUUM MODEL FOR POLY-DISPERSED SYSTEMS USING KINETIC THEORY

    SciTech Connect (OSTI)

    Moses Bogere

    2011-08-31

    The overall objective of the project was to verify the applicability of the FCMOM approach to the kinetic equations describing the particle flow dynamics. For monodispersed systems the fundamental equation governing the particle flow dynamics is the Boltzmann equation. During the project, the FCMOM was successfully applied to several homogeneous and in-homogeneous problems in different flow regimes, demonstrating that the FCMOM has the potential to be used to solve efficiently the Boltzmann equation. However, some relevant issues still need to be resolved, i.e. the homogeneous cooling problem (inelastic particles cases) and the transition between different regimes. In this report, the results obtained in homogeneous conditions are discussed first. Then a discussion of the validation results for in-homogeneous conditions is provided. And finally, a discussion will be provided about the transition between different regimes. Alongside the work on development of FCMOM approach studies were undertaken in order to provide insights into anisotropy or particles kinetics in riser hydrodynamics. This report includes results of studies of multiphase flow with unequal granular temperatures and analysis of momentum re-distribution in risers due to particle-particle and fluid-particle interactions. The study of multiphase flow with unequal granular temperatures entailed both simulation and experimental studies of two particles sizes in a riser and, a brief discussion of what was accomplished will be provided. And finally, a discussion of the analysis done on momentum re-distribution of gas-particles flow in risers will be provided. In particular a discussion of the remaining work needed in order to improve accuracy and predictability of riser hydrodynamics based on two-fluid models and how they can be used to model segregation in risers.

  17. Liquid-based gating mechanism with tunable multiphase selectivity and antifouling behaviour

    SciTech Connect (OSTI)

    Hou, X; Hu, YH; Grinthal, A; Khan, M; Aizenberg, J

    2015-03-04

    Living organisms make extensive use of micro- and nanometre-sized pores as gatekeepers for controlling the movement of fluids, vapours and solids between complex environments. The ability of such pores to coordinate multiphase transport, in a highly selective and subtly triggered fashion and without clogging, has inspired interest in synthetic gated pores for applications ranging from fluid processing to 3D printing and lab-on-chip systems(1-10). But although specific gating and transport behaviours have been realized by precisely tailoring pore surface chemistries and pore geometries(6,11-17), a single system capable of controlling complex, selective multiphase transport has remained a distant prospect, and fouling is nearly inevitable(11,12). Here we introduce a gating mechanism that uses a capillary-stabilized liquid as a reversible, reconfigurable gate that fills and seals pores in the closed state, and creates a non-fouling, liquid-lined pore in the open state. Theoretical modelling and experiments demonstrate that for each transport substance, the gating threshold-the pressure needed to open the pores-can be rationally tuned over a wide pressure range. This enables us to realize in one system differential response profiles for a variety of liquids and gases, even letting liquids flow through the pore while preventing gas from escaping. These capabilities allow us to dynamically modulate gas-liquid sorting in a microfluidic flow and to separate a three-phase air-water-oil mixture, with the liquid lining ensuring sustained antifouling behaviour. Because the liquid gating strategy enables efficient long-term operation and can be applied to a variety of pore structures and membrane materials, and to micro- as well as macroscale fluid systems, we expect it to prove useful in a wide range of applications.

  18. Liquid-based gating mechanism with tunable multiphase selectivity and antifouling behaviour

    SciTech Connect (OSTI)

    Hou, Xu; Hu, Yuhang; Grinthal, Alison; Khan, Mughees; Aizenberg, Joanna

    2015-03-04

    Living organisms make extensive use of micro- and nanometre-sized pores as gatekeepers for controlling the movement of fluids, vapours and solids between complex environments. In addition, the ability of such pores to coordinate multiphase transport, in a highly selective and subtly triggered fashion and without clogging, has inspired interest in synthetic gated pores for applications ranging from fluid processing to 3D printing and lab-on-chip systems1-10.But although specific gating and transport behaviours have been realized by precisely tailoring pore surface chemistries and pore geometries6,11–17, a single system capable of controlling complex, selective multiphase transport has remained a distant prospect, and fouling is nearly inevitable.Here we introduce a gating mechanism that uses a capillary-stabilized liquid as a reversible, reconfigurable gate that fills and seals pores in the closed state, and creates a non-fouling, liquid-lined pore in the open state.Theoretical modelling and experiments demonstrate that for each transport substance, the gating threshold—the pressure needed to open the pores—can be rationally tuned over a wide pressure range. This enables us to realize in one system differential response profiles for a variety of liquids and gases, even letting liquids flow through the pore while preventing gas from escaping.These capabilities allow us to dynamically modulate gas–liquid sorting in a microfluidic flow and to separate a three-phase air water–oil mixture, with the liquid lining ensuring sustained antifouling behaviour. Because the liquid gating strategy enables efficient long-term operation and can be applied to a variety of pore structures and membrane materials, and to micro- as well as macroscale fluid systems, we expect it to prove useful in a wide range of applications.

  19. Method and system for measuring multiphase flow using multiple pressure differentials

    DOE Patents [OSTI]

    Fincke, James R.

    2001-01-01

    An improved method and system for measuring a multiphase flow in a pressure flow meter. An extended throat venturi is used and pressure of the multiphase flow is measured at three or more positions in the venturi, which define two or more pressure differentials in the flow conduit. The differential pressures are then used to calculate the mass flow of the gas phase, the total mass flow, and the liquid phase. The method for determining the mass flow of the high void fraction fluid flow and the gas flow includes certain steps. The first step is calculating a gas density for the gas flow. The next two steps are finding a normalized gas mass flow rate through the venturi and computing a gas mass flow rate. The following step is estimating the gas velocity in the venturi tube throat. The next step is calculating the pressure drop experienced by the gas-phase due to work performed by the gas phase in accelerating the liquid phase between the upstream pressure measuring point and the pressure measuring point in the venturi throat. Another step is estimating the liquid velocity in the venturi throat using the calculated pressure drop experienced by the gas-phase due to work performed by the gas phase. Then the friction is computed between the liquid phase and a wall in the venturi tube. Finally, the total mass flow rate based on measured pressure in the venturi throat is calculated, and the mass flow rate of the liquid phase is calculated from the difference of the total mass flow rate and the gas mass flow rate.

  20. Liquid-based gating mechanism with tunable multiphase selectivity and antifouling behaviour

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

    Hou, Xu; Hu, Yuhang; Grinthal, Alison; Khan, Mughees; Aizenberg, Joanna

    2015-03-04

    Living organisms make extensive use of micro- and nanometre-sized pores as gatekeepers for controlling the movement of fluids, vapours and solids between complex environments. In addition, the ability of such pores to coordinate multiphase transport, in a highly selective and subtly triggered fashion and without clogging, has inspired interest in synthetic gated pores for applications ranging from fluid processing to 3D printing and lab-on-chip systems1-10.But although specific gating and transport behaviours have been realized by precisely tailoring pore surface chemistries and pore geometries6,11–17, a single system capable of controlling complex, selective multiphase transport has remained a distant prospect, and foulingmore » is nearly inevitable.Here we introduce a gating mechanism that uses a capillary-stabilized liquid as a reversible, reconfigurable gate that fills and seals pores in the closed state, and creates a non-fouling, liquid-lined pore in the open state.Theoretical modelling and experiments demonstrate that for each transport substance, the gating threshold—the pressure needed to open the pores—can be rationally tuned over a wide pressure range. This enables us to realize in one system differential response profiles for a variety of liquids and gases, even letting liquids flow through the pore while preventing gas from escaping.These capabilities allow us to dynamically modulate gas–liquid sorting in a microfluidic flow and to separate a three-phase air water–oil mixture, with the liquid lining ensuring sustained antifouling behaviour. Because the liquid gating strategy enables efficient long-term operation and can be applied to a variety of pore structures and membrane materials, and to micro- as well as macroscale fluid systems, we expect it to prove useful in a wide range of applications.« less

  1. Nitrate Biogeochemistry and Reactive Transport in California Groundwater: LDRD Final Report

    SciTech Connect (OSTI)

    Esser, B K; Beller, H; Carle, S; Cey, B; Hudson, G B; Leif, R; LeTain, T; Moody-Bartel, C; Moore, K; McNab, W; Moran, J; Tompson, A

    2006-02-24

    Nitrate is the number one drinking water contaminant in the United States. It is pervasive in surface and groundwater systems,and its principal anthropogenic sources have increased dramatically in the last 50 years. In California alone, one third of the public drinking-water wells has been lost since 1988 and nitrate contamination is the most common reason for abandonment. Effective nitrate management in groundwater is complicated by uncertainties related to multiple point and non-point sources, hydrogeologic complexity, geochemical reactivity, and quantification of denitrification processes. In this paper, we review an integrated experimental and simulation-based framework being developed to study the fate of nitrate in a 25 km-long groundwater subbasin south of San Jose, California, a historically agricultural area now undergoing rapid urbanization with increasing demands for groundwater. The modeling approach is driven by a need to integrate new and archival data that support the hypothesis that nitrate fate and transport at the basin scale is intricately related to hydrostratigraphic complexity, variability of flow paths and groundwater residence times, microbial activity, and multiple geochemical reaction mechanisms. This study synthesizes these disparate and multi-scale data into a three-dimensional and highly resolved reactive transport modeling framework.

  2. DETERMINATION OF SPECIFIC NEUTRONIC REACTIVITY

    DOE Patents [OSTI]

    Dessauer, G.

    1960-05-10

    A method is given for production-line determination of the specific neutronic reactivity of such objects as individual nuclear fuel or neutron absorber elements and is notable for rapidity and apparatus simplicity. The object is incorporated in a slightly sub-critical chain fission reactive assembly having a discrete neutron source, thereby establishing a K/sub eff/ within the crucial range of 0.95 to 0.995. The range was found to afford, uniquely, flux- transient damped response in a niatter of seconds simultaneously with acceptable analytical sensitivity. The resulting neutron flux measured at a situs spaced from both object and source within the assembly serves as a calibrable indication of said reactivity.

  3. 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.

  4. Fluid-rock interaction: A reactive transport approach

    SciTech Connect (OSTI)

    Steefel, C.; Maher, K.

    2009-04-01

    Fluid-rock interaction (or water-rock interaction, as it was more commonly known) is a subject that has evolved considerably in its scope over the years. Initially its focus was primarily on interactions between subsurface fluids of various temperatures and mostly crystalline rocks, but the scope has broadened now to include fluid interaction with all forms of subsurface materials, whether they are unconsolidated or crystalline ('fluid-solid interaction' is perhaps less euphonious). Disciplines that previously carried their own distinct names, for example, basin diagenesis, early diagenesis, metamorphic petrology, reactive contaminant transport, chemical weathering, are now considered to fall under the broader rubric of fluid-rock interaction, although certainly some of the key research questions differ depending on the environment considered. Beyond the broadening of the environments considered in the study of fluid-rock interaction, the discipline has evolved in perhaps an even more important way. The study of water-rock interaction began by focusing on geochemical interactions in the absence of transport processes, although a few notable exceptions exist (Thompson 1959; Weare et al. 1976). Moreover, these analyses began by adopting a primarily thermodynamic approach, with the implicit or explicit assumption of equilibrium between the fluid and rock. As a result, these early models were fundamentally static rather than dynamic in nature. This all changed with the seminal papers by Helgeson and his co-workers (Helgeson 1968; Helgeson et al. 1969) wherein the concept of an irreversible reaction path was formally introduced into the geochemical literature. In addition to treating the reaction network as a dynamically evolving system, the Helgeson studies introduced an approach that allowed for the consideration of a multicomponent geochemical system, with multiple minerals and species appearing as both reactants and products, at least one of which could be

  5. 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 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 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

  6. 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

  7. Multi-Phased, Post-Accident Support of the Fukushima Dai-Ichi Nuclear Power Plant - 12246

    SciTech Connect (OSTI)

    Gay, Arnaud; Gillet, Philippe; Ytournel, Bertrand; Varet, Thierry; David, Laurent; Prevost, Thierry; Redonnet, Carol; Piot, Gregoire; Jouaville, Stephane; Pagis, Georges

    2012-07-01

    operation results to date. AREVA's response to the Fukushima Dai-Ichi crisis was multi-phased: emergency aid and relief supply was sent within days after the accident; AREVA-Veolia engineering teams designed and implemented a water treatment solution in record time, only 3 months; and AREVA continues to support TEPCO and propose solutions for waste management, soil remediation and decontamination of the Fukushima Dai-Ichi site. Despite the huge challenges, the Actiflo{sup TM}-Rad project has been a success: the water treatment unit started on time and performed as expected. The performance is the result of many key elements: AREVA expertise in radioactive effluents decontamination, Veolia know-how in water treatment equipments in crisis environment, and of course AREVA and Veolia teams' creativity. The project success is also due to AREVA and Veolia teams' reactivity and high level of commitment with engineering teams working 24/7 in Japan, France and Germany. AREVA and Veolia deep knowledge of the Japanese industry ensured that the multi-cultural exchanges were not an issue. Finally the excellent overall project management and execution by TEPCO and other Japanese stakeholders was very efficient. The emergency water treatment was a key step of the roadmap towards restoration from the accident at Fukushima Dai-Ichi that TEPCO designed and keeps executing with success. (authors)

  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. 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.

  10. Phosphorous adsorption and precipitation in a permeable reactive wall: Applications for wastewater disposal systems

    SciTech Connect (OSTI)

    Baker, M.J.; Blowes, D.W. |; Placek, C.J. |

    1997-12-31

    A permeable reactive mixture has been developed using low cost, readily available materials that is capable of providing effective, long-term phosphorous treatment in areas impacted by on-land wastewater disposal. The reactive mixture creates a geochemical environment suitable for P-attenuation by both adsorption and precipitation reactions. Potential benefits include significant reductions in phosphorous loading to receiving groundwater and surface water systems, and the accumulation of P-mass in a finite and accessible volume of material. The mixture may be applied as a component within surface treatment systems or in subsurface applications such as horizontal or vertical permeable reactive walls. The mixture averaged > 90% treatment efficiency over 3.6 years of continuous-flow laboratory column experiments. The mixture was further evaluated at the pilot-scale to treat municipal wastewater, and the field-scale to treat a well-characterized septic system plume using an in situ funnel and gate system. Average PO{sub 4}-P concentrations in effluent exiting the reactive mixture range between 0 - 0.3 mg/L. Mineralogical analyses have isolated the phases responsible for phosphorous uptake, and discrete phosphate precipitates have been identified.

  11. FINAL PROJECT REPORT DOE Early Career Principal Investigator Program Project Title: Developing New Mathematical Models for Multiphase Flows Based on a Fundamental Probability Density Function Approach

    SciTech Connect (OSTI)

    Shankar Subramaniam

    2009-04-01

    This final project report summarizes progress made towards the objectives described in the proposal entitled “Developing New Mathematical Models for Multiphase Flows Based on a Fundamental Probability Density Function Approach”. Substantial progress has been made in theory, modeling and numerical simulation of turbulent multiphase flows. The consistent mathematical framework based on probability density functions is described. New models are proposed for turbulent particle-laden flows and sprays.

  12. 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).

  13. 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).

  14. 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%.

  15. Application of a geocentrifuge and sterolithographically fabricated apertures to multiphase flow in complex fracture apertures.

    SciTech Connect (OSTI)

    Glenn E. McCreery; Robert D. Stedtfeld; Alan T. Stadler; Daphne L. Stoner; Paul Meakin

    2005-09-01

    A geotechnical centrifuge was used to investigate unsaturated multiphase fluid flow in synthetic fracture apertures under a variety of flow conditions. The geocentrifuge subjected the fluids to centrifugal forces allowing the Bond number to be systematically changed without adjusting the fracture aperture of the fluids. The fracture models were based on the concept that surfaces generated by the fracture of brittle geomaterials have a self-affine fractal geometry. The synthetic fracture surfaces were fabricated from a transparent epoxy photopolymer using sterolithography, and fluid flow through the transparent fracture models was monitored by an optical image acquisition system. Aperture widths were chosen to be representative of the wide range of geological fractures in the vesicular basalt that lies beneath the Idaho Nation Laboratory (INL). Transitions between different flow regimes were observed as the acceleration was changed under constant flow conditions. The experiments showed the transition between straight and meandering rivulets in smooth walled apertures (aperture width = 0.508 mm), the dependence of the rivulet width on acceleration in rough walled fracture apertures (average aperture width = 0.25 mm), unstable meandering flow in rough walled apertures at high acceleration (20g) and the narrowing of the wetted region with increasing acceleration during the penetration of water into an aperture filled with wetted particles (0.875 mm diameter glass spheres).

  16. Multiphase flow simulations of a moving fluidized bed regenerator in a carbon capture unit

    SciTech Connect (OSTI)

    Sarkar, Avik; Pan, Wenxiao; Suh, Dong-Myung; Huckaby, E. D.; Sun, Xin

    2014-10-01

    To accelerate the commercialization and deployment of carbon capture technologies, computational fluid dynamics (CFD)-based tools may be used to model and analyze the performance of carbon capture devices. This work presents multiphase CFD-based flow simulations for the regeneration device responsible for extracting CO2 from CO2-loaded sorbent particles before the particles are recycled. The use of solid particle sorbents in this design is a departure from previously reported systems, where aqueous sorbents are employed. Another new feature is the inclusion of a series of perforated plates along the regenerator height. The influence of these plates on sorbent distribution is examined for varying sorbent holdup, fluidizing gas velocity, and particle size. The residence time distribution of sorbents is also measured to classify the low regime as plug flow or well-mixed flow. The purpose of this work is to better understand the sorbent flow characteristics before reaction kinetics of CO2 desorption can be implemented.

  17. Sub-grid drag models for horizontal cylinder arrays immersed in gas-particle multiphase flows

    SciTech Connect (OSTI)

    Sarkar, Avik; Sun, Xin; Sundaresan, Sankaran

    2013-09-08

    Immersed cylindrical tube arrays often are used as heat exchangers in gas-particle fluidized beds. In multiphase computational fluid dynamics (CFD) simulations of large fluidized beds, explicit resolution of small cylinders is computationally infeasible. Instead, the cylinder array may be viewed as an effective porous medium in coarse-grid simulations. The cylinders' influence on the suspension as a whole, manifested as an effective drag force, and on the relative motion between gas and particles, manifested as a correction to the gas-particle drag, must be modeled via suitable sub-grid constitutive relationships. In this work, highly resolved unit-cell simulations of flow around an array of horizontal cylinders, arranged in a staggered configuration, are filtered to construct sub-grid, or `filtered', drag models, which can be implemented in coarse-grid simulations. The force on the suspension exerted by the cylinders is comprised of, as expected, a buoyancy contribution, and a kinetic component analogous to fluid drag on a single cylinder. Furthermore, the introduction of tubes also is found to enhance segregation at the scale of the cylinder size, which, in turn, leads to a reduction in the filtered gas-particle drag.

