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Sample records for non-isothermal multiphase reactive

  1. TOURGHREACT: A Simulation Program for Non-isothermal MultiphaseReactive Geochemical Transport in Variably Saturated GeologicMedia

    SciTech Connect (OSTI)

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

    2004-12-07

    TOUGHREACT is a numerical simulation program for chemically reactive non-isothermal flows of multiphase fluids in porous and fractured media. The program was written in Fortran 77 and developed by introducing reactive geochemistry into the multiphase fluid and heat flow simulator TOUGH2. A variety of subsurface thermo-physical-chemical processes are considered under a wide range of conditions of pressure, temperature, water saturation, ionic strength, and pH and Eh. Interactions between mineral assemblages and fluids can occur under local equilibrium or kinetic rates. The gas phase can be chemically active. Precipitation and dissolution reactions can change formation porosity and permeability. The program can be applied to many geologic systems and environmental problems, including geothermal systems, diagenetic and weathering processes, subsurface waste disposal, acid mine drainage remediation, contaminant transport, and groundwater quality. Here we present two examples to illustrate applicability of the program: (1) injectivity effects of mineral scaling in a fractured geothermal reservoir and (2) CO2 disposal in a deep saline aquifer.

  2. TOUGHREACT User's Guide: A Simulation Program for Non-isothermal Multiphase Reactive geochemical Transport in Variable Saturated Geologic Media

    SciTech Connect (OSTI)

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

    2004-05-24

    Coupled modeling of subsurface multiphase fluid and heat flow, solute transport and chemical reactions can be used for the assessment of mineral alteration in hydrothermal systems, waste disposal sites, acid mine drainage remediation, contaminant transport, and groundwater quality. A comprehensive non-isothermal multi-component reactive fluid flow and geochemical transport simulator, TOUGHREACT, has been developed. A wide range of subsurface thermo-physical-chemical processes is considered under various thermohydrological and geochemical conditions of pressure, temperature, water saturation, and ionic strength. The program can be applied to one-, two- or three-dimensional porous and fractured media with physical and chemical heterogeneity. The model can accommodate any number of chemical species present in liquid, gas and solid phases. A variety of equilibrium chemical reactions are considered, such as aqueous complexation, gas dissolution/exsolution, and cation exchange. Mineral dissolution/precipitation can proceed either subject to local equilibrium or kinetic conditions. Changes in porosity and permeability due to mineral dissolution and precipitation can be considered. Linear adsorption and decay can be included. For the purpose of future extensions, surface complexation by double layer model is coded in the program. Xu and Pruess (1998) developed a first version of a non-isothermal reactive geochemical transport model, TOUGHREACT, by introducing reactive geochemistry into the framework of the existing multi-phase fluid and heat flow code TOUGH2 (Pruess, 1991). Xu, Pruess, and their colleagues have applied the program to a variety of problems such as: (1) supergene copper enrichment (Xu et al, 2001), (2) caprock mineral alteration in a hydrothermal system (Xu and Pruess, 2001a), and (3) mineral trapping for CO{sub 2} disposal in deep saline aquifers (Xu et al, 2003b and 2004a). For modeling the coupled thermal, hydrological, and chemical processes during heater tests at proposed nuclear waste disposal site at Yucca Mountain (Nevada), Sonnenthal and Spycher (2000) and Spycher et al. (2003) enhanced TOUGHREACT on (1) high temperature geochemistry, (2) mineral reactive surface area calculations, and (3) porosity and permeability changes due to mineral alteration. On the other hand, Pruess et al. (1999) updated the TOUGH2 simulator to TOUGH2 V2. The present version of TOUGHREACT was developed by introducing the work of Sonnenthal and Spycher (2000) to the original work of Xu and Pruess (1998), and by replacing TOUGH2 (Pruess, 1991) by TOUGH2 V2 (Pruess et al, 1999). The TOUGHREACT program makes use of ''self-documenting'' features. It is distributed with a number of input data files for sample problems. Besides providing benchmarks for proper code installation, these can serve as self-teaching tutorial in the use of TOUGHREACT, and they provide templates to help jump-start new applications. The fluid and heat flow part of TOUGHREACT is derived from TOUGH2 V2, so in addition to the current manual, users must have manual of the TOUGH2 V2 (Pruess et al., 1999). The present version of TOUGHREACT provides the following different TOUGH2 fluid property or ''EOS'' (equation-of-state) modules: (1) EOS1 for water, or two waters with typical applications to hydrothermal problems, (2) EOS2 for multiphase mixtures of water and CO{sub 2} also with typical applications to hydrothermal problems, (3) EOS3 for multiphase mixtures of water and air with typical applications to vadose zone and nuclear waste disposal problems, (4) EOS4 that has the same capabilities as EOS3 but with vapor pressure lowering effects due to capillary pressure, (5) EOS9 for single phase water (Richards. equation) with typical applications to ambient reactive geochemical transport problems, (6) ECO2 for multiphase mixtures of water, CO{sub 2} and NaCl with typical applications to CO{sub 2} disposal in deep brine aquifers.

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

    SciTech Connect (OSTI)

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

    2008-09-29

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

  4. Non-Isothermal, Multi-phase, Multi-component Flows through Deformable Methane Hydrate Reservoirs

    E-Print Network [OSTI]

    Gupta, Shubhangi; Wohlmuth, Barbara

    2015-01-01

    We present a hydro-geomechanical model for subsurface methane hydrate systems. Our model considers kinetic hydrate phase change and non-isothermal, multi-phase, multi-component flow in elastically deforming soils. The model accounts for the effects of hydrate phase change and pore pressure changes on the mechanical properties of the soil, and also for the effect of soil deformation on the fluid-solid interaction properties relevant to reaction and transport processes (e.g., permeability, capillary pressure, reaction surface area). We discuss a 'cause-effect' based decoupling strategy for the model and present our numerical discretization and solution scheme. We then identify the important model components and couplings which are most vital for a hydro-geomechanical hydrate simulator, namely, 1) dissociation kinetics, 2) hydrate phase change coupled with non-isothermal two phase two component flow, 3) two phase flow coupled with linear elasticity (poroelasticity coupling), and finally 4) hydrate phase change c...

