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, ή13C 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 (ÎČ-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. 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...

  6. 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 ...

  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. 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 ...

  2. 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...

  3. 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...

  4. 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 ...

  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. 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 ...

  11. 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...

  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 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.

  15. 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.

  16. 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).

  17. 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.

  18. 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; ...

  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. 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...

  1. 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: ...

  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, 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.

  4. 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.

  5. 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.

  6. 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.

  7. 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

  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, 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.

  10. 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.

  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. 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...

  18. 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.

  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. 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

  6. 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.

  7. 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...

  8. 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 ...

  9. 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 ...

  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. 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.

  14. 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.

  15. 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

  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. 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.

  2. 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.

  3. 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...

  4. 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)...

  5. 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.

  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 1Όm, 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. 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

  10. 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.

  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. 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

  16. 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.

  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

    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.

  20. 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.

  1. 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.

  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.

    1996-04-01

    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.

  3. 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.

  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. 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.

  9. 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

  10. 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.

  11. 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.

  12. 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.”

  13. 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 FLUENT¼ 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 FLUENT¼ 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. FLUENT¼ Eulerian–Eulerian simulations also provide a stable solution for the carbon capture reactor given the appropriate simplifying assumptions.

  14. 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 FLUENTÂź 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 FLUENTÂź 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. FLUENTÂź Eulerian-Eulerian simulations also provide a stable solution for the carbon capture reactor given the appropriate simplifying assumptions.

  15. 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

  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. 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

  19. 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.

  20. 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.

  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. 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.

  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. 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...

  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. 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.

  8. 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}.

  9. 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.

  10. 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.

  11. 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.

  12. 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

  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 geometries6,11–17, 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.

  16. 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.

  17. 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.

  18. 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.

  19. 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

  20. 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.

  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. 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

  4. 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.

  5. 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

  6. Geochemical and Geomechanical Effects on Wellbore Cement Fractures

    SciTech Connect (OSTI)

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

    2014-12-31

    Experimental studies were conducted using batch reactors, X-ray microtomograpy (XMT), and computational fluid dynamics (CFD) simulation to determine changes in cement fracture surfaces, fluid flow pathways, and permeability with geochemical and geomechanical processes. Composite Portland cement-basalt caprock core with artificial fractures was prepared and reacted with CO2-saturated groundwater at 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

  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. 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.

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

    SciTech Connect (OSTI)

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

    1982-09-01

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

  11. 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. 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.

  19. 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.

  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. 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...

  5. 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...

  6. 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...

  7. 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.

  8. 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...

  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 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

  12. 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

  13. 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.

  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

    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

  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. 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 ...

  20. 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...

  1. 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...

  2. 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

  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. 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, ...

  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 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 ...

  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. 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...

  2. 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.

  3. 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.

  4. 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.

  5. 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.

  6. 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.

  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.