  18. MODELING COUPLED PROCESSES OF MULTIPHASE FLOW AND HEAT TRANSFER IN UNSATURATED FRACTURED ROCK

    SciTech Connect (OSTI)

    Y. Wu; S. Mukhopadhyay; K. Zhang; G.S. Bodvarsson

    2006-02-28

    A mountain-scale, thermal-hydrologic (TH) numerical model is developed for investigating unsaturated flow behavior in response to decay heat from the radioactive waste repository at Yucca Mountain, Nevada, USA. The TH model, consisting of three-dimensional (3-D) representations of the unsaturated zone, is based on the current repository design, drift layout, and thermal loading scenario under estimated current and future climate conditions. More specifically, the TH model implements the current geological framework and hydrogeological conceptual models, and incorporates the most updated, best-estimated input parameters. This mountain-scale TH model simulates the coupled TH processes related to mountain-scale multiphase fluid flow, and evaluates the impact of radioactive waste heat on the hydrogeological system, including thermally perturbed liquid saturation, gas- and liquid-phase fluxes, and water and rock temperature elevations, as well as the changes in water flux driven by evaporation/condensation processes and drainage between drifts. For a better description of the ambient geothermal condition of the unsaturated zone system, the TH model is first calibrated against measured borehole temperature data. The ambient temperature calibration provides the necessary surface and water table boundary as well as initial conditions. Then, the TH model is used to obtain scientific understanding of TH processes in the Yucca Mountain unsaturated zone under the designed schedule of repository thermal load.

  19. Parameter estimation from flowing fluid temperature logging data in unsaturated fractured rock using multiphase inverse modeling

    SciTech Connect (OSTI)

    Mukhopadhyay, S.; Tsang, Y.; Finsterle, S.

    2009-01-15

    A simple conceptual model has been recently developed for analyzing pressure and temperature data from flowing fluid temperature logging (FFTL) in unsaturated fractured rock. Using this conceptual model, we developed an analytical solution for FFTL pressure response, and a semianalytical solution for FFTL temperature response. We also proposed a method for estimating fracture permeability from FFTL temperature data. The conceptual model was based on some simplifying assumptions, particularly that a single-phase airflow model was used. In this paper, we develop a more comprehensive numerical model of multiphase flow and heat transfer associated with FFTL. Using this numerical model, we perform a number of forward simulations to determine the parameters that have the strongest influence on the pressure and temperature response from FFTL. We then use the iTOUGH2 optimization code to estimate these most sensitive parameters through inverse modeling and to quantify the uncertainties associated with these estimated parameters. We conclude that FFTL can be utilized to determine permeability, porosity, and thermal conductivity of the fracture rock. Two other parameters, which are not properties of the fractured rock, have strong influence on FFTL response. These are pressure and temperature in the borehole that were at equilibrium with the fractured rock formation at the beginning of FFTL. We illustrate how these parameters can also be estimated from FFTL data.

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

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

    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...

  1. Dynamic modeling of injection-induced fault reactivation and ground motion and impact on surface structures and human perception

    SciTech Connect (OSTI)

    Rutqvist, Jonny; Cappa, Frederic; Rinaldi, Antonio P.; Godano, Maxime

    2014-12-31

    We summarize recent modeling studies of injection-induced fault reactivation, seismicity, and its potential impact on surface structures and nuisance to the local human population. We used coupled multiphase fluid flow and geomechanical numerical modeling, dynamic wave propagation modeling, seismology theories, and empirical vibration criteria from mining and construction industries. We first simulated injection-induced fault reactivation, including dynamic fault slip, seismic source, wave propagation, and ground vibrations. From co-seismic average shear displacement and rupture area, we determined the moment magnitude to about Mw = 3 for an injection-induced fault reactivation at a depth of about 1000 m. We then analyzed the ground vibration results in terms of peak ground acceleration (PGA), peak ground velocity (PGV), and frequency content, with comparison to the U.S. Bureau of Mines vibration criteria for cosmetic damage to buildings, as well as human-perception vibration limits. For the considered synthetic Mw = 3 event, our analysis showed that the short duration, high frequency ground motion may not cause any significant damage to surface structures, and would not cause, in this particular case, upward CO2 leakage, but would certainly be felt by the local population.

  2. Dynamic modeling of injection-induced fault reactivation and ground motion and impact on surface structures and human perception

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

    Rutqvist, Jonny; Cappa, Frederic; Rinaldi, Antonio P.; Godano, Maxime

    2014-12-31

    We summarize recent modeling studies of injection-induced fault reactivation, seismicity, and its potential impact on surface structures and nuisance to the local human population. We used coupled multiphase fluid flow and geomechanical numerical modeling, dynamic wave propagation modeling, seismology theories, and empirical vibration criteria from mining and construction industries. We first simulated injection-induced fault reactivation, including dynamic fault slip, seismic source, wave propagation, and ground vibrations. From co-seismic average shear displacement and rupture area, we determined the moment magnitude to about Mw = 3 for an injection-induced fault reactivation at a depth of about 1000 m. We then analyzed themore » ground vibration results in terms of peak ground acceleration (PGA), peak ground velocity (PGV), and frequency content, with comparison to the U.S. Bureau of Mines’ vibration criteria for cosmetic damage to buildings, as well as human-perception vibration limits. For the considered synthetic Mw = 3 event, our analysis showed that the short duration, high frequency ground motion may not cause any significant damage to surface structures, and would not cause, in this particular case, upward CO2 leakage, but would certainly be felt by the local population.« less

  3. 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.

  4. 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...

  5. 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...

  6. 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.

  7. 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...

  8. 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...

  9. Reactive composite compositions and mat barriers

    SciTech Connect (OSTI)

    Langton, Christine A.; Narasimhan, Rajendran; Karraker, David G.

    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.

  10. Geochemical Monitoring Considerations for the FutureGen 2.0 Project

    SciTech Connect (OSTI)

    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. GEOCHEMICAL INVESTIGATIONS OF CO₂-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 (CO₂), into the atmosphere from anthropogenic sources is of great concern. A potential technology to reduce CO₂ 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 CO₂. 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 CO₂ without the potential for the release of harmful contaminants liberated by the reaction between CO₂-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 (9101–9860 kPa [1320–1430 psi] and 32°–42°C [90°– 108°F]) for varying amounts of time (6 hours to 4 months). Knox Group reservoir rocks exhibited dissolution of dolomite in the presence of CO₂ 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

  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

  13. 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

  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. An Integrated RELAP5-3D and Multiphase CFD Code System Utilizing a Semi Implicit Coupling Technique

    SciTech Connect (OSTI)

    D.L. Aumiller; E.T. Tomlinson; W.L. Weaver

    2001-06-21

    An integrated code system consisting of RELAP5-3D and a multiphase CFD program has been created through the use of a generic semi-implicit coupling algorithm. Unlike previous CFD coupling work, this coupling scheme is numerically stable provided the material Courant limit is not violated in RELAP5-3D or at the coupling locations. The basis for the coupling scheme and details regarding the unique features associated with the application of this technique to a four-field CFD program are presented. Finally, the results of a verification problem are presented. The coupled code system is shown to yield accurate and numerically stable results.

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

    DOE Patents [OSTI]

    Fritz, Gregory M.; Weihs, Timothy P.; Grzyb, Justin A.

    2016-07-05

    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.

  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. 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...

  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. Directional Reactive Power Ground Plane Transmission - Energy...

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

    Marketing SummaryORNL researchers have developed a pioneering power alternative to batteries using directional reactive power. Batteries are currently the primary option for...

  3. Numerical Study of Coal Gasification Using Eulerian-Eulerian Multiphase Model

    SciTech Connect (OSTI)

    Shi, S.; Guenther, C.; Orsino, S.

    2007-09-01

    Gasification converts the carbon-containing material into a synthesis gas (syngas) which can be used as a fuel to generate electricity or used as a basic chemical building block for a large number of uses in the petrochemical and refining industries. Based on the mode of conveyance of the fuel and the gasifying medium, gasification can be classified into fixed or moving bed, fluidized bed, and entrained flow reactors. Entrained flow gasifiers normally feature dilute flow with small particle size and can be successfully modeled with the Discrete Phase Method (DPM). For the other types, the Eulerian-Eulerian (E-E) or the so called two-fluid multiphase model is a more appropriate approach. The E-E model treats the solid phase as a distinct interpenetrating granular fluid and it is the most general-purposed multi-fluid model. This approach provides transient, three-dimensional, detailed information inside the reactor which would otherwise be unobtainable through experiments due to the large scale, high pressure and/or temperature. In this paper, a transient, three-dimensional model of the Power Systems Development Facility (PSDF) transport gasifier will be presented to illustrate how Computational Fluid Dynamics (CFD) can be used for large-scale complicated geometry with detailed physics and chemistry. In the model, eleven species are included in the gas phase while four pseudo-species are assumed in the solid phase. A total of sixteen reactions, both homogeneous (involving only gas phase species) and heterogeneous (involving species in both gas and solid phases), are used to model the coal gasification chemistry. Computational results have been validated against PSDF experimental data from lignite to bituminous coals under both air and oxygen blown conditions. The PSDF gasifier geometry was meshed with about 70,000, hexahedra-dominated cells. A total of six cases with different coal, feed gas, and/or operation conditions have been performed. The predicted and

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

    DOE Patents [OSTI]

    Ginosar, Daniel M.; Thompson, David N.; Anderson, Raymond P.

    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.

  5. Effect of wettability on scale-up of multiphase flow from core-scale to reservoir fine-grid-scale

    SciTech Connect (OSTI)

    Chang, Y.C.; Mani, V.; Mohanty, K.K.

    1997-08-01

    Typical field simulation grid-blocks are internally heterogeneous. The objective of this work is to study how the wettability of the rock affects its scale-up of multiphase flow properties from core-scale to fine-grid reservoir simulation scale ({approximately} 10{prime} x 10{prime} x 5{prime}). Reservoir models need another level of upscaling to coarse-grid simulation scale, which is not addressed here. Heterogeneity is modeled here as a correlated random field parameterized in terms of its variance and two-point variogram. Variogram models of both finite (spherical) and infinite (fractal) correlation length are included as special cases. Local core-scale porosity, permeability, capillary pressure function, relative permeability functions, and initial water saturation are assumed to be correlated. Water injection is simulated and effective flow properties and flow equations are calculated. For strongly water-wet media, capillarity has a stabilizing/homogenizing effect on multiphase flow. For small variance in permeability, and for small correlation length, effective relative permeability can be described by capillary equilibrium models. At higher variance and moderate correlation length, the average flow can be described by a dynamic relative permeability. As the oil wettability increases, the capillary stabilizing effect decreases and the deviation from this average flow increases. For fractal fields with large variance in permeability, effective relative permeability is not adequate in describing the flow.

  6. Incorporation of Reaction Kinetics into a Multiphase, Hydrodynamic Model of a Fischer Tropsch Slurry Bubble Column Reactor

    SciTech Connect (OSTI)

    Donna Guillen, PhD; Anastasia Gribik; Daniel Ginosar, PhD; Steven P. Antal, PhD

    2008-11-01

    This paper describes the development of a computational multiphase fluid dynamics (CMFD) model of the Fischer Tropsch (FT) process in a Slurry Bubble Column Reactor (SBCR). The CMFD model is fundamentally based which allows it to be applied to different industrial processes and reactor geometries. The NPHASE CMFD solver [1] is used as the robust computational platform. Results from the CMFD model include gas distribution, species concentration profiles, and local temperatures within the SBCR. This type of model can provide valuable information for process design, operations and troubleshooting of FT plants. An ensemble-averaged, turbulent, multi-fluid solution algorithm for the multiphase, reacting flow with heat transfer was employed. Mechanistic models applicable to churn turbulent flow have been developed to provide a fundamentally based closure set for the equations. In this four-field model formulation, two of the fields are used to track the gas phase (i.e., small spherical and large slug/cap bubbles), and the other two fields are used for the liquid and catalyst particles. Reaction kinetics for a cobalt catalyst is based upon values reported in the published literature. An initial, reaction kinetics model has been developed and exercised to demonstrate viability of the overall solution scheme. The model will continue to be developed with improved physics added in stages.

  7. 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.

  8. 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.

  9. 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

  10. 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.

  11. Device and method for measuring multi-phase fluid flow in a conduit having an abrupt gradual bend

    DOE Patents [OSTI]

    Ortiz, M.G.

    1998-02-10

    A system is described for measuring fluid flow in a conduit having an abrupt bend. The system includes pressure transducers, one disposed in the conduit at the inside of the bend and one or more disposed in the conduit at the outside of the bend but spaced a distance therefrom. The pressure transducers measure the pressure of fluid in the conduit at the locations of the pressure transducers and this information is used by a computational device to calculate fluid flow rate in the conduit. For multi-phase fluid, the density of the fluid is measured by another pair of pressure transducers, one of which is located in the conduit elevationally above the other. The computation device then uses the density measurement along with the fluid pressure measurements, to calculate fluid flow. 1 fig.

  12. Device and method for measuring multi-phase fluid flow in a conduit having an abrupt gradual bend

    DOE Patents [OSTI]

    Ortiz, Marcos German

    1998-01-01

    A system for measuring fluid flow in a conduit having an abrupt bend. The system includes pressure transducers, one disposed in the conduit at the inside of the bend and one or more disposed in the conduit at the outside of the bend but spaced a distance therefrom. The pressure transducers measure the pressure of fluid in the conduit at the locations of the pressure transducers and this information is used by a computational device to calculate fluid flow rate in the conduit. For multi-phase fluid, the density of the fluid is measured by another pair of pressure transducers, one of which is located in the conduit elevationally above the other. The computation device then uses the density measurement along with the fluid pressure measurements, to calculate fluid flow.

  13. A summary of methods for approximating salt creep and disposal room closure in numerical models of multiphase flow

    SciTech Connect (OSTI)

    Freeze, G.A.; Larson, K.W.; Davies, P.B.

    1995-10-01

    Eight alternative methods for approximating salt creep and disposal room closure in a multiphase flow model of the Waste Isolation Pilot Plant (WIPP) were implemented and evaluated: Three fixed-room geometries three porosity functions and two fluid-phase-salt methods. The pressure-time-porosity line interpolation method is the method used in current WIPP Performance Assessment calculations. The room closure approximation methods were calibrated against a series of room closure simulations performed using a creep closure code, SANCHO. The fixed-room geometries did not incorporate a direct coupling between room void volume and room pressure. The two porosity function methods that utilized moles of gas as an independent parameter for closure coupling. The capillary backstress method was unable to accurately simulate conditions of re-closure of the room. Two methods were found to be accurate enough to approximate the effects of room closure; the boundary backstress method and pressure-time-porosity line interpolation. The boundary backstress method is a more reliable indicator of system behavior due to a theoretical basis for modeling salt deformation as a viscous process. It is a complex method and a detailed calibration process is required. The pressure lines method is thought to be less reliable because the results were skewed towards SANCHO results in simulations where the sequence of gas generation was significantly different from the SANCHO gas-generation rate histories used for closure calibration. This limitation in the pressure lines method is most pronounced at higher gas-generation rates and is relatively insignificant at lower gas-generation rates. Due to its relative simplicity, the pressure lines method is easier to implement in multiphase flow codes and simulations have a shorter execution time.

  14. Reactivity of perovskites with water: Role of hydroxylation in...

    Office of Scientific and Technical Information (OSTI)

    Reactivity of perovskites with water: Role of hydroxylation in wetting and implications ... Title: Reactivity of perovskites with water: Role of hydroxylation in wetting and ...

  15. 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: ... Title: Experimental Evidence for Self-Limiting Reactive Flow through a Fractured Cement ...

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

    Office of Scientific and Technical Information (OSTI)

    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 ...

  17. Inducing and Quantifying Forbidden Reactivity with Single Molecule...

    Office of Scientific and Technical Information (OSTI)

    Inducing and Quantifying Forbidden Reactivity with Single Molecule Polymer Mechanochemistry Citation Details In-Document Search Title: Inducing and Quantifying Forbidden Reactivity ...

  18. Chemical Imaging and Dynamical Studies of Reactivity and Emergent...

    Office of Scientific and Technical Information (OSTI)

    Chemical Imaging and Dynamical Studies of Reactivity and Emergent Behavior in Complex ... Title: Chemical Imaging and Dynamical Studies of Reactivity and Emergent Behavior in ...

  19. 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...

  20. Modeling of fault reactivation and induced seismicity during...

    Office of Scientific and Technical Information (OSTI)

    Modeling of fault reactivation and induced seismicity during hydraulic fracturing of shale-gas reservoirs Citation Details In-Document Search Title: Modeling of fault reactivation ...

  1. Investigation of long term reactive stability of ceria for use...

    Office of Scientific and Technical Information (OSTI)

    reactive stability of ceria for use in solar thermochemical cycles This content will ... reactive stability of ceria for use in solar thermochemical cycles Authors: Rhodes, ...

  2. 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.

  3. 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.

  4. Reactivity control assembly for nuclear reactor

    DOE Patents [OSTI]

    Bollinger, Lawrence R.

    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.

  5. Mild coal pretreatment to improve liquefaction reactivity

    SciTech Connect (OSTI)

    Miller, R.L.

    1991-01-01

    This report describes work completed during the fourth quarter of a three year project to study the effects of mild chemical pretreatment on coal dissolution reactivity during low severity liquefaction or coal/oil coprocessing. The overall objective of this research is to elucidate changes in the chemical and physical structure of coal by pretreating with methanol or other simple organic solvent and a trace amount of hydrochloric acid and measure the influence of these changes on coal dissolution reactivity. This work is part of a larger effort to develop a new coal liquefaction or coal/oil coprocessing scheme consisting of three main process steps: (1) mile pretreatment of the feed coal to enhance dissolution reactivity and dry the coal, (2) low severity thermal dissolution of the pretreated coal to obtain a very reactive coal-derived residual material amenable to upgrading, and (3) catalytic upgrading of the residual products to distillate liquids.

  6. A Tariff for Reactive Power - IEEE

    SciTech Connect (OSTI)

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

    2008-11-01

    This paper describes a suggested tariff or payment for the local supply of reactive power from distributed energy resources. The authors consider four sample customers, and estimate the cost of supply of reactive power for each customer. The power system savings from the local supply of reactive power are also estimated for a hypothetical circuit. It is found that reactive power for local voltage regulation could be supplied to the distribution system economically by customers when new inverters are installed. The inverter would be supplied with a power factor of 0.8, and would be capable of local voltage regulation to a schedule supplied by the utility. Inverters are now installed with photovoltaic systems, fuel cells and microturbines, and adjustable-speed motor drives.

  7. EPA/ITRC-RTDF permeable reactive barrier short course. Permeable reactive barriers: Application and deployment

    SciTech Connect (OSTI)

    Not Available

    1999-01-01

    This report focuses on the following: Permeable Reactive Barriers: Application and Deployment; Introduction to Permeable Reactive Barriers (PRBs) for Remediating and Managing Contaminated Groundwater in Situ; Collection and Interpretation of Design Data 1: Site Characterization for PRBs; Reactive Materials: Zero-Valent Iron; Collection and Interpretation of Design Data 2: Laboratory and Pilot Scale Tests; Design Calculations; Compliance Monitoring, Performance Monitoring and Long-Term Maintenance for PRBs; PRB Emplacement Techniques; PRB Permitting and Implementation; Treatment of Metals; Non-Metallic Reactive Materials; Economic Considerations for PRB Deployment; and Bibliography.