  5. TOUGHREACT User's Guide: A Simulation Program for Non-isothermal Multiphase Reactive geochemical Transport in Variable Saturated Geologic Media

    E-Print Network [OSTI]

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

    2004-01-01

    quality, nuclear waste isolation, supergene coppernuclear waste disposal sites, (4 ) sedimentary diagenesis and CO 2 disposal in deep formations, (5) mineral deposition such as supergene copper

  6. TOURGHREACT: A Simulation Program for Non-isothermal Multiphase Reactive Geochemical Transport in Variably Saturated Geologic Media

    E-Print Network [OSTI]

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

    2004-01-01

    nuclear waste isolation, groundwater quality, sequestration of carbon dioxide in saline aquifers, and supergene coppernuclear waste disposal sites, (4 ) sedimentary diagenesis and CO 2 disposal in deep formations, (5) mineral deposition such as supergene copper

  7. TOUGHREACT Version 2.0: A simulator for subsurface reactive transport under non-isothermal multiphase flow conditions

    E-Print Network [OSTI]

    Xu, T.

    2010-01-01

    nuclear waste disposal sites, sedimentary diagenesis and CO 2 sequestration in deep saline formations, mineral deposition such as supergene copper

  8. TOUGHREACT Version 2.0: A simulator for subsurface reactive transport under non-isothermal multiphase flow conditions

    E-Print Network [OSTI]

    Xu, T.

    2010-01-01

    S. , 2006. Metal(loid) diagenesis in mine-impacted sedimentssites, sedimentary diagenesis and CO 2 sequestration in deep

  9. TOURGHREACT: A Simulation Program for Non-isothermal Multiphase Reactive Geochemical Transport in Variably Saturated Geologic Media

    E-Print Network [OSTI]

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

    2004-01-01

    chemical modeling at the Soultz-sous- Forêts HDR reservoir (Geochemical modeling of the Soultz-sous-Forêts Hot Dry Rocken géothermie profonde (Soultz-sous-Forêts, Bas Rhin,

  10. TOUGHREACT Version 2.0: A simulator for subsurface reactive transport under non-isothermal multiphase flow conditions

    E-Print Network [OSTI]

    Xu, T.

    2010-01-01

    mining activities and, as a result, contain elevated concentrations of iron andiron and other heavy metals (Zn, Pb, Cu) in sediments of Lake Coeur d’Alene, Idaho, which have been heavily impacted by mining

  11. TOUGHREACT: A Simulation Program for Non-isothermal Multiphase Reactive Geochemical Transport in Variably Saturated Geologic M

    Office of Scientific and Technical Information (OSTI)

    AFDC Printable Version Share this resource Send a link to EERE: Alternative Fuels Data Center Home Page to someone by E-mail Share EERE: Alternative Fuels Data Center Home Page on Facebook Tweet about EERE: Alternative Fuels Data Center Home Page on Twitter Bookmark EERE: Alternative Fuels Data Center Homesum_a_epg0_fpd_mmcf_m.xls" ,"Available from WebQuantity of NaturalDukeWakefield MunicipalTechnicalInformation FederatedInformationTITLE: AUTHOR(S) SUBMITTED TO: Mm

  12. A reduced-order model based on proper orthogonal decomposition for non-isothermal two-phase flows 

    E-Print Network [OSTI]

    Richardson, Brian Ross

    2009-05-15

    This thesis presents a study of reduced-order models based on proper orthogonal decomposition applied to non-isothermal transport phenomena in °uidized beds. A numerical °ow solver called Multiphase Flow with Interphase ...

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

    SciTech Connect (OSTI)

    Pan, L.; Oldenburg, C.M.; Wu, Y.-S.; Pruess, K.

    2011-02-14

    At its most basic level, the injection of CO{sub 2} into geologic CO{sub 2} storage sites involves a system comprising the wellbore and the target reservoir. The wellbore is the only conduit available to emplace CO{sub 2} into reservoirs for long-term storage. At the same time, wellbores in general have been identified as the most likely conduit for CO{sub 2} and brine leakage from geologic carbon sequestration (GCS) sites, especially those in sedimentary basins with historical hydrocarbon production. We have developed a coupled wellbore and reservoir model for simulating the dynamics of CO{sub 2} injection and leakage through wellbores. The model describes the following processes: (1) upward or downward wellbore flow of CO{sub 2} and variable salinity water with transition from supercritical to gaseous CO{sub 2} including Joule-Thomson cooling, (2) exsolution of CO{sub 2} from the aqueous phase as pressure drops, and (3) cross flow into or interaction with layers of surrounding rock (reservoirs). We use the Drift-Flux Model and related conservation equations for describing transient two-phase non-isothermal wellbore flow of CO{sub 2}-water mixtures under different flow regimes and interacting with surrounding rock. The mass and thermal energy balance equations are solved numerically by a finite difference scheme with wellbore heat transmission to the surrounding rock handled either semi-analytically or numerically. The momentum balance equation for the flow in the wellbore is solved numerically with a semi-explicit scheme. This manual provides instructions for compilation and use of the new model, and presents some example problems to demonstrate its use.

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

    E-Print Network [OSTI]

    Xu, Tianfu

    2008-01-01

    quality, nuclear waste isolation, supergene coppernuclear waste disposal sites, (4 ) sedimentary diagenesis and CO 2 disposal in deep formations, (5) mineral deposition such as supergene copper

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

    E-Print Network [OSTI]

    Xu, Tianfu

    2008-01-01

    from tuffs at Yucca Mountain, Nevada, USA. Geochim.in zeolitized tuffs at Yucca Mountain, Nevada, USA. Geochim.mineralogic model of Yucca Mountain, Nevada, Rev 2.0 . , Los

  16. A new shallow approximation for tridimensional non-isothermal viscoplastic

    E-Print Network [OSTI]

    Saramito, Pierre

    . The risk assessments for volcanic lava flow pose a difficult challenge to numerical methods. Indeed approximated by an autoadaptive finite element method, based on the Rheolef C++ library, allowing to track with non-isothermal experimental measurements for a silicone oil dome. Next, the December 2010 eruption

  17. Gap formation and stability in non-isothermal protoplanetary discs

    E-Print Network [OSTI]

    Les, Robert

    2015-01-01

    Several observations of transition discs show lopsided dust-distributions. A potential explanation is the formation of a large-scale vortex acting as a dust-trap at the edge of a gap opened by a giant planet. Numerical models of gap-edge vortices have thus far employed locally isothermal discs, but the theory of this vortex-forming or `Rossby wave' instability was originally developed for adiabatic discs. We generalise the study of planetary gap stability to non-isothermal discs using customised numerical simulations of disc-planet systems where the planet opens an unstable gap. We include in the energy equation a simple cooling function with cooling timescale $t_c=\\beta\\Omega_k^{-1}$, where $\\Omega_k$ is the Keplerian frequency, and examine the effect of $\\beta$ on the stability of gap edges and vortex lifetimes. We find increasing $\\beta$ lowers the growth rate of non-axisymmetric perturbations, and the dominant azimuthal wavenumber $m$ decreases. We find a quasi-steady state consisting of one large-scale, ...

  18. Corrosion-induced gas generation in a nuclear waste repository: Reactive geochemistry and multiphase flow effect

    E-Print Network [OSTI]

    Xu, T.

    2009-01-01

    Lying Repositories for Nuclear Waste, NAGRA Technical Reporthost rock formation for nuclear waste storage. EngineeringGas Generation in a Nuclear Waste Repository: Reactive

  19. Heat and mass transport in non-isothermal partially saturated oil-wax Antonio Fasano1

    E-Print Network [OSTI]

    Primicerio, Mario

    Heat and mass transport in non-isothermal partially saturated oil-wax solutions Antonio Fasano1 Mario Primicerio1 Abstract Deposition of wax at the wall of pipelines during the flow of mineral oils of the main mechanisms at the origin of wax deposition, i.e. diffusion in non-isothermal solutions. We

  20. 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

  1. 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.

  2. Electrochimica Acta 53 (2007) 610621 Non-isothermal cold start of polymer electrolyte fuel cells

    E-Print Network [OSTI]

    2007-01-01

    electrolyte fuel cell (PEFC) engine in a sub-freezing environment, referred to as "cold start", remainsElectrochimica Acta 53 (2007) 610­621 Non-isothermal cold start of polymer electrolyte fuel cells of a polymer electrolyte fuel cell (PEFC) and to delineate intricate interactions between ice formation

  3. A non-isothermal model of a nickelmetal hydride cell , M. Mohammedb

    E-Print Network [OSTI]

    A non-isothermal model of a nickel±metal hydride cell B. Wua , M. Mohammedb , D. Brighamb , R. Elderb , R.E. Whitea,* a Department of Chemical Engineering, University of South Carolina, Columbia, SC Abstract A model for a nickel±metal hydride cell was constructed based on the planar electrode

  4. A non-isothermal PEM fuel cell model including two water transport mechanisms in the

    E-Print Network [OSTI]

    Münster, Westfälische Wilhelms-Universität

    A non-isothermal PEM fuel cell model including two water transport mechanisms in the membrane K Freiburg Germany A dynamic two-phase flow model for proton exchange mem- brane (PEM) fuel cells and the species concentrations. In order to describe the charge transport in the fuel cell the Poisson equations

  5. Lyapunov-based control of non isothermal continuous stirred tank reactors using

    E-Print Network [OSTI]

    Paris-Sud XI, Université de

    1 Lyapunov-based control of non isothermal continuous stirred tank reactors using irreversible availability function is used as a Lyapunov function for the practical derivation of non linear control laws Lyapunov function. The use of this new Lyapunov function insures smooth variations of the control variable

  6. Non-isothermal preform infiltration during the vacuum-assisted resin transfer molding (VARTM) process

    E-Print Network [OSTI]

    Grujicic, Mica

    Non-isothermal preform infiltration during the vacuum-assisted resin transfer molding (VARTM conditions within a high-permeability resin-distribution medium based vacuum-assisted resin transfer molding.V. All rights reserved. PACS: 61.41.+e (Polymers) Keywords: Vacuum-assisted resin transfer molding (VARTM

  7. Rarefied gas flow in a rectangular enclosure induced by non-isothermal walls

    SciTech Connect (OSTI)