  8. EPA/ITRC-RTDF permeable reactive barrier short course. Permeable reactive barriers: Application and deployment

    SciTech Connect (OSTI)

    1999-11-01

    This report focuses on the following: Permeable Reactive Barriers: Application and Deployment; Introduction to Permeable Reactive Barriers (PRBs) for Remediating and Managing Contaminated Groundwater in Situ; Collection and Interpretation of Design Data 1: Site Characterization for PRBs; Reactive Materials: Zero-Valent Iron; Collection and Interpretation of Design Data 2: Laboratory and Pilot Scale Tests; Design Calculations; Compliance Monitoring, Performance Monitoring and Long-Term Maintenance for PRBs; PRB Emplacement Techniques; PRB Permitting and Implementation; Treatment of Metals; Non-Metallic Reactive Materials; Economic Considerations for PRB Deployment; and Bibliography.

  9. 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)

  10. Coupling a Genome-Scale Metabolic Model with a Reactive Transport Model to Describe In Situ Uranium Bioremediation

    SciTech Connect (OSTI)

    Scheibe, Timothy D.; Mahadevan, Radhakrishnan; Fang, Yilin; Garg, Srinath; Long, Philip E.; Lovley, Derek R.

    2009-03-01

    Quantitative numerical simulation codes known as reactive transport models are widely used for simulating the hydrologic transport and geochemical speciation of dissolved constituents in the subsurface (Steefel et al., 2005). Because the activity of microorganisms strongly influences the fate of many constituents, both organic and inorganic, such models often include microbially-mediated reactions in their reaction networks (Hunter et al., 1998; Burgos et al., 2002; Fang et al., 2006; Scheibe et al., 2006; Yabusaki et al., 2007). However, the canonical form and stoichiometry of microbial reactions, reaction rate formulations and parameters, and biomass growth yield coefficients are prescribed a priori and applied over the entire range of simulated conditions. This approach does not account for the fact that fundamental microbial functions vary in response to local variations in environmental conditions(Stewart and Franklin, 2008). Multiple alternative reaction pathways are encoded in microbial genomes; specific pathways become active or inactive in response to, for example, nutrient limitation. Recent advances in genomic analysis allow us to define cellular metabolic networks, and accurate predictions of active pathways and reaction fluxes have been made using constraint-based metabolic models (Mahadevan et al., 2002; Price et al., 2003; Reed and Palsson, 2003; Mahadevan et al., 2006). Here, we demonstrate for the first time a methodology of coupling constraint-based metabolic models with reactive transport models. Our approach integrates advanced microbiological characterization, hydrology, and geochemistry in a powerful manner that will significantly improve subsurface reactive transport models.

  11. Experimental determination of the speciation, partitioning, and release of perrhenate as a chemical surrogate for pertechnetate from a sodalite-bearing multiphase ceramic waste form

    SciTech Connect (OSTI)

    Pierce, Eric M.; Lukens, Wayne W.; Fitts, Jeff. P.; Jantzen, Carol. M.; Tang, G.

    2013-12-01

    A key component to closing the nuclear fuel cycle is the storage and disposition of nuclear waste in geologic systems. Multiphase ceramic waste forms have been studied extensively as a potential host matrix for nuclear waste. Understanding the speciation, partitioning, and release behavior of radionuclides immobilized in multiphase ceramic waste forms is a critical aspect of developing the scientific and technical basis for nuclear waste management. In this study, we evaluated a sodalite-bearing multiphase ceramic waste form (i.e., fluidized-bed steam reform sodium aluminosilicate [FBSR NAS] product) as a potential host matrix for long-lived radionuclides, such as technetium (99Tc). The FBSR NAS material consists primarily of nepheline (ideally NaAlSiO4), anion-bearing sodalites (ideally M8[Al6Si6O24]X2, where M refers to alkali and alkaline earth cations and X refers to monovalent anions), and nosean (ideally Na8[AlSiO4]6SO4). Bulk X-ray absorption fine structure analysis of the multiphase ceramic waste form, suggest rhenium (Re) is in the Re(VII) oxidation state and has partitioned to a Re-bearing sodalite phase (most likely a perrhenate sodalite Na8[Al6Si6O24](ReO4)2). Rhenium was added as a chemical surrogate for 99Tc during the FBSR NAS synthesis process. The weathering behavior of the FBSR NAS material was evaluated under hydraulically unsaturated conditions with deionized water at 90 ?C. The steady-state Al, Na, and Si concentrations suggests the weathering mechanisms are consistent with what has been observed for other aluminosilicate minerals and include a combination of ion exchange, network hydrolysis, and the formation of an enriched-silica surface layer or phase. The steady-state S and Re concentrations are within an order of magnitude of the nosean and perrhenate sodalite solubility, respectively. The order of magnitude difference between the observed and predicted concentration for Re and S may be associated with the fact that the anion

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

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

    Optimizing parameters for predicting the geochemical behavior and performance of discrete fracture networks in geothermal systems Alexandra Hakala (National Energy Technology Laboratory) Track 1 Project Officer: Lauren Boyd Total Project Funding: $995,718 April 25, 2013 This presentation does not contain any proprietary confidential, or otherwise restricted information. 2 | US DOE Geothermal Office eere.energy.gov Relevance/Impact of Research * Fractures - primary pathway for geothermal heat

  13. Improved Geothermometry Through Multivariate Reaction Path Modeling and Evaluation of Geomicrobiological Influences on Geochemical Temperature Indicators

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

    Improved Geothermometry Through Multivariate Reaction Path Modeling and Evaluation of Geomicrobiological Influences on Geochemical Temperature Indicators Project Officer: Eric Hass Total Project Funding: $999,000 April 24, 2013 Craig Cooper Larry Hull Idaho National Laboratory This presentation does not contain any proprietary confidential, or otherwise restricted information. 2 | US DOE Geothermal Program eere.energy.gov Relevance/Impact of Research Geothermometry enables estimation of

  14. 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.

  15. 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.

  16. 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.

  17. Water reactive hydrogen fuel cell power system

    SciTech Connect (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.

  18. Nuclear engine flow reactivity shim control

    DOE Patents [OSTI]

    Walsh, J.M.

    1973-12-11

    A nuclear engine control system is provided which automatically compensates for reactor reactivity uncertainties at the start of life and reactivity losses due to core corrosion during the reactor life in gas-cooled reactors. The coolant gas flow is varied automatically by means of specially provided control apparatus so that the reactor control drums maintain a predetermined steady state position throughout the reactor life. This permits the reactor to be designed for a constant drum position and results in a desirable, relatively flat temperature profile across the core. (Official Gazette)

  19. 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.

  20. A mixture model for shock compression of porous multi-component reactive materials

    SciTech Connect (OSTI)

    Baer, M.R.

    1993-07-01

    A multiphase mixture model is presented to describe shock compression of highly porous, multi-component powders. Volume fractions are represented as independent kinematic variables and thermodynamically-admissible phase interaction constitutive models are formulated in the context of a three phase system. Numerical solutions of the multiphase flow equations simulated impact on a porous layer of mixed powders of Al and Fe{sub 2}O{sub 3}. The multiphase model predicts dispersive compaction waves which have features similar to observed time-resolved pressure measurements.

  1. Geochemical factors affecting radionuclide transport through near and far fields at a Low-Level Waste Disposal Site

    SciTech Connect (OSTI)

    Kaplan, D.I.; Seme, R.J.; Piepkho, M.G.

    1995-03-01

    The concentration of low-level waste (LLW) contaminants in groundwater is determined by the amount of contaminant present in the solid waste, rate of release from the waste and surrounding barriers, and a number of geochemical processes including adsorption, desorption, diffusion, precipitation, and dissolution. To accurately predict radionuclide transport through the subsurface, it is essential that the important geochemical processes affecting radionuclide transport be identified and, perhaps more importantly, accurately quantified and described in a mathematically defensible manner.

  2. 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.

  3. Dual FIB-SEM 3D imaging and lattice boltzmann modeling of porosimetry and multiphase flow in chalk.

    SciTech Connect (OSTI)

    Rinehart, Alex; Petrusak, Robin (Advanced Resources International, Inc., Arlington, VA); Heath, Jason E.; Dewers, Thomas A.; Yoon, Hongkyu

    2010-12-01

    Mercury intrusion porosimetry (MIP) is an often-applied technique for determining pore throat distributions and seal analysis of fine-grained rocks. Due to closure effects, potential pore collapse, and complex pore network topologies, MIP data interpretation can be ambiguous, and often biased toward smaller pores in the distribution. We apply 3D imaging techniques and lattice-Boltzmann modeling in interpreting MIP data for samples of the Cretaceous Selma Group Chalk. In the Mississippi Interior Salt Basin, the Selma Chalk is the apparent seal for oil and gas fields in the underlying Eutaw Fm., and, where unfractured, the Selma Chalk is one of the regional-scale seals identified by the Southeast Regional Carbon Sequestration Partnership for CO2 injection sites. Dual focused ion - scanning electron beam and laser scanning confocal microscopy methods are used for 3D imaging of nanometer-to-micron scale microcrack and pore distributions in the Selma Chalk. A combination of image analysis software is used to obtain geometric pore body and throat distributions and other topological properties, which are compared to MIP results. 3D data sets of pore-microfracture networks are used in Lattice Boltzmann simulations of drainage (wetting fluid displaced by non-wetting fluid via the Shan-Chen algorithm), which in turn are used to model MIP procedures. Results are used in interpreting MIP results, understanding microfracture-matrix interaction during multiphase flow, and seal analysis for underground CO2 storage.

  4. Method For Reactivating Solid Catalysts Used For Alklation Reactions

    DOE Patents [OSTI]

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

    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.

  5. 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.

  6. 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.

  7. 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

  8. 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

  9. Structure and Reactivity of X-ray Amorphous Uranyl Peroxide,...

    Office of Scientific and Technical Information (OSTI)

    Published Article: Structure and Reactivity of X-ray Amorphous Uranyl Peroxide, U 2 O 7 Prev Next Title: Structure and Reactivity of X-ray Amorphous Uranyl Peroxide, U 2 O 7 ...

  10. Nuclear reactivity control using laser induced polarization

    DOE Patents [OSTI]

    Bowman, Charles D.

    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.

  11. Nuclear reactivity control using laser induced polarization

    DOE Patents [OSTI]

    Bowman, Charles D.

    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.

  12. 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.

  13. Non-intrusive, high-resolution, real-time, two-dimensional imaging of multiphase materials using acoustic array sensors

    SciTech Connect (OSTI)

    Cassiède, M.; Shaw, J. M.

    2015-04-15

    Two parallel multi-element ultrasonic acoustic arrays combined with sets of focal laws for acoustic signal generation and a classical tomographic inversion algorithm are used to generate real-time two-dimensional micro seismic acoustic images of multiphase materials. Proof of concept and calibration measurements were performed for single phase and two phase liquids, uniform polyvinyl chloride (PVC) plates, and aluminum cylinders imbedded in PVC plates. Measurement artefacts, arising from the limited range of viewing angles, and the compromise between data acquisition rate and image quality are discussed. The angle range of scanning and the image resolution were varied, and the effects on the quality of the reproduction of the speed of sound profiles of model solids and liquids with known geometries and compositions were analysed in detail. The best image quality results were obtained for a scanning angle range of [−35°, 35°] at a step size of 2.5° post processed to generate images on a 40 μm square grid. The data acquisition time for high quality images with a 30 mm × 40 mm view field is 10 min. Representation of two-phase solids with large differences in speed of sound between phases and where one phase is dispersed in the form of macroscopic objects (greater than 1 mm in diameter) proved to be the most difficult to image accurately. Liquid-liquid and liquid-vapor phase boundaries, in micro porous solids by contrast, were more readily defined. Displacement of air by water and water by heptane in natural porous limestone provides illustrative kinetic examples. Measurement results with these realistic cases demonstrate the feasibility of the technique to monitor in real time and on the micrometer length scale local composition and flow of organic liquids in inorganic porous media, one of many envisioned engineering applications. Improvement of data acquisition rate is an area for future collaborative study.

  14. Multiscale reactive molecular dynamics | Argonne Leadership Computing

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

    Facility reactive molecular dynamics Authors: Chris KnighT, Gerrick E. Lindberg, Gregory A. Voth Many processes important to chemistry, materials science, and biology cannot be described without considering electronic and nuclear-level dynamics and their coupling to slower, cooperative motions of the system. These inherently multiscale problems require computationally efficient and accurate methods to converge statistical properties. In this paper, a method is presented that uses data

  15. Computationally Efficient Multiconfigurational Reactive Molecular Dynamics

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

    | Argonne Leadership Computing Facility Computationally Efficient Multiconfigurational Reactive Molecular Dynamics Authors: Takefumi Yamashita, Yuxing Peng, Chris Knight, Gregory A. Voth It is a computationally demanding task to explicitly simulate the electronic degrees of freedom in a system to observe the chemical transformations of interest, while at the same time sampling the time and length scales required to converge statistical properties and thus reduce artifacts due to initial

  16. 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

  17. 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.

  18. Geochemical Data Package for Performance Assessment Calculations Related to the Savannah River Site

    SciTech Connect (OSTI)

    Kaplan, Daniel I.

    2010-03-15

    The Savannah River Site disposes of low-activity radioactive waste within subsurface-engineered facilities. One of the tools used to establish the capacity of a given site to safely store radioactive waste (i.e., that a site does not exceed its Waste Acceptance Criteria) is the Performance Assessment (PA). The objective of this document is to provide the geochemical values for the PA calculations. This work is being conducted as part of the on-going maintenance program that permits the PA to periodically update existing calculations when new data becomes available.

  19. 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

  20. 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

  1. 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

  2. SU-E-T-510: Mathematical Analysis of Approximate Biological Effective Dose (BED) Calculation for Multi-Phase Radiotherapy Treatment Plans

    SciTech Connect (OSTI)

    Kauweloa, K; Gutierrez, A; Bergamo, A; Stathakis, S; Papanikolaou, N; Mavroidis, P

    2014-06-01

    Purpose: There is growing interest about biological effective dose (BED) and its application in treatment plan evaluation due to its stronger correlation with treatment outcome. An approximate biological effective dose (BEDA) equation was introduced to simplify BED calculations by treatment planning systems in multi-phase treatments. The purpose of this work is to reveal its mathematical properties relative to the true, multi-phase BED (BEDT) equation. Methods: The BEDT equation was derived and used to reveal the mathematical properties of BEDA. MATLAB (MathWorks, Natick, MA) was used to simulate and analyze common and extreme clinical multi-phase cases. In those cases, percent error (Perror) and Bland-Altman analysis were used to study the significance of the inaccuracies of BEDA for different combinations of total doses, numbers of fractions, doses per fractions and ? over ? values. All the calculations were performed on a voxel-basis in order to study how dose distributions would affect the accuracy of BEDA. Results: When the voxel dose-per-fractions (DPF) delivered by both phases are equal, BEDA and BEDT are equal. In heterogeneous dose distributions, which significantly vary between the phases, there are fewer occurrences of equal DPFs and hence the imprecision of BEDA is greater. It was shown that as the ? over ? ratio increased the accuracy of BEDA would improve. Examining twenty-four cases, it was shown that the range of DPF ratios for a 3 Perror varied from 0.32 to 7.50Gy, whereas for Perror of 1 the range varied from 0.50 to 2.96Gy. Conclusion: The DPF between the different phases should be equal in order to render BEDA accurate. OARs typically receive heterogeneous dose distributions hence the probability of equal DPFs is low. Consequently, the BEDA equation should only be used for targets or OARs that receive uniform or very similar dose distributions by the different treatment phases.

  3. 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.

  4. Geochemical and geologic factors effecting the formulation of gas hydrate: Task No. 5, Final report

    SciTech Connect (OSTI)

    Kvenvolden, K.A.; Claypool, G.E.

    1988-01-01

    The main objective of our work has been to determine the primary geochemical and geological factors controlling gas hydrate information and occurrence and particularly in the factors responsible for the generation and accumulation of methane in oceanic gas hydrates. In order to understand the interrelation of geochemical/geological factors controlling gas hydrate occurrence, we have undertaken a multicomponent program which has included (1) comparison of available information at sites where gas hydrates have been observed through drilling by the Deep Sea Drilling Project (DSDP) on the Blake Outer Ridge and Middle America Trench; (2) regional synthesis of information related to gas hydrate occurrences of the Middle America Trench; (3) development of a model for the occurrence of a massive gas hydrate as DSDP Site 570; (4) a global synthesis of gas hydrate occurrences; and (5) development of a predictive model for gas hydrate occurrence in oceanic sediment. The first three components of this program were treated as part of a 1985 Department of Energy Peer Review. The present report considers the last two components and presents information on the worldwide occurrence of gas hydrates with particular emphasis on the Circum-Pacific and Arctic basins. A model is developed to account for the occurrence of oceanic gas hydrates in which the source of the methane is from microbial processes. 101 refs., 17 figs., 6 tabs.

  5. 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.

  6. 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.

  7. 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.

  8. DEVELOPMENT OF A COMPUTATIONAL MULTIPHASE FLOW MODEL FOR FISCHER TROPSCH SYNTHESIS IN A SLURRY BUBBLE COLUMN REACTOR

    SciTech Connect (OSTI)

    Donna Post Guillen; Tami Grimmett; Anastasia M. Gribik; Steven P. Antal

    2010-09-01

    The Hybrid Energy Systems Testing (HYTEST) Laboratory is being established at the Idaho National Laboratory to develop and test hybrid energy systems with the principal objective to safeguard U.S. Energy Security by reducing dependence on foreign petroleum. A central component of the HYTEST is the slurry bubble column reactor (SBCR) in which the gas-to-liquid reactions will be performed to synthesize transportation fuels using the Fischer Tropsch (FT) process. SBCRs are cylindrical vessels in which gaseous reactants (for example, synthesis gas or syngas) is sparged into a slurry of liquid reaction products and finely dispersed catalyst particles. The catalyst particles are suspended in the slurry by the rising gas bubbles and serve to promote the chemical reaction that converts syngas to a spectrum of longer chain hydrocarbon products, which can be upgraded to gasoline, diesel or jet fuel. These SBCRs operate in the churn-turbulent flow regime which is characterized by complex hydrodynamics, coupled with reacting flow chemistry and heat transfer, that effect reactor performance. The purpose of this work is to develop a computational multiphase fluid dynamic (CMFD) model to aid in understanding the physico-chemical processes occurring in the SBCR. Our team is developing a robust methodology to couple reaction kinetics and mass transfer into a four-field model (consisting of the bulk liquid, small bubbles, large bubbles and solid catalyst particles) that includes twelve species: (1) CO reactant, (2) H2 reactant, (3) hydrocarbon product, and (4) H2O product in small bubbles, large bubbles, and the bulk fluid. Properties of the hydrocarbon product were specified by vapor liquid equilibrium calculations. The absorption and kinetic models, specifically changes in species concentrations, have been incorporated into the mass continuity equation. The reaction rate is determined based on the macrokinetic model for a cobalt catalyst developed by Yates and Satterfield [1]. The

  9. 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.