    Vargas, Manuel; Tatsios, Giorgos; Valougeorgis, Dimitris; Stefanov, Stefan

    2014-05-15

    The flow of a rarefied gas in a rectangular enclosure due to the non-isothermal walls with no synergetic contributions from external force fields is investigated. The top and bottom walls are maintained at constant but different temperatures and along the lateral walls a linear temperature profile is assumed. Modeling is based on the direct numerical solution of the Shakhov kinetic equation and the Direct Simulation Monte Carlo (DSMC) method. Solving the problem both deterministically and stochastically allows a systematic comparison and verification of the results as well as the exploitation of the numerical advantages of each approach in the investigation of the involved flow and heat transfer phenomena. The thermally induced flow is simulated in terms of three dimensionless parameters characterizing the problem, namely, the reference Knudsen number, the temperature ratio of the bottom over the top plates, and the enclosure aspect ratio. Their effect on the flow configuration and bulk quantities is thoroughly examined. Along the side walls, the gas flows at small Knudsen numbers from cold-to-hot, while as the Knudsen number is increased the gas flows from hot-to-cold and the thermally induced flow configuration becomes more complex. These flow patterns with the hot-to-cold flow to be extended to the whole length of the non-isothermal side walls may exist even at small temperature differences and then, they are enhanced as the temperature difference between the top and bottom plates is increased. The cavity aspect ratio also influences this flow configuration and the hot-to-cold flow is becoming more dominant as the depth compared to the width of the cavity is increased. To further analyze the flow patterns a novel solution decomposition into ballistic and collision parts is introduced. This is achieved by accordingly modifying the indexing process of the typical DSMC algorithm. The contribution of each part of the solution is separately examined and a physical interpretation of the flow configuration, including the hot-to-cold flow close to the side walls, in the whole range of the Knudsen number is provided.

  8. A Non-isothermal Theory for Interpreting Sodium Lines in Transmission Spectra of Exoplanets

    E-Print Network [OSTI]

    Heng, Kevin; Lavie, Baptiste; Sing, David K; Ehrenreich, David; Lovis, Christophe

    2015-01-01

    We present a theory for interpreting the sodium lines detected in transmission spectra of exoplanetary atmospheres. Previous analyses employed the isothermal approximation and dealt only with the transit radius. By recognising the absorption depth and the transit radius as being independent observables, we develop a theory for jointly interpreting both quantities, which allows us to infer the temperatures and number densities associated with the sodium lines. We are able to treat a non-isothermal situation with a constant temperature gradient. Our novel diagnostics take the form of simple-to-use algebraic formulae and require measurements of the transit radii (and their corresponding absorption depths) at line center and in the line wing for both sodium lines. We apply our diagnostics to the HARPS data of HD 189733b, confirm the upper atmospheric heating reported by Huitson et al. (2012), derive a temperature gradient of $0.4376 \\pm 0.0154$ K km$^{-1}$ and find densities $\\sim 1$ to $10^4$ cm$^{-3}$.

  9. Fourier Law and Non-Isothermal Boundary in the Boltzmann Theory

    E-Print Network [OSTI]

    Raffaele Esposito; Yan Guo; Chanwoo Kim; Rossana Marra

    2012-02-13

    In the study of the heat transfer in the Boltzmann theory, the basic problem is to construct solutions to the steady problem for the Boltzmann equation in a general bounded domain with diffuse reflection boundary conditions corresponding to a non isothermal temperature of the wall. Denoted by \\delta the size of the temperature oscillations on the boundary, we develop a theory to characterize such a solution mathematically. We construct a unique solution F_s to the Boltzmann equation, which is dynamically asymptotically stable with exponential decay rate. Moreover, if the domain is convex and the temperature of the wall is continuous we show that F_s is continuous away from the grazing set. If the domain is non-convex, discontinuities can form and then propagate along the forward characteristics. We show that they actually form for a suitable smooth temperature profile. We remark that this solution differs from a local equilibrium Maxwellian, hence it is a genuine non equilibrium stationary solution. Our analysis is based on recent studies of the boundary value problems for the Boltzmann equation but with new constructive coercivity estimates for both steady and dynamic cases. A natural question in this setup is to determine if the general Fourier law, stating that the heat conduction vector q is proportional to the temperature gradient, is valid. As an application of our result we establish an expansion in \\delta for F_s whose first order term F_1 satisfies a linear, parameter free equation. Consequently, we discover that if the Fourier law were valid for F_s, then the temperature of F_1 must be linear in a slab. Such a necessary condition contradicts available numerical simulations, leading to the prediction of break-down of the Fourier law in the kinetic regime.

  10. Glass transition and crystallization kinetics of a barium borosilicate glass by a non-isothermal method

    SciTech Connect (OSTI)

    Lopes, Andreia A. S.; Soares, Roque S.; Lima, Maria M. A.; Monteiro, Regina C. C., E-mail: rcm@fct.unl.pt [Department of Materials Science, CENIMAT/I3N, Faculty of Sciences and Technology, Universidade Nova de Lisboa, 2829-516 Caparica (Portugal)

    2014-01-28

    The glass transition and crystallization kinetics of a glass with a molar composition 60BaO-30B{sub 2}O{sub 3}-10SiO{sub 2} were investigated by differential scanning calorimetry (DSC) under non-isothermal conditions. DSC curves exhibited an endothermic peak associated with the glass transition and two partially overlapped exothermic peaks associated with the crystallization of the glass. The dependence of the glass transition temperature (T{sub g}) and of the maximum crystallization temperature (T{sub p}) on the heating rate was used to determine the activation energy associated with the glass transition (E{sub g}), the activation energy for crystallization (E{sub c}), and the Avrami exponent (n). X-ray diffraction (XRD) revealed that barium borate (?-BaB{sub 2}O{sub 4}) was the first crystalline phase to be formed followed by the formation of barium silicate (Ba{sub 5}Si{sub 8}O{sub 21}). The variations of activation energy for crystallization and of Avrami exponent with the fraction of crystallization (?) were also examined. When the crystallization fraction (?) increased from 0.1 to 0.9, the value of local activation energy (E{sub c}(?)) decreased from 554 to 458?kJ/mol for the first exothermic peak and from 1104 to 831?kJ/mol for the second exothermic peak. The value determined for the Avrami exponent was near 2 indicating a similar one-dimensional crystallization mechanism for both crystalline phases. This was confirmed by the morphological studies performed by scanning electron microscopy (SEM) on glass samples heat-treated at the first and at the second crystallization temperatures.

  11. Numerical simulation of the non-isothermal developing flow of a nonlinear viscoelastic fluid in a rectangular channel 

    E-Print Network [OSTI]

    Nikoleris, Teo

    1988-01-01

    NUMERICAL SIMULATION OF THE NON-ISOTHERMAL DEVELOPING FLOXV OF A NONLINEAR VISCOELASTIC FLUID IN A RECTANGULAR CHANNEL A Thesis by TEO NIKOLERIS Submitted to the Graduate College of Texas A&M University in partial fulfillment... developing flow of a nonlinear viscoelas- tic fluid. The temperature dependence of the rheological parameters was imposed using an Arrhenius-like exponential relationship. The flow was creeping, at the early stages of thermal development and wall cooling...

  12. Multiphase flow calculation software

    DOE Patents [OSTI]

    Fincke, James R. (Idaho Falls, ID)

    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.

  13. Multiphase cooling flows

    E-Print Network [OSTI]

    Peter A. Thomas

    1996-08-20

    I discuss the multiphase nature of the intracluster medium whose neglect can lead to overestimates of the baryon fraction of clusters by up to a factor of two. The multiphase form of the cooling flow equations are derived and reduced to a simple form for a wide class of self-similar density distributions. It is shown that steady-state cooling flows are \\emph{not} consistent with all possible emissivity profiles which can therefore be used as a test of the theory. In combination, they provide strong constraints on the mass distribution within the cooling radius.

  14. MODERN DEVELOPMENTS IN MULTIPHASE FLOW & HEAT TRANSFER

    E-Print Network [OSTI]

    Lahey, Richard T.

    MODERN DEVELOPMENTS IN MULTIPHASE FLOW & HEAT TRANSFER "ENGINEERING APPLICATIONS OF FRACTAL and multiphase flow & heat transfer will be stressed. This paper will begin by reviewing some important concepts

  15. 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.

  16. Stability and mode analysis of solar coronal loops using thermodynamic irreversible energy principles II. Modes in twisted non--isothermal magnetic field configurations

    E-Print Network [OSTI]

    A. Costa; R. Gonzalez

    2008-07-10

    We study the stability and the modes of non -- isothermal coronal loop models with different intensity values of the equilibrium twisted magnetic field.We use an energy principle obtained via non -- equilibrium thermodynamic arguments. The principle is expressed in terms of Hermitian operators and allows to consider together the coupled system of equations: the balance of energy equation and the equation of motion, to obtain modes and eigenmodes in a spectrum ranging from short to long--wavelength disturbances without having to use weak varying approximations of the equilibrium parameters. Long--wavelength perturbations introduce additional difficulties because the inhomogeneous nature of the medium determines disturbances leading to continuous intervals of eigenfrequencies which cannot be considered as purely sinusoidal.We analyze the modification of periods, modes structure and stability when the helicity, the magnetic field strength and the radius of the fluxtube are varied. The efficiency of the damping due to the resonant absorption mechanism is analyzed in a context of modes that can either impulsively release or storage magnetic energy.We find that the onset of the instability is associated to a critical value of the helicity and that the magnetic energy content has a determinant role on the instability of the system with respect to the stabilizing effect of the resonant absorption mechanism.

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

    E-Print Network [OSTI]

    Pan, L.

    2011-01-01

    1962. Wellbore heat transmission. Journal of Petroleumlateral wellbore heat transmission and the potential energyscheme with wellbore heat transmission to the surrounding

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

    E-Print Network [OSTI]

    Pan, L.

    2011-01-01

    controlled by the geothermal gradient to an advectivetransforms from a geothermal gradient dominated one into aconditions and a geothermal temperature gradient in the

  19. Multiphase Flow Analysis in Hydra-TH

    SciTech Connect (OSTI)

    Christon, Mark A. [Los Alamos National Laboratory; Bakosi, Jozsef [Los Alamos National Laboratory; Francois, Marianne M. [Los Alamos National Laboratory; Lowrie, Robert B. [Los Alamos National Laboratory; Nourgaliev, Robert [Idaho National Laboratory

    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.

  20. Multiphase transport model for relativistic nuclear collisions 

    E-Print Network [OSTI]

    Zhang, B.; Ko, Che Ming; Li, Ba; Lin, ZW.

    2000-01-01

    To study heavy ion collisions at energies available from the Relativistic Heavy Ion Collider (RHIC), we have developed a multiphase transport model that includes both initial partonic and final hadronic interactions. ...

  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. Non-Isothermal Steam Mixing Motivation & Objectives

    E-Print Network [OSTI]

    Psaltis, Demetri

    gas turbine is connected to a heat recovery steam generator (HRSG), which together feed a single steam turbine. When running multiple gas turbines at different loads, the HRSGs will produce steam streams into the intermediate pressure (IP) steam turbine (figure 1). The goal of this thesis is to determine a compact yet

  4. Multiphase Computations in Geometrical Optics Olof Runborg

    E-Print Network [OSTI]

    Ferguson, Thomas S.

    Multiphase Computations in Geometrical Optics Olof Runborg Royal Institute of Technology Department. The tra­ ditional geometrical optics pair of equations suffer from the fact that the class of physically. The geometrical optics type asymptotic expansions are used 1 #12; in many applications, for example

  5. Reactive Maintenance

    Broader source: Energy.gov [DOE]

    Reactive maintenance follows a run-it-until-it-breaks strategy where no actions or efforts are taken to maintain equipment as intended by the manufacturer. Studies indicate this is still the predominant mode of maintenance for Federal facilities.

  6. Efficiency and Leakage Analysis of a Twin-Screw Multiphase Pump 

    E-Print Network [OSTI]

    Turhan, Yusuf

    2014-04-01

    Multiphase twin-screw pumps have become an important alternative to produce the oil and natural gas from wells. In comparison to a conventional multiphase oil production systems, a multiphase twin screw pump provides larger boost with smaller...