  10. Determining conductivity and mobility values of individual components in multiphase composite Cu{sub 1.97}Ag{sub 0.03}Se

    SciTech Connect (OSTI)

    Day, Tristan W.; Brown, David R.; Snyder, G. Jeffrey; Zeier, Wolfgang G.; Melot, Brent C.

    2014-10-27

    The intense interest in phase segregation in thermoelectrics as a means to reduce the lattice thermal conductivity and to modify the electronic properties from nanoscale size effects has not been met with a method for separately measuring the properties of each phase assuming a classical mixture. Here, we apply effective medium theory for measurements of the in-line and Hall resistivity of a multiphase composite, in this case Cu{sub 1.97}Ag{sub 0.03}Se. The behavior of these properties with magnetic field as analyzed by effective medium theory allows us to separate the conductivity and charge carrier mobility of each phase. This powerful technique can be used to determine the matrix properties in the presence of an unwanted impurity phase, to control each phase in an engineered composite, and to determine the maximum carrier concentration change by a given dopant, making it the first step toward a full optimization of a multiphase thermoelectric material and distinguishing nanoscale effects from those of a classical mixture.

  11. Thermodynamic approach to the stability of multi-phase systems. Application to the Y2O3–Fe system

    SciTech Connect (OSTI)

    Samolyuk, German D.; Osetskiy, Yury N.

    2015-07-07

    Oxide-metal systems (OMSs) are important in many practical applications, and therefore, are under extensive studies using a wide range of techniques. The most accurate theoretical approaches are based on density functional theory (DFT), which are limited to ~102 atoms. Multi-scale approaches, e.g., DFT+Monte Carlo, are often used to model OMSs at the atomic level. These approaches can describe qualitatively the kinetics of some processes but not the overall stability of OMSs. In this paper, we propose a thermodynamic approach to study equilibrium in multiphase systems, which can be sequentially enhanced by considering different defects and microstructures. We estimate the thermodynamic equilibrium by minimization the free energy of the whole multiphase system using a limited set of defects and microstructural objects for which the properties are calculated by DFT. As an example, we consider Y2O3+bcc Fe with vacancies in both the Y2O3 and bcc Fe phases, Y substitutions and O interstitials in Fe, Fe impurities and antisite defects in Y2O3. The output of these calculations is the thermal equilibrium concentration of all the defects for a particular temperature and composition. The results obtained confirmed the high temperature stability of yttria in iron. As a result, model development towards more accurate calculations is discussed.

  12. Thermodynamic approach to the stability of multi-phase systems. Application to the Y2O3–Fe system

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

    Samolyuk, German D.; Osetskiy, Yury N.

    2015-07-07

    Oxide-metal systems (OMSs) are important in many practical applications, and therefore, are under extensive studies using a wide range of techniques. The most accurate theoretical approaches are based on density functional theory (DFT), which are limited to ~102 atoms. Multi-scale approaches, e.g., DFT+Monte Carlo, are often used to model OMSs at the atomic level. These approaches can describe qualitatively the kinetics of some processes but not the overall stability of OMSs. In this paper, we propose a thermodynamic approach to study equilibrium in multiphase systems, which can be sequentially enhanced by considering different defects and microstructures. We estimate the thermodynamicmore » equilibrium by minimization the free energy of the whole multiphase system using a limited set of defects and microstructural objects for which the properties are calculated by DFT. As an example, we consider Y2O3+bcc Fe with vacancies in both the Y2O3 and bcc Fe phases, Y substitutions and O interstitials in Fe, Fe impurities and antisite defects in Y2O3. The output of these calculations is the thermal equilibrium concentration of all the defects for a particular temperature and composition. The results obtained confirmed the high temperature stability of yttria in iron. As a result, model development towards more accurate calculations is discussed.« less

  13. Multiphase Dissolution Model

    Energy Science and Technology Software Center (OSTI)

    1999-06-08

    This program simulates the leaching behavior of glass-ceramic monoliths or particles immersed in liquids. The monoliths or particles may be composed of up to 10 separate compounds, each with different densities and forward leach rate constants. Each compound in turn can be composed of up to 10 species (elements, oxides, etc.). A data file is used to store the physical information about the compounds, i.e., density, forward rate constant and the percentages of each speciesmore » making up each compound. Once the program has input the data file and the user has setup the experimental parameters, the program begins a calculation loop for each time interval, :{Delta}t [days]. The time interval is calculated by dividing the duration of the experiment by the number of data points desired by the user. The program can simulate static conditions as would be the case for a standard leach test or under flowing water conditions which might be found in nature. It can also account for precipitation out of solution for various compounds, if the precipitation coefficients are known. An output data file is created showing the amount of each species in solution as a function of time. An accompanying program, LDATA, is used to create and manage data files for input into the MDM program. The files contain physical data about the compounds, and species making up the material.« less

  14. Workshop on hydrologic and geochemical monitoring in the Long Valley Caldera: proceedings

    SciTech Connect (OSTI)

    Sorey, M.L.; Farrar, C.D.; Wollenberg, H.A.

    1984-10-01

    A workshop reviewed the results of hydrologic and geochemical monitoring in the Long Valley caldera. Such monitoring is being done to detect changes in the hydrothermal system induced by ongoing magmatic and tectonic processes. Workshop participants discussed the need to instrument sites for continuous measurements of several parameters and to obtain additional hydrologic and chemical information from intermediate and deep drill holes. In addition to seismic and deformation monitoring, programs are currently in progress to monitor changes in the discharge characteristics of hot springs, fumaroles, and soil gases, as well as pressures and temperatures in wells. Some hydrochemical parameters are measured continuously, others are measured monthly or at longer intervals. This report summarizes the information presented at the hydrologic monitoring workshop, following the workshop agenda which was divided into four sessions: (1) overview of the hydrothermal system; (2) monitoring springs, fumaroles, and wells; (3) monitoring gas emissions; and (4) conclusions and recommendations.

  15. Interface Induced Carbonate Mineralization: A Fundamental Geochemical Process Relevant to Carbon Sequestration

    SciTech Connect (OSTI)

    Teng, H. Henry; Xu, Huifang

    2013-07-17

    We have approached the long-standing geochemical question why anhydrous high-Mg carbonate minerals (i.e., magnesite and dolomite) cannot be formed at ambient conditions from a new perspective by exploring the formation of MgCO{sub 3} and Mg{sub x}Ca{sub (1-x)}CO{sub 3} in non-aqueous solutions. Data collected from our experiments in this funding period suggest that a fundamental barrier, other than cation hydration, exists that prevents Mg{sup 2+} and CO{sub 3}{sup 2-} ions from forming long-range ordered structures. We propose that this barrier mainly stems from the lattice limitation on the spatial configuration of CO{sub 3} groups in magnesite crystals. On the other hand, the measured higher distribution coefficients of Mg between magnesian calcites formed in the absence and presence of water give us a first direct proof to support and quantify the cation hydration effect.

  16. 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)

  17. Evaluating oil quality and monitoring production from heavy oil reservoirs using geochemical methods: Application to the Boscan Field, Venezuela

    SciTech Connect (OSTI)

    Kaufman, R.L.; Noguera, V.H.; Bantz, D.M.; Rodriguez, R.

    1996-08-01

    Many oil fields worldwide contain heavy oil in one or more reservoir units. The low gravity of these oils is most frequently due to biodegradation and/or low maturity. The challenge is to find ways to economically recover this oil. Methods which reduce the operating costs of producing heavy oil add significant value to such projects. Geochemical techniques which use the composition of the reservoir fluids as natural tracers offer cost effective methods to assist with reservoir management. The low viscosity and gravity of heavy oil, combined with frequent high water cuts, low flow rates, and the presence of downhole artificial lift equipment, make many conventional production logging methods difficult to apply. Therefore, monitoring production, especially if the produced oil is commingled from multiple reservoirs, can be difficult. Geochemical methods can be used to identify oil/water contacts, tubing string leaks and to allocate production to individual zones from commingled production. An example of a giant heavy oil field where geochemical methods may be applicable is the Boscan Field in Venezuela. Low maturity oil, averaging 10{degrees} API gravity, is produced from the Eocene Upper and Lower Boscan (Miosa) Sands. Geochemical, stratigraphic and engineering data have helped to better define the controls on oil quality within the field, identified new reservoir compartments and defined unique characteristics of the Upper and Lower Boscan oils. This information can be used to identify existing wells in need of workovers due to mechanical problems and to monitor production from new infill wells.

  18. 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)

  19. 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

  20. 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

  1. Advancing reactive tracer methods for measuring thermal evolution in

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

    CO2-and water-based geothermal reservoirs | Department of Energy Advancing reactive tracer methods for measuring thermal evolution in CO2-and water-based geothermal reservoirs Advancing reactive tracer methods for measuring thermal evolution in CO2-and water-based geothermal reservoirs DOE Geothermal Peer Review 2010 - Presentation. This project aims to develop reactive tracer method for monitoring thermal drawdown in enhanced geothermal systems. tracers_hull_thermal_evolution.pdf (852.51

  2. Geopolymer with hierarchically meso-/macroporous structures from reactive

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

    emulsion templating Geopolymer with hierarchically meso-/macroporous structures from reactive emulsion templating Authors: Medpelli, D., Seo, J.-M., and Seo, D.-K. Title: Geopolymer with hierarchically meso-/macroporous structures from reactive emulsion templating Source: J. Amer. Ceram. Soc. Year: 2014 Volume: 97 (1) Pages: 70-73 ABSTRACT: We present a simple synthetic route to hierarchically porous geopolymers using triglyceride oil for a reactive emulsion template. In the new synthetic

  3. 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. deer10_reitz.pdf (960.46 KB) 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)

  4. 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...

  5. 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...

  6. 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...

  7. 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...

  8. 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...

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

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

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

  10. Review of Reactivity Experiments for Lithium Ternary Alloys ...

    Office of Scientific and Technical Information (OSTI)

    The plant uses lithium in both the primary coolant and blanket; therefore, lithium related hazards are of primary concern. Reducing chemical reactivity is the primary motivation ...

  11. Persistence of Hydrologic Variables and Reactive Stream Solute...

    Office of Scientific and Technical Information (OSTI)

    Watershed Citation Details In-Document Search Title: Persistence of Hydrologic Variables and Reactive Stream Solute Concentrations in an East Tennessee Watershed Time and ...

  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. Reactivity of the Gold/Water Interface During Selective Oxidation...

    Office of Scientific and Technical Information (OSTI)

    the GoldWater Interface During Selective Oxidation Catalysis Citation Details In-Document Search Title: Reactivity of the GoldWater Interface During Selective Oxidation Catalysis ...

  14. CL-20 Reactivity in the Subsurface Environment and Potential...

    Office of Scientific and Technical Information (OSTI)

    and Potential for Migration Citation Details In-Document Search Title: CL-20 Reactivity in the Subsurface Environment and Potential for Migration Hexanitrohexaazaisowurtzit...

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

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

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

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

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

    Planar Optical Waveguide Coupler Transformers for High-Power Solar Enegy Collection and Transmission Chemically Reactive Working Fluids Low-Cost Light Weigh Thin Film Solar ...

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

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

    Diesel Engine Combustion Strategies High Efficiency Fuel Reactivity Controlled Compression Ignition Combustion Effect of Compression Ratio and Piston Geometry on RCCI load limit

  18. 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 ...

  19. Hydraulic Conductivity of the Monticello Permeable Reactive Barrier...

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

    City, Colorado, Uranium Mill Performance Assessment and Recommendations for Rejuvenation of a Permeable Reactive Barrier: Cotter Corporation's Caon City, Colorado, Uranium Mill

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

    Office of Scientific and Technical Information (OSTI)

    These methods included (1) mathematical investigation of the sensitivity of known and hypothetical reactive tracers, (2) laboratory testing of novel tracers that would improve ...

  1. Review of existing reactive transport software

    SciTech Connect (OSTI)

    Glassley, W., LLNL

    1998-02-03

    Simulations of thermal and hydrological evolution following the potential emplacement of a subterranean nuclear waste repository at Yucca Mountain, NV provide data that suggest the inevitability of dependent, simultaneous chemical evolution in this system. These chemical changes will modify significantly both the magnitude and structure of local porosity and permeability; hence, they will have a dynamic feedback effect on the evolving thermal and hydrological regime. Yet, despite this intimate interdependence of transport and chemical processes, a rigorous quantitative analysis of the post- emplacement environment that incorporates this critical feedback mechanism has not been completed to date. As an initial step in this direction, the present document outlines the fundamental chemical and transport processes that must be accounted for in such an analysis, and reviews the inventory of existing software that encodes these processed in explicitly coupled form. A companion report describes the prioritization of specific capabilities that are needed for modeling post-emplacement reactive transport at Yucca Mountain.

  2. Flash pyrolysis of biomass with reactive and non-reactive gases

    SciTech Connect (OSTI)

    Steinberg, M.; Fallon, P.T.

    1982-06-01

    The rapid or flash pyrolysis of wood biomass is being studied in a 1'' downflow entrained tubular reactor with a capacity of approximately 1 lb/hr of wood. The process chemistry data is being obtained with the view of building a data base and ascertaining the value of producing synthetic fuels and chemical feedstocks by the flash pyrolysis method. Data is being obtained on the effect of non-reactive pyrolyzing gases and the effect of reactive gases, hydrogen for the flash hydropyrolysis of wood and methane for flash methanolysis of wood. Preliminary process design and analysis has been made. The yield of ethylene and benzene is especially attractive for the production of chemical feedstocks from the reaction of methane and wood in a flash methanolysis process.

  3. 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

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

    DOE Patents [OSTI]

    Rucker, Victor C.; Shediac, Rene; Simmons, Blake A.; Havenstrite, Karen L.

    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.

  5. Device and method for measuring multi-phase fluid flow and density of fluid in a conduit having a gradual bend

    DOE Patents [OSTI]

    Ortiz, M.G.; Boucher, T.J.

    1998-10-27

    A system is described for measuring fluid flow in a conduit having a gradual bend or arc, and a straight section. The system includes pressure transducers, one or more disposed in the conduit on the outside of the arc, and one disposed in the conduit in a straight section thereof. The pressure transducers measure the pressure of fluid in the conduit at the locations of the pressure transducers and this information is used by a computational device to calculate fluid flow rate in the conduit. For multi-phase fluid, the density of the fluid is measured by another pair of pressure transducers, one of which is located in the conduit elevationally above the other. The computation device then uses the density measurement along with the fluid pressure measurements, to calculate fluid flow. 1 fig.

  6. Device and method for measuring multi-phase fluid flow and density of fluid in a conduit having a gradual bend

    DOE Patents [OSTI]

    Ortiz, Marcos German; Boucher, Timothy J.

    1998-01-01

    A system for measuring fluid flow in a conduit having a gradual bend or arc, and a straight section. The system includes pressure transducers, one or more disposed in the conduit on the outside of the arc, and one disposed in the conduit in a straight section thereof. The pressure transducers measure the pressure of fluid in the conduit at the locations of the pressure transducers and this information is used by a computational device to calculate fluid flow rate in the conduit. For multi-phase fluid, the density of the fluid is measured by another pair of pressure transducers, one of which is located in the conduit elevationally above the other. The computation device then uses the density measurement along with the fluid pressure measurements, to calculate fluid flow.

  7. A Sub-grid Model for an Array of Immersed Cylinders in Coarse-grid Multiphase Flow Simulations of a Carbon Capture Device

    SciTech Connect (OSTI)

    Sarkar, Avik; Sun, Xin; Sundaresan, Sankaran

    2012-12-01

    A post-combustion carbon-capture system utilizing a bubbling fluidized bed of sorbent particles is currently being developed as a part of the Carbon Capture and Simulation Initiative (CCSI) efforts. Adsorption of carbon dioxide (CO2) by these amine based sorbent particles is exothermic and arrays of immersed cylindrical heat transfer tubes are often utilized to maintain the lower temperatures favorable for CO2 capture. In multiphase computational fluid dynamics (CFD) simulations of the full-scale devices, which can be up to 10 m in size, approximately 103 cells are required in each dimension to accurately resolve the cylindrical tubes, which are only a few centimeters in diameter. Since the tubes cannot be resolved explicitly in CFD simulations, alternate methods to account for the influence of these immersed objects need to be developed.

  8. Merging high resolution geophysical and geochemical surveys to reduce exploration risk at glass buttes, Oregon

    SciTech Connect (OSTI)

    Walsh, Patrick; Fercho, Steven; Perkin, Doug; Martini, Brigette; Boshmann, Darrick

    2015-06-01

    The engineering and studies phase of the Glass Buttes project was aimed at reducing risk during the early stages of geothermal project development. The project’s inclusion of high resolution geophysical and geochemical surveys allowed Ormat to evaluate the value of these surveys both independently and in combination to quantify the most valuable course of action for exploration in an area where structure, permeability, and temperature are the most pressing questions. The sizes of the thermal anomalies at Glass Buttes are unusually large. Over the course of Phase I Ormat acquired high resolution LIDAR data to accurately map fault manifestations at the surface and collected detailed gravity and aeromagnetic surveys to map subsurface structural features. In addition, Ormat collected airborne hyperspectral data to assist with mapping the rock petrology and mineral alteration assemblages along Glass Buttes faults and magnetotelluric (MT) survey to try to better constrain the structures at depth. Direct and indirect identification of alteration assemblages reveal not only the geochemical character and temperature of the causative hydrothermal fluids but can also constrain areas of upflow along specific fault segments. All five datasets were merged along with subsurface lithologies and temperatures to predict the most likely locations for high permeability and hot fluids. The Glass Buttes temperature anomalies include 2 areas, totaling 60 km2 (23 mi2) of measured temperature gradients over 165° C/km (10° F/100ft). The Midnight Point temperature anomaly includes the Strat-1 well with 90°C (194 °F) at 603 m (1981 ft) with a 164 °C/km (10°F/100ft) temperature gradient at bottom hole and the GB-18 well with 71°C (160 °F) at 396 m (1300 ft) with a 182°C/km (11°F/100ft) gradient. The primary area of alteration and elevated temperature occurs near major fault intersections associated with Brothers Fault Zone and Basin and Range systems. Evidence for faulting is

  9. Coupled multiphase flow and closure analysis of repository response to waste-generated gas at the Waste Isolation Pilot Plant (WIPP)

    SciTech Connect (OSTI)

    Freeze, G.A.; Larson, K.W.; Davies, P.B.