  7. 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.

  8. 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.

  9. 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

  10. Heating by Acoustic Waves of Multiphase Media

    E-Print Network [OSTI]

    Doron Chelouche

    2007-08-02

    We study the emission and dissipation of acoustic waves from cool dense clouds in pressure equilibrium with a hot, volume-filling dilute gas component. In our model, the clouds are exposed to a source of ionizing radiation whose flux level varies with time, forcing the clouds to pulsate. We estimate the rate at which acoustic energy is radiated away by an ensemble of clouds and the rate at which it is absorbed by, and dissipated in, the hot dilute phase. We show that acoustic energy can be a substantial heating source of the hot gas phase when the mass in the cool component is a substantial fraction of the total gas mass. We investigate the applicability of our results to the multiphase media of several astrophysical systems, including quasar outflows and cooling flows. We find that acoustic heating can have a substantial effect on the thermal properties of the hot phase in those systems.

  11. Integral Model of a Multiphase Plume in Quiescent Stratification

    E-Print Network [OSTI]

    Crounse, B. C.

    The writers present a one-dimensional integral model to describe multiphase plumes discharged to quiescent stratified receiving waters. The model includes an empirical submodel for detrainment, and the capability to include ...

  12. Temperature Effect in Multiphase Flow Meter Using Slotted Orifice Plate 

    E-Print Network [OSTI]

    Sihombing, Dohar Jono

    2015-04-30

    Multiphase flow metering is one of the major focuses to develop in oil and gas industries. A combination of slotted orifice plate and electrical impedance technique was investigated in order to provide further development ...

  13. Acoustic Behavior of Multiphase Flow Conditions in a Vertical Well 

    E-Print Network [OSTI]

    Muslim, Nuramirah

    2014-09-30

    of sound generation along the wellbore by pinpointing the location and measuring the intensity of noise source. Increasing reservoir complexities require future DAS applications to be equipped with quantitative analysis of the fluid flow rate, multiphase...

  14. Multiscale Computational Modeling of Multiphase Composites with Damage 

    E-Print Network [OSTI]

    Cheng, Feifei

    2013-11-01

    A multiscale computational framework for multiphase composites considering damage is developed in this research. In micro-scale, micromechanics based homogenization methods are used to estimate effective elastic moduli of graded Ti_(2)Al...

  15. Wet-gas compression in twin-screw multiphase pumps 

    E-Print Network [OSTI]

    Chan, Evan

    2009-05-15

    Multiphase pumping with twin-screw pumps is a relatively new technology that has been proven successful in a variety of field applications. By using these pumps to add energy to the combined gas and liquid wellstream with ...

  16. MULTIPHASE REACTOR MODELING FOR ZINC CHLORIDE CATALYZED COAL LIQUEFACTION

    E-Print Network [OSTI]

    Joyce, Peter James

    2011-01-01

    labeled for hydrogen, coal, and liquid and gas phase water.is employed to deliver coal- derived liquids to the domesticMultiphase Flow of Gas-Liquid and Gas-Coal Slurry Mixtures

  17. Deuteron-nucleus collisions in a multiphase transport model 

    E-Print Network [OSTI]

    Lin, ZW; Ko, Che Ming.

    2003-01-01

    Using a multiphase transport model, we study pseudorapidity distributions and transverse momentum spectra in deuteron-gold collisions at RHIC. We find that final-state partonic and hadronic interactions affect the transverse momentum spectrum...

  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. A new approach to multi-phase field for the solidification of alloys

    E-Print Network [OSTI]

    Jimack, Peter

    Mullis Institute of Materials Research, University of Leeds, LS2 9JT E-mail: p.c.bollada@leeds present, resulting in multi-phase field models. For a topical review of multi-phase field modelling

  1. 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.

  2. Observer Design for Multiphase Flow in Vertical Pipes with Gas-Lift --Theory and

    E-Print Network [OSTI]

    Foss, Bjarne A.

    .M. Aamo, G.O. Eikrem, H.B. Siahaan, B.A. Foss Department of Engineering Cybernetics, Norwegian University of Science and Technology, 7491 Trondheim, Norway Abstract Unstable regimes occuring for multiphase flow the multiphase flow. Key words: Nonlinear observer design, Multiphase flow, Petroleum technology 1 Introduction

  3. Development of Next Generation Multiphase Pipe Flow Prediction Tools

    SciTech Connect (OSTI)

    Cem Sarica; Holden Zhang

    2006-05-31

    The developments of oil and gas fields in deep waters (5000 ft and more) will become more common in the future. It is inevitable that production systems will operate under multiphase flow conditions (simultaneous flow of gas, oil and water possibly along with sand, hydrates, and waxes). Multiphase flow prediction tools are essential for every phase of hydrocarbon recovery from design to operation. Recovery from deep-waters poses special challenges and requires accurate multiphase flow predictive tools for several applications, including the design and diagnostics of the production systems, separation of phases in horizontal wells, and multiphase separation (topside, seabed or bottom-hole). It is crucial for any multiphase separation technique, either at topside, seabed or bottom-hole, to know inlet conditions such as flow rates, flow patterns, and volume fractions of gas, oil and water coming into the separation devices. Therefore, the development of a new generation of multiphase flow predictive tools is needed. The overall objective of the proposed study is to develop a unified model for gas-oil-water three-phase flow in wells, flow lines, and pipelines to predict flow characteristics such as flow patterns, phase distributions, and pressure gradient encountered during petroleum production at different flow conditions (pipe diameter and inclination, fluid properties and flow rates). In the current multiphase modeling approach, flow pattern and flow behavior (pressure gradient and phase fractions) prediction modeling are separated. Thus, different models based on different physics are employed, causing inaccuracies and discontinuities. Moreover, oil and water are treated as a pseudo single phase, ignoring the distinct characteristics of both oil and water, and often resulting in inaccurate design that leads to operational problems. In this study, a new model is being developed through a theoretical and experimental study employing a revolutionary approach. The basic continuity and momentum equations is established for each phase, and used for both flow pattern and flow behavior predictions. The required closure relationships are being developed, and will be verified with experimental results. Gas-oil-water experimental studies are currently underway for the horizontal pipes. Industry-driven consortia provide a cost-efficient vehicle for developing, transferring, and deploying new technologies into the private sector. The Tulsa University Fluid Flow Projects (TUFFP) is one of the earliest cooperative industry-university research consortia. TUFFP's mission is to conduct basic and applied multiphase flow research addressing the current and future needs of hydrocarbon production and transportation. TUFFP participants and The University of Tulsa are supporting this study through 55% cost sharing.