    1995-10-01

    A long-term assessment of the Waste Isolation Pilot Plant (WIPP) repository performance must consider the impact of gas generation resulting from the corrosion and microbial degradation of the emplaced waste. A multiphase fluid flow code, TOUGH2/EOS8, was adapted to model the processes of gas generation, disposal room creep closure, and multiphase (brine and gas) fluid flow, as well as the coupling between the three processes. System response to gas generation was simulated with a single, isolated disposal room surrounded by homogeneous halite containing two anhydrite interbeds, one above and one below the room. The interbeds were assumed to have flow connections to the room through high-permeability, excavation-induced fractures. System behavior was evaluated by tracking four performance measures: (1) peak room pressure; (2) maximum brine volume in the room; (3) total mass of gas expelled from the room; and (4) the maximum gas migration distance in an interbed. Baseline simulations used current best estimates of system parameters, selected through an evaluation of available data, to predict system response to gas generation under best-estimate conditions. Sensitivity simulations quantified the effects of parameter uncertainty by evaluating the change in the performance measures in response to parameter variations. In the sensitivity simulations, a single parameter value was varied to its minimum and maximum values, representative of the extreme expected values, with all other parameters held at best-estimate values. Sensitivity simulations identified the following parameters as important to gas expulsion and migration away from a disposal room: interbed porosity; interbed permeability; gas-generation potential; halite permeability; and interbed threshold pressure. Simulations also showed that the inclusion of interbed fracturing and a disturbed rock zone had a significant impact on system performance.

  10. Monitoring CO 2 sequestration into deep saline aquifer and associated salt intrusion using coupled multiphase flow modeling and time lapse electrical resistivity tomography

    SciTech Connect (OSTI)

    Chuan Lu; CHI Zhang; Hai Hanag; Timothy C. Johnson

    2014-04-01

    Successful geological storage and sequestration of carbon dioxide (CO2) require efficient monitoring of the migration of CO2 plume during and after large-scale injection in order to verify the containment of the injected CO2 within the target formation and to evaluate potential leakage risk. Field studies have shown that surface and cross-borehole electrical resistivity tomography (ERT) can be a useful tool in imaging and characterizing solute transport in heterogeneous subsurface. In this synthetic study, we have coupled a 3-D multiphase flow model with a parallel 3-D time-lapse ERT inversion code to explore the feasibility of using time-lapse ERT for simultaneously monitoring the migration of CO2 plume in deep saline formation and potential brine intrusion into shallow fresh water aquifer. Direct comparisons of the inverted CO2 plumes resulting from ERT with multiphase flow simulation results indicate the ERT could be used to delineate the migration of CO2 plume. Detailed comparisons on the locations, sizes and shapes of CO2 plume and intruded brine plumes suggest that ERT inversion tends to underestimate the area review of the CO2 plume, but overestimate the thickness and total volume of the CO2 plume. The total volume of intruded brine plumes is overestimated as well. However, all discrepancies remain within reasonable ranges. Our study suggests that time-lapse ERT is a useful monitoring tool in characterizing the movement of injected CO2 into deep saline aquifer and detecting potential brine intrusion under large-scale field injection conditions.

  11. Variational reactivity estimates: new analyses and new results

    SciTech Connect (OSTI)

    Favorite, Jeffrey A

    2009-01-01

    A modified form of the variational estimate of the reactivity worth ofa perturbation was previously developed to extend the range of applicability of variational perturbation theory for perturbations leading to negative reactivity worths. Recent numerical results challenged the assumptions behind the modified form. In this paper, more results are obtained, leading to the conclusion that sometimes the modified form extends the range ofapplicability of variational perturbation theory for positive reactivity worths as well, and sometimes the standard variational form is more accurate for negative-reactivity perturbations. In addition, this paper proves that using the exact generalized adjoint function would lead to an inaccurate variational reactivity estimate when the error in the first-order estimate is large; the standard generalized adjoint function, an approximation to the exact one, leads to Lore accurate results. This conclusion is also demonstrated numerically. Transport calculations use the PARTISN multi group discrete ordinates code

  12. 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.

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

    SciTech Connect (OSTI)

    Lloyd, Jonathan R.

    2005-06-01

    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.

  14. Using laboratory flow experiments and reactive chemical transport modeling for designing waterflooding of the Agua Fria Reservoir, Poza Rica-Altamira Field, Mexico

    SciTech Connect (OSTI)

    Birkle, P.; Pruess, K.; Xu, T.; Figueroa, R.A. Hernandez; Lopez, M. Diaz; Lopez, E. Contreras

    2008-10-01

    Waterflooding for enhanced oil recovery requires that injected waters must be chemically compatible with connate reservoir waters, in order to avoid mineral dissolution-and-precipitation cycles that could seriously degrade formation permeability and injectivity. Formation plugging is a concern especially in reservoirs with a large content of carbonates, such as calcite and dolomite, as such minerals typically react rapidly with an aqueous phase, and have strongly temperature-dependent solubility. Clay swelling can also pose problems. During a preliminary waterflooding pilot project, the Poza Rica-Altamira oil field, bordering the Gulf coast in the eastern part of Mexico, experienced injectivity loss after five months of reinjection of formation waters into well AF-847 in 1999. Acidizing with HCl restored injectivity. We report on laboratory experiments and reactive chemistry modeling studies that were undertaken in preparation for long-term waterflooding at Agua Frma. Using analogous core plugs obtained from the same reservoir interval, laboratory coreflood experiments were conducted to examine sensitivity of mineral dissolution and precipitation effects to water composition. Native reservoir water, chemically altered waters, and distilled water were used, and temporal changes in core permeability, mineral abundances and aqueous concentrations of solutes were monitored. The experiments were simulated with the multi-phase, nonisothermal reactive transport code TOUGHREACT, and reasonable to good agreement was obtained for changes in solute concentrations. Clay swelling caused an additional impact on permeability behavior during coreflood experiments, whereas the modeled permeability depends exclusively on chemical processes. TOUGHREACT was then used for reservoir-scale simulation of injecting ambient-temperature water (30 C, 86 F) into a reservoir with initial temperature of 80 C (176 F). Untreated native reservoir water was found to cause serious porosity and

  15. 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.

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

    SciTech Connect (OSTI)

    Ostertag-Henning, C.; Risse, A.; Thomas, B.; Rosenbauer, R.; Rochelle, C.; Purser, G.; Kilpatrick, A.; Rosenqvist, J.; Yardley, B.; Karamalidis, A.; Griffith, C.; Hedges, S.; Dilmore, R.; Goodman, A.; Black, J.; Haese, R.; Deusner, C.; Bigalke, N.; Haeckel, M.; Fischer, S.; Liebscher, A.; Icenhower, J. P.; Daval, D.; Saldi, G. D.; Knauss, K. G.; Schmidt, M.; Mito, S.; Sorai, M.; Truche, L.

    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 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.

  17. Preburn versus postburn mineralogical and geochemical characteristics of overburden and coal at the Hanna, Wyoming underground coal gasification site

    SciTech Connect (OSTI)

    Oliver, R.L.; Youngberg, A.D.

    1983-12-01

    Hundreds of mineralogic and geochemical tests were done under US Department of Energy contracts on core samples taken from the Hanna underground coal gasification site. These tests included x-ray diffraction studies of minerals in coal ash, overburden rocks, and heat-altered rocks; x-ray fluorescence analyses of oxides in coal ash and heat-altered rocks; semi-quantitative spectrographic analyses of elements in coal, overburden, and heat-altered rocks; chemical analyses of elements and compounds in coal, overburden, and heat-altered rocks and ASTM proximate and ultimate analyses of coal and heat-altered coal. These data sets were grouped, averaged, and analyzed to provide preburn and postburn mineralogic and geochemical characteristics of rock units at the site. Where possible, the changes in characteristics from the preburn to the postburn state are related to underground coal gasification processes. 11 references, 13 figures, 8 tables.

  18. Comparison of microbial and sorbed soil gas surgace geochemical techniques with seismic surveys from the Southern Altiplano, Bolivia

    SciTech Connect (OSTI)

    Aranibar, O.R.; Tucker, J.D.; Hiltzman, D.C.

    1995-12-31

    Yacimientos Petroliferos Fiscales Bolivianos (YPFB) undertook a large seismic evaluation in the southern Altiplano, Bolivia in 1994. As an additional layer of information, sorbed soil gas and Microbial Oil Survey Technique (MOST) geochemical surveys were conducted to evaluate the hydrocarbon microseepage potential. The Wara Sara Prospect had 387 sorbed soil gas samples, collected from one meter depth, and 539 shallow soil microbial samples, collected from 15 to 20 centimeter depth. The sorbed soil gas samples were collected every 500 meters and microbial samples every 250 meters along geochemical traverses spaced 1 km apart. The presence of anmalous hydrocarbon microseepage is indicated by (1) a single hydrocarbon source identified by gas crossplots, (2) the high gas values with a broad range, (3) the high overall gas average, (4) the clusters of elevated samples, and (5) the right hand skewed data distributions.

  19. 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.

  20. Unearthing the Antibacterial Mechanism of Medicinal Clay: A Geochemical Approach to Combating Antibiotic Resistance

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

    Morrison, Keith D.; Misra, Rajeev; Williams, Lynda B.

    2016-01-08

    Natural antibacterial clays, when hydrated and applied topically, kill human pathogens including antibiotic resistant strains proliferating worldwide. Only certain clays are bactericidal; those containing soluble reduced metals and expandable clay minerals that absorb cations, providing a capacity for extended metal release and production of toxic hydroxyl radicals. Here we show the critical antibacterial components are soluble Fe2+ and Al3+ that synergistically attack multiple cellular systems in pathogens normally growth-limited by Fe supply. This geochemical process is more effective than metal solutions alone and provides an alternative antibacterial strategy to traditional antibiotics. Advanced bioimaging methods and genetic show that Al3+ misfoldsmore » cell membrane proteins, while Fe2+ evokes membrane oxidation and enters the cytoplasm inflicting hydroxyl radical attack on intracellular proteins and DNA. The lethal reaction precipitates Fe3+-oxides as biomolecular damage proceeds. In conclusion, discovery of this bactericidal mechanism demonstrated by natural clays should guide designs of new mineral-based antibacterial agents.« less

  1. Geochemical characteristics of oils from New Zealand, Papua New Guinea and Taiwan

    SciTech Connect (OSTI)

    Jung-Nan, Oung; Philp, P.R. )

    1990-05-01

    Oils from a number of convergent margin settings of the Pacific and Philippine plates have been characterized by geochemical techniques including gas chromatography-mass spectrometry and carbon isotopic analysis. The oils, collected from New Zealand, New Guinea, and Taiwan, are described in terms of their biomarker compositions, and these distributions are used to evaluate the nature of the source material responsible for the oils. For the most part these oils are of Tertiary age and the source materials were derived predominantly from higher plants. The authors describe the effects of a convergent margin on the relative maturity of the oils as reflected by their biomarker distributions. In other words, do any of the oils from these regions have anomalous maturity values that can be attributed to additional heating resulting from plate movement in the area. The results will also be compared with oils from similar source materials but not in convergent margin settings (for example, the Gippsland basin, Australia) to further evaluate the effects of the convergent margin setting on the biomarker distributions.

  2. Geochemical and physical properties of soils and shallow sediments at the Savannah River Site

    SciTech Connect (OSTI)

    Looney, B.B.; Eddy, C.A.; Ramdeen, M.; Pickett, J. ); Rogers, V. . Savannah River Site Savannah River Lab., Aiken, SC ); Scott, M.T.; Shirley, P.A. )

    1990-08-31

    A program to characterize the geochemical and physical properties of the unimpacted soils and shallow sediments at the Savannah River Site (SRS) has been completed. The maximum, minimum, median, standard deviation, and mean values for metals, radionuclides, inorganic anions, organic compounds, and agricultural indicator parameters are summarized for six soil series that were identified as representative of the 29 soil series at SRS. The soils from unimpacted areas of SRS are typical of soils found in moderately aggressive weathering environments, including the southeastern United States. Appendix 8 organic compounds were detected in all samples. Since these constituents are not generally present in soil, this portion of the investigation was intended to assess possible laboratory artifacts. An additional objective of the SRS Soil Study was to determine if the composition of the split spoon sampler biased chemical analysis of the soils. Twenty-five duplicate samples were analyzed for a number of metals, radiological and agricultural parameters, and organics by two laboratories currently contracted with to analyze samples during waste site characterization. In all cases, the absolute values of the average differences are relatively small compared to the overall variability in the population. 31 refs., 14 figs., 48 tabs.

  3. 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.

  4. 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.

  5. Geologic, geophysical, and geochemical aspects of site-specific studies of the geopressured-geothermal energy resource of southern Louisiana. Final report

    SciTech Connect (OSTI)

    Pilger, R.H. Jr.

    1985-01-01

    The report consists of four sections dealing with progress in evaluating geologic, geochemical, and geophysical aspects of geopressured-geothermal energy resources in Louisiana. Separate abstracts have been prepared for the individual sections. (ACR)

  6. 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.

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

    DOE Patents [OSTI]

    Whealton, John H.; Hanson, Gregory R.; Storey, John M.; Raridon, Richard J.; Armfield, Jeffrey S.; Bigelow, Timothy S.; Graves, Ronald L.

    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.

  8. Blind Geothermal System Exploration in Active Volcanic Environments...

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

    Blind Geothermal System Exploration in Active Volcanic Environments; Multi-phase Geophysical and Geochemical Surveys in Overt & Subtle Volcanic Systems, Hawaii & Maui Blind...

  9. 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.

  10. 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.

  11. Flash pyrolysis of biomass with reactive and non-reactive gases

    SciTech Connect (OSTI)

    Steinberg, M.; Fallon, P.T.; Sundaram, M.S.

    1984-03-01

    The process chemistry of the flash pyrolysis of biomass (wood) with the reactive gases, H/sub 2/ and CH/sub 4/ and with the non-reactive gases He and N/sub 2/ is being determined in an 1'' downflow tubular reactor at pressures from 20 to 1000 psi and temperatures from 600 to 1000/sup 0/C. With hydrogen, flash hydropyrolysis leads to high yields of ethylene, benzene and CO which can be used for the production of valuable chemical feedstocks and methanol transportation fuel. At reactor conditions of 50 psi and 1000/sup 0/C and approximately 1 sec residence time, the ethylene yield based on pine wood carbon conversion is 27%, for benzene it is 25% and for CO the yield is 39%, indicating that over 90% of the carbon in pine is converted to valuable products. Pine wood produces higher yields of hydrocarbon products than Douglas fir wood. The yield of ethylene is 2.3 times higher with methane than with helium or nitrogen, thus indicating a free radical reaction between CH/sub 4/ and the pyrolyzed wood. There appears to be no net production or consumption of methane. A preliminary process design and analysis indicate an economically competitive system for the production of ethylene, benzene and methanol based on the methanolysis of wood. 7 references, 13 figures, 1 table.

  12. Pebble Fuel Handling and Reactivity Control for Salt-Cooled High...

    Office of Scientific and Technical Information (OSTI)

    and Reactivity Control for Salt-Cooled High Temperature Reactors Citation Details In-Document Search Title: Pebble Fuel Handling and Reactivity Control for Salt-Cooled High ...

  13. Coupled hydro-mechanical processes and fault reactivation induced...

    Office of Scientific and Technical Information (OSTI)

    Coupled hydro-mechanical processes and fault reactivation induced by Co2 Injection in a three-layer storage formation Citation Details In-Document Search This content will become ...

  14. Laboratory and field scale demonstration of reactive barrier systems

    SciTech Connect (OSTI)

    Dwyer, B.P.; Marozas, D.C.; Cantrell, K.; Stewart, W.

    1996-10-01

    In an effort to devise a cost efficient technology for remediation of uranium contaminated groundwater, the Department of Energy`s Uranium Mill Tailings Remedial Action (DOE-UMTRA) Program through Sandia National Laboratories (SNL) fabricated a pilot scale research project utilizing reactive subsurface barriers at an UMTRA site in Durango, Colorado. A reactive subsurface barrier is produced by placing a reactant material (in this experiment, metallic iron) in the flow path of the contaminated groundwater. The reactive media then removes and/or transforms the contaminant(s) to regulatory acceptable levels. Experimental design and results are discussed with regard to other potential applications of reactive barrier remediation strategies at other sites with contaminated groundwater problems.

  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. Pre-plated reactive diffusion-bonded battery electrode plaques

    DOE Patents [OSTI]

    Maskalick, Nicholas J.

    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.

  17. Reactivity of Chromium(III) Nutritional Supplements in Biological...

    Office of Scientific and Technical Information (OSTI)

    Reactivities of Cr(III) complexes used in nutritional formulations, including Cr3O(OCOEt)6(OH2)3+ (A), Cr(pic)3 (pic) 2-pyridinecarboxylato(-) (B), and trans-CrCl2(OH2)4+ ...

  18. 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.

  19. 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).

  20. 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

  1. METHOD OF ALLOYING REACTIVE METALS WITH ALUMINUM OR BERYLLIUM

    DOE Patents [OSTI]

    Runnalls, O.J.C.

    1957-10-15

    A halide of one or more of the reactive metals, neptunium, cerium and americium, is mixed with aluminum or beryllium. The mass is heated at 700 to 1200 deg C, while maintaining a substantial vacuum of above 10/sup -3/ mm of mercury or better, until the halide of the reactive metal is reduced and the metal itself alloys with the reducing metal. The reaction proceeds efficiently due to the volatilization of the halides of the reducing metal, aluminum or beryllium.

  2. Reactive MD Simulation of Shock-Induced Cavitation Damage | Argonne

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

    Leadership Computing Facility Billion atom reactive molecular dynamics simulation of nanobubble collapse in wa Billion atom reactive molecular dynamics simulation of nanobubble collapse in water near a ceramic surface under shock compression. A 2km/sec shock wave compresses the nanobubble and creates high compressive stress and novel chemical reactions (production of hydronium ions) not found under normal conditions. The simulations reveal that high pressure in the shock wave deforms the

  3. (Electronic structure and reactivities of transition metal clusters)

    SciTech Connect (OSTI)

    Not Available

    1992-01-01

    The following are reported: theoretical calculations (configuration interaction, relativistic effective core potentials, polyatomics, CASSCF); proposed theoretical studies (clusters of Cu, Ag, Au, Ni, Pt, Pd, Rh, Ir, Os, Ru; transition metal cluster ions; transition metal carbide clusters; bimetallic mixed transition metal clusters); reactivity studies on transition metal clusters (reactivity with H{sub 2}, C{sub 2}H{sub 4}, hydrocarbons; NO and CO chemisorption on surfaces). Computer facilities and codes to be used, are described. 192 refs, 13 figs.

  4. Project Profile: Chemically Reactive Working Fluids | Department of Energy

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

    Chemically Reactive Working Fluids Project Profile: Chemically Reactive Working Fluids ANL logo -- This project is inactive -- Argonne National Laboratory (ANL), under the 2012 SunShot Concentrating Solar Power (CSP) R&D funding opportunity announcement (FOA), is working to identify and test new heat-transfer fluids (HTFs) that store energy chemically for more efficient energy transfer in CSP applications. Approach Chart with an upward curve with ideal power generation efficiency on the

  5. 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

  6. 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.

  7. 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

    microbial and geochemical phenomena.

  8. 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

  9. Coupled Geochemical Impacts of Leaking CO2 and Contaminants from Subsurface Storage Reservoirs on Groundwater Quality

    SciTech Connect (OSTI)

    Shao, Hongbo; Qafoku, Nikolla; Lawter, Amanda R.; Bowden, Mark E.; Brown, Christopher F.

    2015-07-07

    The leakage of CO2 and the concomitant saline solutions from deep storage reservoirs to overlying groundwater aquifers is considered one of the major potential risks associated with geologic CO2 sequestration (GCS). Batch and column experiments were conducted to determine the fate of trace metals in groundwater in the scenarios of CO2 and metal contaminated brine leakage. The sediments used in this work were collected from an unconsolidated sand and gravel aquifer in Kansas, and contained 0-4 wt% carbonates. Cd and As were spiked into the reaction system to represent potential contaminants from the reservoir brine that could intrude into groundwater aquifers with leaking CO2 at initial concentrations of 114 and 40 ppb, respectively. Through this research we demonstrated that Cd and As were adsorbed on the sediments, in spite of the lowered pH due to CO2 dissolution in the groundwater. Cd concentrations were well below its MCL in both batch and column studies, even for sediment samples without detectable carbonate to buffer the pH. Arsenic concentrations in the effluent were also significantly lower than influent concentration, suggesting that the sediments tested have the capacity to mitigate the coupled adverse effects of CO2 leakage and brine intrusion. However, the mitigation capacity of sediment is a function of its geochemical properties [e.g., the calcite content; the presence of adsorbed As(III); and the presence of P in the natural sediment]. The competitive adsorption between phosphate and arsenate may result in higher concentrations of As in the aqueous phase.

  10. 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 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

  11. 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 Carb

  12. Flash pyrolysis of biomass with reactive and non-reactive gases

    SciTech Connect (OSTI)

    Steinberg, M.; Fallon, P.T.; Sundaram, M.S.

    1985-03-01

    The process chemistry of the flash pyrolysis of biomass (wood) with the reactive gases, H/sub 2/ and CH/sub 4/ and with the non-reactive gases He and N/sub 2/ is being determined in a 1'' downflow tubular reactor at pressures from 20 to 1000 psi and temperatures from 600 to 1000/sup 0/C. With hydrogen, flash hydropyrolysis leads to high yields of methane and CO which can be used for SNG and methanol fuel production. With methane, flash methanolysis leads to high yields of ethylene, benzene and CO which can be used for the production of valuable chemical feedstocks and methanol transportation fuel. At reactor conditions of 50 psi and 1000/sup 0/C and approximately 1 sec residence time, the yields based on pine wood carbon conversion are up to 30% for ethylene, 25% for benzene, and 45% for CO, indicating that over 90% of the carbon in pine is converted to valuable products. Pine wood produces higher yields of hydrocarbon products than Douglas fir wood; the yield of ethylene is 2.3 times higher with methane than with helium or nitrogen, and for pine, the ratio is 7.5 times higher. The mechanism appears to be a free radical reaction between CH/sub 4/ and the pyrolyzed wood. There appears to be no net production or consumption of methane. A preliminary process design and analysis indicates an economically competitive system for the production of ethylene, benzene and methanol based on the methanolysis of wood. 8 refs., 18 figs., 1 tab.

  13. 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.

  14. 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.

  15. 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.

  16. 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.

  17. 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

  18. 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

  19. 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.

  20. 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.

  1. Third (March 2006) Coring and Analysis of Zero-Valent Iron Permeable Reactive Barrier, Monticello, Utah

    Broader source: Energy.gov [DOE]

    Third (March 2006) Coring and Analysis of Zero-Valent Iron Permeable Reactive Barrier, Monticello, Utah

  2. 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

  3. Assessment of the Economic Benefits from Reactive Power Compensation

    SciTech Connect (OSTI)

    Li, Fangxing; Kueck, John D; Rizy, D Tom; Tolbert, Leon M; Zhang, Wenjuan

    2006-01-01

    The U.S. power industry is under great pressure to provide reactive power or Var support. Although it is generally known that there are technical benefits for utilities and industrial customers to provide local reactive power support, a thorough quantitative investigation of the economic benefit is greatly needed. This paper seeks to provide a quantitative approach to evaluate the benefits from local reactive power compensation. This paper investigates the benefits including reduced losses, shifting reactive power flow to real power flow, and increased transfer capability. These benefits are illustrated with a simple two-bus model and then presented with a more complicated model using Optimal Power Flow. Tests are conducted on a system with seven buses in two areas. These simulations show that the economic benefits can be significant, if compared with capacity payment to central generators or power factor penalties applied to utilities. This economic value may give utilities a better understanding of the Var benefits to assist their cost-benefit analysis for Var compensation. In addition, since the economic benefits are significant, this paper suggests that the future reactive power market should consider local Var providers.

  4. Apparatus for making environmentally stable reactive alloy powders

    DOE Patents [OSTI]

    Anderson, Iver E.; Lograsso, Barbara K.; Terpstra, Robert L.

    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.

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

    DOE Patents [OSTI]

    Anderson, Iver E.; Lograsso, Barbara K.; Terpstra, Robert L.

    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.

  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. 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.

  8. 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.

  9. Si etching with reactive neutral beams of very low energy

    SciTech Connect (OSTI)

    Hara, Yasuhiro; Hamagaki, Manabu; Mise, Takaya; Iwata, Naotaka; Hara, Tamio

    2014-12-14

    A Si etching process has been investigated with reactive neutral beams (NBs) extracted using a low acceleration voltage of less than 100 V from CF{sub 4} and Ar mixed plasmas. The etched Si profile shows that the etching process is predominantly anisotropic. The reactive NB has a constant Si etching rate in the acceleration voltage range from 20 V to 80 V. It is considered that low-energy NBs can trigger Si etching because F radicals adsorb onto the Si surface and weaken Si–Si bonds. The etching rate per unit beam flux is 33 times higher than that with Ar NB. These results show that the low-energy reactive NB is useful for damage-free high speed Si etching.

  10. Geologic, geochemical, and geographic controls on NORM in produced water from Texas oil, gas, and geothermal reservoirs. Final report

    SciTech Connect (OSTI)

    Fisher, R.

    1995-08-01

    Water from Texas oil, gas, and geothermal wells contains natural radioactivity that ranges from several hundred to several thousand Picocuries per liter (pCi/L). This natural radioactivity in produced fluids and the scale that forms in producing and processing equipment can lead to increased concerns for worker safety and additional costs for handling and disposing of water and scale. Naturally occurring radioactive materials (NORM) in oil and gas operations are mainly caused by concentrations of radium-226 ({sup 226}Ra) and radium-228 ({sup 228}Ra), daughter products of uranium-238 ({sup 238}U) and thorium-232 ({sup 232}Th), respectively, in barite scale. We examined (1) the geographic distribution of high NORM levels in oil-producing and gas-processing equipment, (2) geologic controls on uranium (U), thorium (Th), and radium (Ra) in sedimentary basins and reservoirs, (3) mineralogy of NORM scale, (4) chemical variability and potential to form barite scale in Texas formation waters, (5) Ra activity in Texas formation waters, and (6) geochemical controls on Ra isotopes in formation water and barite scale to explore natural controls on radioactivity. Our approach combined extensive compilations of published data, collection and analyses of new water samples and scale material, and geochemical modeling of scale Precipitation and Ra incorporation in barite.

  11. 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

  12. 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.

  13. Plasma & reactive ion etching to prepare ohmic contacts

    DOE Patents [OSTI]

    Gessert, Timothy A.

    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.

  14. 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.

  15. 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.

  16. 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.

  17. 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.

  18. 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.

  19. 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.

  20. 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.

  1. 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)

  2. 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

  3. KINETIC MODELING OF A FISCHER-TROPSCH REACTION OVER A COBALT CATALYST IN A SLURRY BUBBLE COLUMN REACTOR FOR INCORPORATION INTO A COMPUTATIONAL MULTIPHASE FLUID DYNAMICS MODEL

    SciTech Connect (OSTI)

    Anastasia Gribik; Doona Guillen, PhD; Daniel Ginosar, PhD

    2008-09-01

    Currently multi-tubular fixed bed reactors, fluidized bed reactors, and slurry bubble column reactors (SBCRs) are used in commercial Fischer Tropsch (FT) synthesis. There are a number of advantages of the SBCR compared to fixed and fluidized bed reactors. The main advantage of the SBCR is that temperature control and heat recovery are more easily achieved. The SBCR is a multiphase chemical reactor where a synthesis gas, comprised mainly of H2 and CO, is bubbled through a liquid hydrocarbon wax containing solid catalyst particles to produce specialty chemicals, lubricants, or fuels. The FT synthesis reaction is the polymerization of methylene groups [-(CH2)-] forming mainly linear alkanes and alkenes, ranging from methane to high molecular weight waxes. The Idaho National Laboratory is developing a computational multiphase fluid dynamics (CMFD) model of the FT process in a SBCR. This paper discusses the incorporation of absorption and reaction kinetics into the current hydrodynamic model. A phased approach for incorporation of the reaction kinetics into a CMFD model is presented here. Initially, a simple kinetic model is coupled to the hydrodynamic model, with increasing levels of complexity added in stages. The first phase of the model includes incorporation of the absorption of gas species from both large and small bubbles into the bulk liquid phase. The driving force for the gas across the gas liquid interface into the bulk liquid is dependent upon the interfacial gas concentration in both small and large bubbles. However, because it is difficult to measure the concentration at the gas-liquid interface, coefficients for convective mass transfer have been developed for the overall driving force between the bulk concentrations in the gas and liquid phases. It is assumed that there are no temperature effects from mass transfer of the gas phases to the bulk liquid phase, since there are only small amounts of dissolved gas in the liquid phase. The product from the

  4. Initiating the Validation of CCIM Processability for Multi-phase all Ceramic (SYNROC) HLW Form: Plan for Test BFY14CCIM-C

    SciTech Connect (OSTI)

    Vince Maio

    2014-08-01

    This plan covers test BFY14CCIM-C which will be a first–of–its-kind demonstration for the complete non-radioactive surrogate production of multi-phase ceramic (SYNROC) High Level Waste Forms (HLW) using Cold Crucible Induction Melting (CCIM) Technology. The test will occur in the Idaho National Laboratory’s (INL) CCIM Pilot Plant and is tentatively scheduled for the week of September 15, 2014. The purpose of the test is to begin collecting qualitative data for validating the ceramic HLW form processability advantages using CCIM technology- as opposed to existing ceramic–lined Joule Heated Melters (JHM) currently producing BSG HLW forms. The major objectives of BFY14CCIM-C are to complete crystalline melt initiation with a new joule-heated resistive starter ring, sustain inductive melting at temperatures between 1600 to 1700°C for two different relatively high conductive materials representative of the SYNROC ceramic formation inclusive of a HLW surrogate, complete melter tapping and pouring of molten ceramic material in to a preheated 4 inch graphite canister and a similar canister at room temperature. Other goals include assessing the performance of a new crucible specially designed to accommodate the tapping and pouring of pure crystalline forms in contrast to less recalcitrant amorphous glass, assessing the overall operational effectiveness of melt initiation using a resistive starter ring with a dedicated power source, and observing the tapped molten flow and subsequent relatively quick crystallization behavior in pans with areas identical to standard HLW disposal canisters. Surrogate waste compositions with ceramic SYNROC forming additives and their measured properties for inductive melting, testing parameters, pre-test conditions and modifications, data collection requirements, and sampling/post-demonstration analysis requirements for the produced forms are provided and defined.

  5. 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

  6. 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.

  7. Method and apparatus for measuring reactivity of fissile material

    DOE Patents [OSTI]

    Lee, David M.; Lindquist, Lloyd O.

    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.

  8. NO2 oxidation reactivity and burning mode of diesel particulates

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

    Strzelec, Andrea; Vander Wal, Randy L.; Thompson, Thomas N.; Toops, Todd J.; Daw, C. Stuart

    2016-03-24

    The NO2 oxidation kinetics and burning mode for diesel particulate from light-duty and medium-duty engines fueled with either ultra low sulfur diesel or soy methyl ester biodiesel blends have been investigated and are shown to be significantly different from oxidation by O2. Oxidation kinetics were measured using a flow-through packed bed microreactor for temperature programmed reactions and isothermal differential pulsed oxidation reactions. The burning mode was evaluated using the same reactor system for flowing BET specific surface area measurements and HR-TEM with fringe analysis to evaluate the nanostructure of the nascent and partially oxidized particulates. The low activation energy measured,more » specific surface area progression with extent of oxidation, HR-TEM images and difference plots of fringe length and tortuosity paint a consistent picture of higher reactivity for NO2, which reacts indiscriminately immediately upon contact with the surface, leading to the Zone I or shrinking core type oxidation. In comparison, O2 oxidation is shown to have relatively lower reactivity, preferentially attacking highly curved lamella, which are more reactive due to bond strain, and short lamella, which have a higher proportion of more reactive edge sites. Furthermore, this preferential oxidation leads to Zone II type oxidation, where solid phase diffusion of oxygen via pores contributes significantly to slowing the overall oxidation rate, by comparison.« less

  9. 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.

  10. 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.

  11. 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

  12. 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.

  13. 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.

  14. Data Package of Samples Collected for Hydrogeologic and Geochemical Characterization: 300 Area RI/FS Sediment Cores

    SciTech Connect (OSTI)

    Lindberg, Michael J.; Bjornstad, Bruce N.; Lanigan, David C.; Williams, Benjamin D.

    2011-05-01

    This is a data package for sediment samples received from the 300 FF 5 OU. This report was prepared for CHPRC. Between August 16, 2010 and April 25, 2011 sediment samples were received from 300-FF-5 for geochemical studies. The analyses for this project were performed at the 331 building located in the 300 Area of the Hanford Site. The analyses were performed according to Pacific Northwest National Laboratory (PNNL) approved procedures and/or nationally recognized test procedures. The data sets include the sample identification numbers, analytical results, estimated quantification limits (EQL), and quality control data. The preparatory and analytical quality control requirements, calibration requirements, acceptance criteria, and failure actions are defined in the on-line QA plan 'Conducting Analytical Work in Support of Regulatory Programs' (CAW). This QA plan implements the Hanford Analytical Services Quality Assurance Requirements Documents (HASQARD) for PNNL.

  15. The integration of geochemical, geological and engineering data to determine reservoir continuity in the Iagifu-Hedinia field, Papua New Guinea

    SciTech Connect (OSTI)

    Kaufman, R.L.; Eisenberg, L.I.; Fitzmorris, R.E.

    1995-08-01

    A series of oil and gas fields, including Iagifu-Hedinia, occur along the leading edge of the Papuan fold and thrust belt. Formed during Pliocene to Recent compression, they are structurally complex, and typically broken into multiple reservoir compartments. The presence of the karstic Darai Limestone at the surface over most of the fold belt prevents acquisition of useful seismic data. Reservoir mapping, and establishment of reservoir continuity, is therefore based soley on (1) surface geologic data, (2) drilling data; initially dipmeter and RFT pressure data, and subsequently well production histories, and (3) geochemical correlation of reservoir fluids. During appraisal of the Iagifu-Hedinia discovery, these complimentary data sets demonstrated that (1) a single hydrocarbon column existed above a flowing aquifer in the main block of Iagifu-Hedinia field, (2) a separate acuumulation existed in the Usano area. Geochemical data have suggested the presence of reservoir compartments where other data were missing or inconclusive. Subsequently-acquired production history data have confirmed the geochemically-based interpretations. Geochemical data suggest that oils at Iagifu-Hedinia have a common source. The slight differences in oil composition between reservoirs are likely due to multiple phases of expulsion from the same source rock and/or migration-fractionation.

  16. 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.

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

    Broader source: Energy.gov [DOE]

    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.

  18. A Reactive Force Field study of Li/C Systems for Electrical Energy...

    Office of Scientific and Technical Information (OSTI)

    A 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 ...

  19. Reactive codoping of GaAlInP compound semiconductors (Patent...

    Office of Scientific and Technical Information (OSTI)

    Patent: Reactive codoping of GaAlInP compound semiconductors Citation Details In-Document Search Title: Reactive codoping of GaAlInP compound semiconductors A GaAlInP compound ...

  20. Development of a Full-core Reactivity Equivalence for FeCrAl...

    Office of Scientific and Technical Information (OSTI)

    Reactivity Equivalence for FeCrAl Enhanced Accident Tolerant Fuel in BWRs Citation Details In-Document Search Title: Development of a Full-core Reactivity Equivalence for ...

  1. Catalytic and reactive polypeptides and methods for their preparation and use

    DOE Patents [OSTI]

    Schultz, Peter

    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.

  2. 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.

  3. 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.

  4. Fuel temperature reactivity coefficient calculation by Monte Carlo perturbation techniques

    SciTech Connect (OSTI)

    Shim, H. J.; Kim, C. H.

    2013-07-01

    We present an efficient method to estimate the fuel temperature reactivity coefficient (FTC) by the Monte Carlo adjoint-weighted correlated sampling method. In this method, a fuel temperature change is regarded as variations of the microscopic cross sections and the temperature in the free gas model which is adopted to correct the asymptotic double differential scattering kernel. The effectiveness of the new method is examined through the continuous energy MC neutronics calculations for PWR pin cell problems. The isotope-wise and reaction-type-wise contributions to the FTCs are investigated for two free gas models - the constant scattering cross section model and the exact model. It is shown that the proposed method can efficiently predict the reactivity change due to the fuel temperature variation. (authors)

  5. 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.

  6. 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.

  7. Reactive Membrane Barriers for Containment of Subsurface Contamination

    SciTech Connect (OSTI)

    William A. Arnold; Edward L. Cussler

    2007-02-26

    The overall goal of this project was to develop reactive membrane barriers--a new and flexible technique to contain and stabilize subsurface contaminants. Polymer membranes will leak once a contaminant is able to diffuse through the membrane. By incorporating a reactive material in the polymer, however, the contaminant is degraded or immobilized within the membrane. These processes increase the time for contaminants to breakthrough the barrier (i.e. the lag time) and can dramatically extend barrier lifetimes. In this work, reactive barrier membranes containing zero-valent iron (Fe{sup 0}) or crystalline silicotitanate (CST) were developed to prevent the migration of chlorinated solvents and cesium-137, respectively. These studies were complemented by the development of models quantifying the leakage/kill time of reactive membranes and describing the behavior of products produced via the reactions within the membranes. First, poly(vinyl alcohol) (PVA) membranes containing Fe{sup 0} and CST were prepared and tested. Although PVA is not useful in practical applications, it allows experiments to be performed rapidly and the results to be compared to theory. For copper ions (Cu{sup 2+}) and carbon tetrachloride, the barrier was effective, increasing the time to breakthrough over 300 times. Even better performance was expected, and the percentage of the iron used in the reaction with the contaminants was determined. For cesium, the CST laden membranes increased lag times more than 30 times, and performed better than theoretical predictions. A modified theory was developed for ion exchangers in reactive membranes to explain this result. With the PVA membranes, the effect of a groundwater matrix on barrier performance was tested. Using Hanford groundwater, the performance of Fe{sup 0} barriers decreased compared to solutions containing a pH buffer and high levels of chloride (both of which promote iron reactivity). For the CST bearing membrane, performance improved by a

  8. 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)

  9. 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 Alternatives for Mending a Permeable Reactive Barrier at a Former Uranium Milling Site: Monticello, Utah (4.47 MB) More

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

    Office of Scientific and Technical Information (OSTI)

    ... Subject: CO2 reservoir, reactive transport, geochemistry, geomechanics, geomechanical modeling, mineral composition, homogenization, fault, hydraulic fracture, elastic modulus Word ...