  4. 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 advantages over other biomass processing methods with respect to separations. These 'green' alternatives employ a hybrid medium that, when operated supercritically, offers the prospect of tunable physicochemical properties. Solubility can be rapidly altered and phases partitioned selectively to precipitate or dissolve certain components by altering temperature or pressure in the near-critical region. The ability to tune the solvation properties of water in the highly compressible near-critical region facilitates partitioning of products or by-products into separate phases to separate and purify products. Since most challenges related to lipid extraction are associated with the industrial scale-up of integrated extraction systems, the new modeling capability offers the prospect of addressing previously untenable scaling issues.

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

    E-Print Network [OSTI]

    Zheng, L.

    2010-01-01

    BVE 98 inferred data BVE 100 Base model D 0ref model D 0refdata BVE99 inferred data BVE100 base model dispersivity =

  6. 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).

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

    Office of Scientific and Technical Information (OSTI)

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

  8. Boundary Integral Methods for Multicomponent Fluids and Multiphase Materials

    E-Print Network [OSTI]

    . An important and complicating property of such systems is surface tension (or surface energy in the materials of Mathematical Sciences, New York University, New York, NY 10012. 1 #12;governing the bulk fluid or materialBoundary Integral Methods for Multicomponent Fluids and Multiphase Materials T.Y. Hou J

  9. FULLYDISCRETE FINITE ELEMENT ANALYSIS OF MULTIPHASE FLOW IN GROUNDWATER HYDROLOGY

    E-Print Network [OSTI]

    Ewing, Richard E.

    FULLY­DISCRETE FINITE ELEMENT ANALYSIS OF MULTIPHASE FLOW IN GROUNDWATER HYDROLOGY Zhangxin Chen element method for a nonlinear differential system for describing an air­water system in groundwater experiments using the present approach for modeling groundwater flow in porous media are reported. Key words

  10. 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.

  11. System for reactivating catalysts

    DOE Patents [OSTI]

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

    2010-03-02

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

  12. Non-isothermal CO2 flow through an injection well

    E-Print Network [OSTI]

    Politècnica de Catalunya, Universitat

    production - superheated steam injection The CO2 phase, whether gas, liquid or supercritical, is determined

  13. Thermographic analysis of turbulent non-isothermal water boundary layer

    E-Print Network [OSTI]

    Znamenskaya, Irina A

    2015-01-01

    The paper is devoted to the investigation of the turbulent water boundary layer in the jet mixing flows using high-speed infrared (IR) thermography. Two turbulent mixing processes were studied: a submerged water jet impinging on a flat surface and two intersecting jets in a round disc-shaped vessel. An infrared camera (FLIR Systems SC7700) was focused on the window transparent for IR radiation; it provided high-speed recordings of heat fluxes from a thin water layer close to the window. Temperature versus time curves at different points of water boundary layer near the wall surface were acquired using the IR camera with the recording frequency of 100 Hz. The time of recording varied from 3 till 20 min. The power spectra for the temperature fluctuations at different points on the hot-cold water mixing zone were calculated using the Fast Fourier Transform algorithm. The obtained spectral behavior was compared to the Kolmogorov "-5/3 spectrum" (a direct energy cascade) and the dual-cascade scenario predicted for...

  14. System for measuring multiphase flow using multiple pressure differentials

    DOE Patents [OSTI]

    Fincke, James R. (Idaho Falls, ID)

    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.

  15. The Baryon Catastrophe and the multiphase intracluster medium

    E-Print Network [OSTI]

    K. F. Gunn; P. A. Thomas

    1995-10-17

    We review the theories and observations which together have led to the concept of the Baryon Catastrophe: observations of the baryon fraction on the scale of clusters of galaxies appear to be at least three times as high as the universal baryon fraction predicted by the theory of primordial nucleosynthesis in a flat, $\\Omega_0 = 1$, universe. We investigate whether this discrepancy could be eliminated by treating the intracluster gas as a multiphase medium, and find that this treatment both lowers the calculated mass of gas in a cluster and increases the inferred gravitational potential. These combined effects can reduce the calculated baryon fraction by between a quarter and a half: the precise amount depends upon the volume fraction distribution of density phases in the gas but is independent of the temperature profile across the cluster. Thus moving to a multiphase intracluster medium cannot resolve the Baryon Catastrophe by itself; other possible causes and explanations are discussed.

  16. 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.

  17. 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.

  18. Experimental investigation of the use of drag reducing agents in conjunction with twin-screw multiphase pumps 

    E-Print Network [OSTI]

    Carrillo Plazas, Gabriel D

    2000-01-01

    Application of multiphase technology has accelerated over the past decade. The development of this technology has been driven by the challenges to economically produce from deepwater and other remote objectives. Both multiphase pumping and the use...