  11. 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)

  12. Reactive MD Simulations of Electrochemical Oxide Interfaces at Mesoscale |

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

    Argonne Leadership Computing Facility molecular dynamics demonstrating the sintering mechanism under the influence of e-field Large-scale reactive molecular dynamics demonstrating the sintering mechanism under the influence of e-field. Tailoring the properties of nanoscale oxide-based technologies such as chemical activity, efficiency, durability, and reliability requires a better understanding of the nanoscale oxide growth kinetics under various oxidation conditions, the resulting film

  13. Reactive MD Simulations of Electrochemical Oxide Interfaces at Mesoscale |

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

    Argonne Leadership Computing Facility Large-scale reactive molecular dynamics demonstrating the sintering mechanism under the influence of e-field. Tailoring the properties of nanoscale oxide-based technologies such as chemical activity, efficiency, durability, and reliability requires a better understanding of the nanoscale oxide growth kinetics under various oxidation conditions, the resulting film morphology, as well as their functional properties. Subramanian Sankaranarayanan, Argonne

  14. Variations in Reactivity on Different Crystallographic Orientations of Cerium Oxide

    SciTech Connect (OSTI)

    Mullins, David R; Albrecht, Peter M; Calaza, Florencia C

    2013-01-01

    Cerium oxide is a principal component in many heterogeneous catalytic processes. One of its key characteristics is the ability to provide or remove oxygen in chemical reactions. The different crystallographic faces of ceria present significantly different surface structures and compositions that may alter the catalytic reactivity. The structure and composition determine the number of coordination vacancies surrounding surface atoms, the availability of adsorption sites, the spacing between adsorption sites and the ability to remove O from the surface. To investigate the role of surface orientation on reactivity, CeO2 films were grown with two different orientations. CeO2(100) films were grown ex situ by pulsed laser deposition on Nb-doped SrTiO3(100). CeO2(111) films were grown in situ by thermal deposition of Ce metal onto Ru(0001) in an oxygen atmosphere. The chemical reactivity was characterized by the adsorption and decomposition of various molecules such as alcohols, aldehydes and organic acids. In general the CeO2(100) surface was found to be more active, i.e. molecules adsorbed more readily and reacted to form new products, especially on a fully oxidized substrate. However the CeO2(100) surface was less selective with a greater propensity to produce CO, CO2 and water as products. The differences in chemical reactivity are discussed in light of possible structural terminations of the two surfaces. Recently nanocubes and nano-octahedra have been synthesized that display CeO2(100) and CeO2(111) faces, respectively. These nanoparticles enable us to correlate reactions on high surface area model catalysts at atmospheric pressure with model single crystal films in a UHV environment.

  15. Simulations of Deflagration-to-Detonation Transition in Reactive Gases |

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

    Argonne Leadership Computing Facility Simulations of Deflagration-to-Detonation Transition in Reactive Gases PI Name: Alexei Khokhlov PI Email: ajk@oddjob.uchicago.edu Institution: University of Chicago Allocation Program: INCITE Allocation Hours at ALCF: 20,000,000 Year: 2012 Research Domain: Chemistry First-principles direct numerical simulations explain and predict high-speed combustion and deflagration-to-detonation transition (DDT) in hydrogen-oxygen gaseous mixtures. DDT and the

  16. 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

  17. Elementary surface processes during reactive magnetron sputtering of chromium

    SciTech Connect (OSTI)

    Monje, Sascha; Corbella, Carles Keudell, Achim von

    2015-10-07

    The elementary surface processes occurring on chromium targets exposed to reactive plasmas have been mimicked in beam experiments by using quantified fluxes of Ar ions (400–800 eV) and oxygen atoms and molecules. For this, quartz crystal microbalances were previously coated with Cr thin films by means of high-power pulsed magnetron sputtering. The measured growth and etching rates were fitted by flux balance equations, which provided sputter yields of around 0.05 for the compound phase and a sticking coefficient of O{sub 2} of 0.38 on the bare Cr surface. Further fitted parameters were the oxygen implantation efficiency and the density of oxidation sites at the surface. The increase in site density with a factor 4 at early phases of reactive sputtering is identified as a relevant mechanism of Cr oxidation. This ion-enhanced oxygen uptake can be attributed to Cr surface roughening and knock-on implantation of oxygen atoms deeper into the target. This work, besides providing fundamental data to control oxidation state of Cr targets, shows that the extended Berg's model constitutes a robust set of rate equations suitable to describe reactive magnetron sputtering of metals.

  18. 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.

  19. 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.

  20. 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

  1. 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...

  2. Flash pyrolysis of biomass with reactive and non-reactive gases. Summary report, March 1982-March 1983

    SciTech Connect (OSTI)

    Steinberg, M.; Fallon, P.T.; Sundaram, M.S.

    1983-03-01

    The process chemistry of the flash pyrolysis of biomass (wood) with the reactive gases, H/sub 2/ and CH/sub 4/ and with the non-reactive gas He is being determined in a 1'' downflow tubular reactor at pressures from 20 to 1000 psi and temperatures from 600 to 1000/sup 0/C. With hydrogen, flash hydropyrolysis leads to high yields of methane and CO which can be used for SNG and methanol production. With methane, flash methanolysis of wood, leads to high yields of ethylene, benzene and CO which can be used for the production of valuable feedstocks and methanol fuel. At reactor conditions of 50 psi and 1000/sup 0/C and approximately 1 sec residence time, the ethylene yield based on wood carbon converted is 22%, benzene 12% and the CO yield is 48%. The yield of ethylene is 2.2 times higher with methane than with helium, thus indicating a free radical rection between CH/sub 4/ and the pyrolyzed wood. A preliminary process analysis indicates an economically competitive process for the production of ethylene, benzene and methanol based on the methanolysis of wood. It is recommended to further develop the data base for the flash pyrolysis of wood and other biomass materials with methane as well as with other reactive gases (e.g. CO and CO/sub 2/) and determine the role of the hemi-cellulose and lignin in the formation of these valuable fuels and feedstocks.

  3. Synthesis and processing of composites by reactive metal penetration

    SciTech Connect (OSTI)

    Loehman, R.E.; Ewsuk, K.G.; Tomsia, A.P.

    1997-04-01

    Achieving better performance in commercial products and processes often is dependent on availability of new and improved materials. Ceramic-metal composites have advantages over more conventional materials because of their high stiffness-to-weight ratios, good fracture toughness, and because their electrical and thermal properties can be varied through control of their compositions and microstructures. However, ceramic composites will be more widely used only when their costs are competitive with other materials and when designers have more confidence in their reliability. Over the past four years reactive metal penetration has been shown to be a promising technique for making ceramic and metal-matrix composites to near-net-shape with control of both composition and microstructure. It appears that, with sufficient development, reactive metal penetration could be an economical process for manufacturing many of the advanced ceramic composites that are needed for light-weight structural and wear applications for transportation and energy conversion devices. Near-net-shape fabrication of parts is a significant advantage because costly and energy intensive grinding and machining operations are substantially reduced, and the waste generated from such finishing operations is minimized. The most promising compositions to date consist of Al and Al{sub 2}O{sub 3}; thus, these composites should be of particular interest to the aluminum industry. The goals of this ceramic-metal composite research and development program are: (1) to identify compositions favorable for making composites by reactive metal penetration; (2) to understand the mechanism(s) by which these composites are formed; (3) to control and optimize the process so that composites and composite coatings can be made economically; and (4) to apply R&D results to problems of interest to the aluminum industry.

  4. 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.

  5. 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.

  6. Advanced hydraulic fracturing methods to create in situ reactive barriers

    SciTech Connect (OSTI)

    Murdoch, L. |; Siegrist, B.; Vesper, S.

    1997-12-31

    Many contaminated areas consist of a source area and a plume. In the source area, the contaminant moves vertically downward from a release point through the vadose zone to an underlying saturated region. Where contaminants are organic liquids, NAPL may accumulate on the water table, or it may continue to migrate downward through the saturated region. Early developments of permeable barrier technology have focused on intercepting horizontally moving plumes with vertical structures, such as trenches, filled with reactive material capable of immobilizing or degrading dissolved contaminants. This focus resulted in part from a need to economically treat the potentially large volumes of contaminated water in a plume, and in part from the availability of construction technology to create the vertical structures that could house reactive compounds. Contaminant source areas, however, have thus far remained largely excluded from the application of permeable barrier technology. One reason for this is the lack of conventional construction methods for creating suitable horizontal structures that would place reactive materials in the path of downward-moving contaminants. Methods of hydraulic fracturing have been widely used to create flat-lying to gently dipping layers of granular material in unconsolidated sediments. Most applications thus far have involved filling fractures with coarse-grained sand to create permeable layers that will increase the discharge of wells recovering contaminated water or vapor. However, it is possible to fill fractures with other compounds that alter the chemical composition of the subsurface. One early application involved development and field testing micro-encapsulated sodium percarbonate, a solid compound that releases oxygen and can create aerobic conditions suitable for biodegradation in the subsurface for several months.

  7. Gas sampling system for reactive gas-solid mixtures

    DOE Patents [OSTI]

    Daum, Edward D.; Downs, William; Jankura, Bryan J.; McCoury, Jr., John M.

    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.

  8. Gas sampling system for reactive gas-solid mixtures

    DOE Patents [OSTI]

    Daum, Edward D.; Downs, William; Jankura, Bryan J.; McCoury, Jr., John M.

    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.

  9. 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.

  10. 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.

  11. 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.

  12. Method for preparing hydride configurations and reactive metal surfaces

    DOE Patents [OSTI]

    Silver, Gary L.

    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.

  13. Method for preparing hydride configurations and reactive metal surfaces

    SciTech Connect (OSTI)

    Silver, G L

    1986-11-28

    Disclosed is a method for preparing highly hydrogen-reactive surfaces on metals which normally require substantial heating, high pressures, or an extended induction period. The method involves pretreatment of surfaces with either a nonoxidizing acid or hydrogen gas to form a hydrogen-bearing coating. The coated metal is heated in the absence of moisture and oxygen for a period sufficient to decompose the coating, and then cooled 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. 3 figs.

  14. 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

  15. Hybrid nuclear reactor grey rod to obtain required reactivity worth

    DOE Patents [OSTI]

    Miller, John V.; Carlson, William R.; Yarbrough, Michael B.

    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.

  16. Synthesis of belite cement clinker of high hydraulic reactivity

    SciTech Connect (OSTI)

    Kacimi, Larbi Simon-Masseron, Angelique Salem, Souria Ghomari, Abdelhamid Derriche, Zoubir

    2009-07-15

    This study is concerned with the increase of the cooling rate of belite clinker, by using the water quenching for the chemical stabilization of reactive belite, which improves the hydraulic properties of this clinker. The addition of adequate mineralizers, as NaF and Fe{sub 2}O{sub 3}, contributes to the improvement of the clinker properties obtained at low burning temperature. X-ray fluorescence spectroscopy, X-ray diffraction analysis and optical microscopy were used to determine the chemical and mineralogical compositions of this clinker. The samples were analyzed by means of a scanning electronic microscope connected with an energy-dispersive X-ray spectrometer to detect the composition of the belite phase and its morphology. Physical and mechanical properties of this clinker cement were determined. The results show that the belite clinker obtained at 1150 {sup o}C, with lime saturation factor 0.67, is characterized by a great hydraulic reactivity, similar to that of the ordinary alite clinker. The addition of 2% of NaF and the water quenching improved the chemical, mineralogical and structural properties, while improving the cement hydraulic properties.

  17. 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.

  18. 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.

  19. PACKAGE (Plasma Analysis, Chemical Kinetics and Generator Efficiency): a computer program for the calculation of partial chemical equilibrium/partial chemical rate controlled composition of multiphased mixtures under one dimensional steady flow

    SciTech Connect (OSTI)

    Yousefian, V.; Weinberg, M.H.; Haimes, R.

    1980-02-01

    The NASA CEC Code was the starting point for PACKAGE, whose function is to evaluate the composition of a multiphase combustion product mixture under the following chemical conditions: (1) total equilibrium with pure condensed species; (2) total equilibrium with ideal liquid solution; (3) partial equilibrium/partial finite rate chemistry; and (4) fully finite rate chemistry. The last three conditions were developed to treat the evolution of complex mixtures such as coal combustion products. The thermodynamic variable pairs considered are either pressure (P) and enthalpy, P and entropy, at P and temperature. Minimization of Gibbs free energy is used. This report gives detailed discussions of formulation and input/output information used in the code. Sample problems are given. The code development, description, and current programming constraints are discussed. (DLC)

  20. 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.

  1. Performance of a Permeable Reactive Barrier Using Granular Zero-Valent

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

    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 Performance of a Permeable

  2. In-Cylinder Mechanisms of PCI Heat-Release Rate Control by Fuel Reactivity

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

    Stratification | Department of Energy Mechanisms of PCI Heat-Release Rate Control by Fuel Reactivity Stratification In-Cylinder Mechanisms of PCI Heat-Release Rate Control by Fuel Reactivity Stratification Explores in-cylinder mechanisms by which fuel reactivity stratification via a two fuel system affects premixed charge compression ignition heat release rate to achieve diesel-like efficiency deer11_kokjohn.pdf (3.98 MB) More Documents & Publications Heavy-Duty Low-Temperature and

  3. 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

  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. 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.

  7. 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

  8. Flash pyrolysis of biomass with reactive and nonreactive gases

    SciTech Connect (OSTI)

    Sundaram, M.S.; Steinberg, M.; Fallon, P.

    1982-10-01

    Studies were done on the flash pyrolysis of Douglas fir wood in the presence of reactive and nonreactive gases including hydrogen, methane, and helium. Pyrolysis and gasification of the wood particles was done in one step, without catalysts. Almost complete (98%) gasification of the carbon in Douglas fir wood was achieved at 1000/sup 0/C and 500-psi hydrogen pressure. The reaction products were methane, ethane, ethylene, carbon monoxide, BTX, and water. Flash hydropyrolysis produced a large yield of hydrocarbon gases (up to 78% C) comprising methane and ethane. High yields of ethylene (up to 21% C) and BTX (up to 12% C) were obtained via methane pyrolysis of fir wood; a free-radical mechanism is proposed to explain the enhanced yield of ethylene in a methane atmosphere.

  9. 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.

  10. Transparent electrical conducting films by activated reactive evaporation

    DOE Patents [OSTI]

    Bunshah, Rointan; Nath, Prem

    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. 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

  12. 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

  13. 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.

  14. 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.

  15. 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

  16. Geochemical engineering reference manual

    SciTech Connect (OSTI)

    Owen, L.B.; Michels, D.E.

    1984-01-01

    The following topics are included in this manual: physical and chemical properties of geothermal brine and steam, scale and solids control, processing spent brine for reinjection, control of noncondensable gas emissions, and goethermal mineral recovery. (MHR)

  17. Geochemical indicators of depositional environment and soruce-rock potential for the Upper Ordovician Maquoketa Group, Illinois basin

    SciTech Connect (OSTI)

    Guthrie, J.M.; Pratt, L.M. )

    1994-05-01

    Two depositional cycles are recognized within the Upper Ordovician Maquoketa Group of the Illinois basin in a core from the New Jersey Zinc 1 Parrish well of Fulton County, Illinois. Organic carbon (C[sub org]), total sulfur, [sup 13]C content of the organic carbon ([delta][sup 13]C[sub org]), hydrogen and oxygen indices (HI and OI) from Rock-Eval pyrolysis and yields of extractable organic matter (EOM) vary through the cycles. Dark-brown to black, laminated shales are present in the lower portion of each cycle and have high values of C[sub org] (1.0-3.0%), HI (500-1000 mg hydrocarbon [HC]/g total organic carbon[TOC]), and EOM (500-2500 ppm), and more negative [delta][sup 13]C[sub org] values ([delta][sup 13]C[sub org] = -30 to -30.5%). Gray to greenish-gray, bioturbated shales are present in the upper portion of each cycle and have low values of C[sub org] (<1.0%), HI (<500 mg HC/g TOC), and EOM (<500 ppm), and more positive [delta][sup 13]C[sub org] values (-28.5 to 29.5%) compared to the laminated shales. Although thermally immature or marginally mature in this core, the laminated shales represent potential source rock s for petroleum because they contain good to excellent quantities of oil-prone organic matter and are more deeply buried in other areas of the basin. Kerogen elemental data and Rock-Eval data suggest that the source of organic matter in the Maquoketa was uniform, with the notable exception of graptolite-rich layers. Distributions of saturated hydrocarbons for Maquoketa samples resemble those derived from amorphous organic matter. Variations in bulk geochemical data and carbon isotopic compositions within the Maquoketa Group indicate substantial reworking and degradation of organic matter associated with bioturbation and oxygenated depositional conditions. 64 refs., 10 figs., 1 tab.

  18. Geochemical Processes Data Package for the Vadose Zone in the Single-Shell Tank Waste Management Areas at the Hanford Site

    SciTech Connect (OSTI)

    Cantrell, Kirk J.; Zachara, John M.; Dresel, P. Evan; Krupka, Kenneth M.; Serne, R. Jeffrey

    2007-09-28

    This data package discusses the geochemistry of vadose zone sediments beneath the single-shell tank farms at the U.S. Department of Energy’s (DOE’s) Hanford Site. The purpose of the report is to provide a review of the most recent and relevant geochemical process information available for the vadose zone beneath the single-shell tank farms and the Integrated Disposal Facility. Two companion reports to this one were recently published which discuss the geology of the farms (Reidel and Chamness 2007) and groundwater flow and contamination beneath the farms (Horton 2007).

  19. Reactivity-controlled compression ignition drive cycle emissions and fuel economy estimations using vehicle system simulations

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

    Curran, Scott J.; Gao, Zhiming; Wagner, Robert M.

    2014-12-22

    In-cylinder blending of gasoline and diesel to achieve reactivity-controlled compression ignition has been shown to reduce NOX and soot emissions while maintaining or improving brake thermal efficiency as compared with conventional diesel combustion. The reactivity-controlled compression ignition concept has an advantage over many advanced combustion strategies in that the fuel reactivity can be tailored to the engine speed and load, allowing stable low-temperature combustion to be extended over more of the light-duty drive cycle load range. In this paper, a multi-mode reactivity-controlled compression ignition strategy is employed where the engine switches from reactivity-controlled compression ignition to conventional diesel combustion whenmore » speed and load demand are outside of the experimentally determined reactivity-controlled compression ignition range. The potential for reactivity-controlled compression ignition to reduce drive cycle fuel economy and emissions is not clearly understood and is explored here by simulating the fuel economy and emissions for a multi-mode reactivity-controlled compression ignition–enabled vehicle operating over a variety of US drive cycles using experimental engine maps for multi-mode reactivity-controlled compression ignition, conventional diesel combustion, and a 2009 port-fuel injected gasoline engine. Drive cycle simulations are completed assuming a conventional mid-size passenger vehicle with an automatic transmission. Multi-mode reactivity-controlled compression ignition fuel economy simulation results are compared with the same vehicle powered by a representative 2009 port-fuel injected gasoline engine over multiple drive cycles. Finally, engine-out drive cycle emissions are compared with conventional diesel combustion, and observations regarding relative gasoline and diesel tank sizes needed for the various drive cycles are also summarized.« less

  20. Reactivity-controlled compression ignition drive cycle emissions and fuel economy estimations using vehicle system simulations

    SciTech Connect (OSTI)

    Curran, Scott J.; Gao, Zhiming; Wagner, Robert M.

    2014-12-22

    In-cylinder blending of gasoline and diesel to achieve reactivity-controlled compression ignition has been shown to reduce NOX and soot emissions while maintaining or improving brake thermal efficiency as compared with conventional diesel combustion. The reactivity-controlled compression ignition concept has an advantage over many advanced combustion strategies in that the fuel reactivity can be tailored to the engine speed and load, allowing stable low-temperature combustion to be extended over more of the light-duty drive cycle load range. In this paper, a multi-mode reactivity-controlled compression ignition strategy is employed where the engine switches from reactivity-controlled compression ignition to conventional diesel combustion when speed and load demand are outside of the experimentally determined reactivity-controlled compression ignition range. The potential for reactivity-controlled compression ignition to reduce drive cycle fuel economy and emissions is not clearly understood and is explored here by simulating the fuel economy and emissions for a multi-mode reactivity-controlled compression ignition–enabled vehicle operating over a variety of US drive cycles using experimental engine maps for multi-mode reactivity-controlled compression ignition, conventional diesel combustion, and a 2009 port-fuel injected gasoline engine. Drive cycle simulations are completed assuming a conventional mid-size passenger vehicle with an automatic transmission. Multi-mode reactivity-controlled compression ignition fuel economy simulation results are compared with the same vehicle powered by a representative 2009 port-fuel injected gasoline engine over multiple drive cycles. Finally, engine-out drive cycle emissions are compared with conventional diesel combustion, and observations regarding relative gasoline and diesel tank sizes needed for the various drive cycles are also summarized.

  1. Etching radical controlled gas chopped deep reactive ion etching

    DOE Patents [OSTI]

    Olynick, Deidre; Rangelow, Ivo; Chao, Weilun

    2013-10-01

    A method for silicon micromachining techniques based on high aspect ratio reactive ion etching with gas chopping has been developed capable of producing essentially scallop-free, smooth, sidewall surfaces. The method uses precisely controlled, alternated (or chopped) gas flow of the etching and deposition gas precursors to produce a controllable sidewall passivation capable of high anisotropy. The dynamic control of sidewall passivation is achieved by carefully controlling fluorine radical presence with moderator gasses, such as CH.sub.4 and controlling the passivation rate and stoichiometry using a CF.sub.2 source. In this manner, sidewall polymer deposition thicknesses are very well controlled, reducing sidewall ripples to very small levels. By combining inductively coupled plasmas with controlled fluorocarbon chemistry, good control of vertical structures with very low sidewall roughness may be produced. Results show silicon features with an aspect ratio of 20:1 for 10 nm features with applicability to nano-applications in the sub-50 nm regime. By comparison, previous traditional gas chopping techniques have produced rippled or scalloped sidewalls in a range of 50 to 100 nm roughness.

  2. 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.

  3. Spectroscopy, Thermochemistry, and Reactivity of Lanthanide and Actinide Molecules

    SciTech Connect (OSTI)

    Morse, Michael D.; Armentrout, Peter B.

    2012-08-16

    The research undertaken under this grant is described in this document. The document describes progress in the construction of an instrument for recording photodissociation action spectra of mass-selected cryo-cooled cations. The instrument is not yet functional, but we anticipate trapping ions and conducting photodissociation experiments before the end of the year. It also describes resonant two-photon ionization spectra that have been recorded for uranium mononitride (UN) in the visible portion of the spectrum. These experiments are still underway at the present time. Although the spectra are a bit difficult to properly fit, due to upper state perturbations, it appears that the molecule has a ground state with {Omega} = 3.5 and a bond length of approximately 1.76 {angstrom}. Finally, results on the thermochemistry and reactivity of Th{sup +} are presented. In these studies the bond energies of the following bonds have been determined: D{sub 0}(Th{sup +}-2O) = 10.2 {+-} 0.2 eV; D0(Th{sup +}-N) = 6.69 {+-} 0.35 eV; D0(Th{sup +}-O) = 8.40 {+-} 0.28 eV; D{sub 0}(OTh{sup +}-O) = 1.8 {+-} 0.4 eV.

  4. Reactivity of amine antioxidants relative to OH and anti e

    SciTech Connect (OSTI)

    Minkhadzhidinova, D.R.; Nikiforov, G.A.; Khrapova, N.G.; Sharpatyi, V.A.

    1986-06-20

    An ESR study was carried out on the reactivity of various types of amines relative to OH/sup ./ and anti e. The selection of these compounds having anti-oxidant properties was also based on the circumstance that amine molecules contain a set of functional groups which may be potential sites for the attack of both OH and anti e radicals. A sample of 6 M H/sub 3/PO/sub 4/ was used for the matrix solutions and forms a glass upon rapid insertion into liquid nitrogen. The phosphoric acid solutions of these compounds taken in concentrations from 0.025 to 0.05 M were flushed with argon to remove oxygen. Ampules containing the solutions were inserted into liquid nitrogen and irradiated from a cobalt source. The ESR spectra of the irradiated solutions clearly show the components of the atomic hydrogen doublet with a = 50 mT and of H/sub 2/PO/sub 4//sup ./ radicals in the central region of the spectrum.

  5. Installation of reactive metals groundwater collection and treatment systems

    SciTech Connect (OSTI)

    Hopkins, J.K.; Primrose, A.L.; Vogan, J.; Uhland, J.

    1998-07-01

    Three groundwater plumes contaminated with volatile organic compounds (VOCs) and radionuclides at the Rocky Flats Environmental Technology Site are scheduled for remediation by 1999 based on the Rocky Flats Cleanup Agreement (RFCA) (DOE, 1996). These three plumes are among the top 20 environmental cleanup sites at Rocky Flats. One of these plumes, the Mound Site Plume, is derived from a previous drum storage area, and daylights as seeps near the South Walnut Creek drainage. Final design for remediation of the Mound Site Plume has been completed based on use of reactive metals to treat the contaminated groundwater, and construction is scheduled for early 1998. The two other plumes, the 903 Pad/Ryan`s Pit and the East Trenches Plumes, are derived from VOCs either from drums that leaked or that were disposed of in trenches. These two plumes are undergoing characterization and conceptual design in 1998 and construction is scheduled in 1999. The contaminants of concern in these plumes are tetrachloroethene, trichloroethene, carbon tetrachloride and low levels of uranium and americium.

  6. Apparatus for continuously referenced analysis of reactive components in solution

    DOE Patents [OSTI]

    Bostick, William D.; Denton, Mark S.; Dinsmore, Stanley R.

    1981-01-01

    A continuously referenced apparatus for measuring the concentration of a reactive chemical species in solution comprises in combination conduit means for introducing a sample solution, means for introducing one or more reactants into a sample solution, a reaction zone in fluid communication with said conduit means wherein a first chemical reaction occurs between said species and reactants, and a stream separator disposed within the conduit means for separating the sample solution into a sample stream and a reference stream. An enzymatic reactor is disposed in fluid communication with only the sample stream wherein a second reaction takes place between the said reactants, species, and reactor enzymes causing the consumption or production of an indicator species in just the sample stream. Measurement means such as a photometric system are disposed in communication with the sample and reference streams, and the outputs of the measurement means are compared to provide a blanked measurement of the concentration of indicator species. A peristaltic pump is provided to equalize flow through the apparatus by evacuation. The apparatus is particularly suitable for measurement of isoenzymes in body tissues or fluids.

  7. LX-17 Corner-Turning and Reactive Flow Failure

    SciTech Connect (OSTI)

    Souers, P C; Andreski, H; Cook III, C F; Garza, R; Pastrone, R; Phillips, D; Roeske, F; Vitello, P; Molitoris, J

    2004-03-11

    We have performed a series of highly-instrumented experiments examining corner-turning of detonation. A TATB booster is inset 15 mm into LX-17 (92.5% TATB, 7.5% kel-F) so that the detonation must turn a right angle around an air well. An optical pin located at the edge of the TATB gives the start time of the corner-turn. The breakout time on the side and back edges is measured with streak cameras. Three high-resolution X-ray images were taken on each experiment to examine the details of the detonation. We have concluded that the detonation cannot turn the corner and subsequently fails, but the shock wave continues to propagate in the unreacted explosive, leaving behind a dead zone. The detonation front farther out from the corner slowly turns and eventually reaches the air well edge 180{sup o} from its original direction. The dead zone is stable and persists 7.7 {micro}s after the corner-turn, although it has drifted into the original air well area. Our regular reactive flow computer models sometimes show temporary failure but they recover quickly and are unable to model the dead zones. We present a failure model that cuts off the reaction rate below certain detonation velocities and reproduces the qualitative features of the corner-turning failure.

  8. Reactivity of iron-bearing minerals and CO2 sequestration: A multi-disciplinary experimental approach

    SciTech Connect (OSTI)

    Schoonen, Martin A.

    2014-12-22

    The reactivity of sandstones was studied under conditions relevant to the injection of supercritical carbon dioxide in the context of carbon geosequestration. The emphasis of the study was on the reactivity of iron-bearing minerals when exposed to supercritical CO2 (scCO2) and scCO2 with commingled aqueous solutions containing H2S and/or SO2. Flow through and batch experiments were conducted. Results indicate that sandstones, irrespective of their mineralogy, are not reactive when exposed to pure scCO2 or scCO2 with commingled aqueous solutions containing H2S and/or SO2 under conditions simulating the environment near the injection point (flow through experiments). However, sandstones are reactive under conditions simulating the edge of the injected CO2 plume or ahead of the plume (batch experiments). Sandstones containing hematite (red sandstone) are particularly reactive. The composition of the reaction products is strongly dependent on the composition of the aqueous phase. The presence of dissolved sulfide leads to the conversion of hematite into pyrite and siderite. The relative amount of the pyrite and siderite is influenced by the ionic strength of the solution. Little reactivity is observed when sulfite is present in the aqueous phase. Sandstones without hematite (grey sandstones) show little reactivity regardless of the solution composition.

  9. Final Report- Rejuvenating Permeable Reactive Barriers by Chemical Flushing, U.S. Environmental Protection Agency Region 8 Support

    Broader source: Energy.gov [DOE]

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

  10. Final Report Phase II: Performance Evaluation of Permeable Reactive Barriers and Potential for Rejuvenation by Chemical Flushing

    Office of Energy Efficiency and Renewable Energy (EERE)

    Final Report Phase II: Performance Evaluation of Permeable Reactive Barriers and Potential for Rejuvenation by Chemical Flushing

  11. Nonlocal reactive transport with physical and chemical heterogeneity: Localization errors

    SciTech Connect (OSTI)

    Cushman, J.H.; Hu, B.X.; Deng, F.W.

    1995-09-01

    The origin of nonlocality in {open_quotes}macroscale{close_quotes} models for subsurface chemical transport is illustrated. It is argued that media that are either nonperiodic (e.g., media with evolving heterogeneity) or periodic viewed on a scale wherein a unit cell is discernible must display some nonlocality in the mean. A metaphysical argument suggests that owing to the scarcity of information on natural scales of heterogeneity and on scales of observation associated with an instrument window, constitutive theories for the mean concentration should at the outset of any modeling effort always be considered nonlocal. The intuitive appeal to nonlocality is reinforced with an analytical derivation of the constitutive theory for a conservative tracer without appeal to any mathematical approximations. Comparisons are made between the fully nonlocal (FNL), nonlocal in time (NLT), and fully localized (FL) theories. For conservative transport, there is little difference between the first-order FL and FNL models for spatial moments up to and including the third. However, for conservative transport the first-order NLT model differs significantly from the FNL model in the third spatial moments. For reactive transport, all spatial moments differ between the FNL and FL models. The second transverse-horizontal and third longitudinal-horizontal moments for the NLT model differ from the FNL model. These results suggest that localized first-order transport models for conservative tracers are reasonable if only lower-order moments are desired. However, when the chemical reacts with its environment, the localization approximation can lead to significant error in all moments, and a FNL model will in general be required for accurate simulation. 18 refs., 9 figs., 1 tab.

  12. Kinetics and mechanisms of reactions involving small aromatic reactive intermediates

    SciTech Connect (OSTI)

    Lin, M.C.

    1993-12-01

    Small aromatic radicals such as C{sub 6}H{sub 5}, C{sub 6}H{sub 5}O and C{sub 6}H{sub 4} are key prototype species of their homologs. C{sub 6}H{sub 5} and its oxidation product, C{sub 6}H{sub 5}O are believed to be important intermediates which play a pivotal role in hydrocarbon combustion, particularly with regard to soot formation. Despite their fundamental importance, experimental data on the reaction mechanisms and reactivities of these species are very limited. For C{sub 6}H{sub 5}, most kinetic data except its reactions with NO and NO{sub 2}, were obtained by relative rate measurements. For C{sub 6}H{sub 5}O, the authors have earlier measured its fragmentation reaction producing C{sub 5}H{sub 5} + CO in shock waves. For C{sub 6}H{sub 4}, the only rate constant measured in the gas phase is its recombination rate at room temperature. The authors have proposed to investigate systematically the kinetics and mechanisms of this important class of molecules using two parallel laser diagnostic techniques--laser resonance absorption (LRA) and resonance enhanced multiphoton ionization mass spectrometry (REMPI/MS). In the past two years, study has been focused on the development of a new multipass adsorption technique--the {open_quotes}cavity-ring-down{close_quotes} technique for kinetic applications. The preliminary results of this study appear to be quite good and the sensitivity of the technique is at least comparable to that of the laser-induced fluorescence method.

  13. Review of Reactivity Experiments for Lithium Ternary Alloys

    SciTech Connect (OSTI)

    Jolodosky, A.; Bolind, A.; Fratoni, M.

    2015-09-28

    Lithium is often the preferred choice as breeder and coolant in fusion blankets as it offers high tritium breeding, excellent heat transfer and corrosion properties, and most importantly, it has very high tritium solubility and results in very low levels of tritium permeation throughout the facility infrastructure. However, lithium metal vigorously reacts with air and water and exacerbates plant safety concerns. Consequently, Lawrence Livermore National Laboratory (LLNL) is attempting to develop a lithium-based alloy—most likely a ternary alloy—which maintains the beneficial properties of lithium (e.g. high tritium breeding and solubility) while reducing overall flammability concerns for use in the blanket of an inertial fusion energy (IFE) power plant. The LLNL concept employs inertial confinement fusion (ICF) through the use of lasers aimed at an indirect-driven target composed of deuterium-tritium fuel. The fusion driver/target design implements the same physics currently experimented at the National Ignition Facility (NIF). The plant uses lithium in both the primary coolant and blanket; therefore, lithium related hazards are of primary concern. Reducing chemical reactivity is the primary motivation for the development of new lithium alloys, and it is therefore important to come up with proper ways to conduct experiments that can physically study this phenomenon. This paper will start to explore this area by outlining relevant past experiments conducted with lithium/air reactions and lithium/water reactions. Looking at what was done in the past will then give us a general idea of how we can setup our own experiments to test a variety of lithium alloys.

  14. T2Well/ECO2N Version 1.0: Multiphase and Non-Isothermal Model for Coupled Wellbore-Reservoir Flow of Carbon Dioxide and Variable Salinity Water

    Energy Science and Technology Software Center (OSTI)

    2011-08-24

    T2Well/ECO2N is a coupled wellbore and reservoir model for simulating the dynamics of CO2 injection and leakage through wellbores. It can be seen as an extension to standard TOUGH/ECO2N V2.0, and can be applied to situations relevant to geologic CO2 storage involving upward flow (e.g., leakage) and downward flow (injection). The new simulator integrates a wellbore-reservoir system by assigning the wellbore and reservoir to two different sub-domains in which flow is controlled by appropriate physicalmore » laws. In the reservoir, we model flow using a standard multiphase Darcy flow approach. In the wellbores, we use the Drift-Flux Model and related conservation equations for describing transient two-phase non-isothermal wellbore flow of CO2-water mixtures. The mass and thermal energy balance equations are solved numerically by a finite difference scheme with wellbore heat transmission to the surrounding rock handled either semi-analytically or numerically. The momentum balance equation for the flow in the wellbore is solved numerically with a semi-explicit scheme.« less

  15. 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.

  16. Sub-picosecond IR study of the reactive intermediate in an alkane...

    Office of Scientific and Technical Information (OSTI)

    Sub-picosecond IR study of the reactive intermediate in an alkane C-H bond activation reaction by CpRh(CO)2 Citation Details In-Document Search Title: Sub-picosecond IR study of ...

  17. Molten salt extraction of transuranic and reactive fission products from used uranium oxide fuel

    DOE Patents [OSTI]

    Herrmann, Steven Douglas

    2014-05-27

    Used uranium oxide fuel is detoxified by extracting transuranic and reactive fission products into molten salt. By contacting declad and crushed used uranium oxide fuel with a molten halide salt containing a minor fraction of the respective uranium trihalide, transuranic and reactive fission products partition from the fuel to the molten salt phase, while uranium oxide and non-reactive, or noble metal, fission products remain in an insoluble solid phase. The salt is then separated from the fuel via draining and distillation. By this method, the bulk of the decay heat, fission poisoning capacity, and radiotoxicity are removed from the used fuel. The remaining radioactivity from the noble metal fission products in the detoxified fuel is primarily limited to soft beta emitters. The extracted transuranic and reactive fission products are amenable to existing technologies for group uranium/transuranic product recovery and fission product immobilization in engineered waste forms.

  18. Memo to Reactivate a Directive Placed on Hold for DOE - DOE Directives,

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

    Delegations, and Requirements DOE by Website Administrator application/vnd.openxmlformats-officedocument.wordprocessingml.document icon memo_to_reactivate_directive_on_hold_doe -5.docx - application/vnd.openxmlformats-officedocument.wordprocessingml.document, 15 KB (15629

  19. Memo to Reactivate a Directive Placed on Hold for NNSA - DOE Directives,

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

    Delegations, and Requirements NNSA by Website Administrator Microsoft Word Document icon memo_to_reactivate_directive_on_hold_nnsa -5 (1).doc - Microsoft Word Document, 25 KB (26112

  20. The evaluation of the Nippon Steel Corporation reactivity and post-reaction-strength test for coke

    SciTech Connect (OSTI)

    Not Available

    1980-12-01

    A systematic investigation was made of the factors influencing the reactivity of coke, including test temperature, coke structural properties, mineral inclusions and additives, and the inert content of the charge.