  19. Analytical Model of Magnet Eddy-Current Volume Losses in Multi-phase PM Machines

    E-Print Network [OSTI]

    Paris-Sud XI, Université de

    Analytical Model of Magnet Eddy-Current Volume Losses in Multi-phase PM Machines with Concentrated, 94000 Créteil France Abstract--this paper studies magnet eddy-current losses in permanent magnet (PM calculations. Keywords--Traction, Concentrated Winding, Eddy- Current, Volume Magnet Losses, Multiphase Machine

  20. Digital Control Strategy for Multi-Phase Interleaved Boundary Mode and DCM Boost PFC Converters

    E-Print Network [OSTI]

    Noé, Reinhold

    Digital Control Strategy for Multi-Phase Interleaved Boundary Mode and DCM Boost PFC Converters T switching frequency, DCM boost PFC converter can be operated with constant as well as with variable.schafmeister@delta-es.com Abstract-- A digital control strategy which provides optimal interleaving of multi-phase boost power factor

  1. Generalized Steady-state Analysis of Multiphase Interleaved Boost Converter with Coupled Inductors

    E-Print Network [OSTI]

    Lipo, Thomas

    2005-38 Generalized Steady-state Analysis of Multiphase Interleaved Boost Converter with Coupled interleaved boost converter with coupled inductors H.-B. Shin, J.-G. Park, S.-K. Chung, H.-W. Lee and T.A. Lipo Abstract: The generalised steady-state analysis of the multi-phase interleaved boost converter

  2. A Fault-Tolerant Multiphase Permanent Magnet Generator for Marine Current Turbine Applications

    E-Print Network [OSTI]

    Boyer, Edmond

    A Fault-Tolerant Multiphase Permanent Magnet Generator for Marine Current Turbine Applications on offshore wind turbine systems. Marine current turbines are characterized by a very difficult access feature. This paper deals with the use of a PM multiphase marine current turbine generator. With this kind

  3. IEEE TRANSACTIONS ON POWER ELECTRONICS, VOL. 23, NO. 4, JULY 2008 2201 Scalable Digital Multiphase Modulator

    E-Print Network [OSTI]

    IEEE TRANSACTIONS ON POWER ELECTRONICS, VOL. 23, NO. 4, JULY 2008 2201 Scalable Digital Multiphase Modulator Tony Carosa, Member, IEEE, Regan Zane, Senior Member, IEEE, and Dragan Maksimovic´, Senior Member, IEEE Abstract--An architecture is presented for digital multiphase modulators (MPM) that leads

  4. A MultiPhase Power Flow Model for Grid Analysis A. P. Sakis Meliopoulos

    E-Print Network [OSTI]

    A MultiPhase Power Flow Model for µµµµGrid Analysis A. P. Sakis Meliopoulos School of Electrical power system with distributed energy sources forming a microgrid (µGrid). The µGrid is a radial multiphase power flow analysis method that provides exact solution to the operation of the µGrid under steady

  5. Sigma-Delta Modulation of Multi-Phase High Frequency Converters

    E-Print Network [OSTI]

    Kimball, Jonathan W.

    Sigma-Delta Modulation of Multi-Phase High Frequency Converters Jonathan W. Kimball, Senior Member control architecture is proposed that merges advanced digital modulation techniques, high frequency resonant converters, and multi-phase converters. If a converter's switching frequency is high enough

  6. A Full-Wave Rectifier for Interfacing with Multi-Phase Piezoelectric Energy Harvesters*

    E-Print Network [OSTI]

    Hurst, Paul J.

    : TECHNOLOGY TRENDS: Energy Sources and Energy Harvesting Abstract A full-wave rectifier has been fabricatedA Full-Wave Rectifier for Interfacing with Multi-Phase Piezoelectric Energy Harvesters* N. J, AND HURST 1 A Full-Wave Rectifier for Interfacing with Multi-Phase Piezoelectric Energy Harvesters* N. J

  7. Numerical simulation of air/water multiphase flows for ceramic sanitary ware design by multiple GPUs

    E-Print Network [OSTI]

    8 Numerical simulation of air/water multiphase flows for ceramic sanitary ware design by multiple and manufacturing of plumbing products such as ceramic sanitary wares. In order to re-produce the complex/water multiphase flows for ceramic sanitary ware design by multiple GPUs Being a world-wide leading company, TOTO

  8. 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.

  9. Predicting multiphase flow behavior in a deviated well

    SciTech Connect (OSTI)

    Hasan, A.R.; Kabir, C.S.

    1986-01-01

    In deviated wells of an offshore producing environment, flow of two- or three - phase mixtures are invariably encountered. While large number of investigators have studied vertical multiphase flow behavior, there are few studies, often entirely empirical, that deal with deviated well systems. The main objective of this work is to present a model that predicts both flow regime and pressure gradient in a deviated wellbore. In modeling flow pattern transition and void fraction, an approach similar to that for vertical flow is taken; that is, four principal flow regimes are recognized - bubbly, slug, churn and annular.

  10. Multi-Phase Flow: Direct Numerical Simulation Igor Bolotnov

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

    AFDC Printable Version Share this resource Send a link to EERE: Alternative Fuels Data Center Home Page to someone by E-mail Share EERE: Alternative Fuels Data Center Home Page on Facebook Tweet about EERE: Alternative Fuels Data Center Home Page on Twitter Bookmark EERE: Alternative Fuels Data Center Homesum_a_epg0_fpd_mmcf_m.xls" ,"Available from WebQuantity ofkandz-cm11 Outreach Home Room NewsInformationJessework usesof Energy Moving Forward to Address Nuclear3-000 Multi-Phase

  11. 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.

  12. Development of Next Generation Multiphase Pipe Flow Prediction Tools

    SciTech Connect (OSTI)

    Tulsa Fluid Flow

    2008-08-31

    The developments of fields in deep waters (5000 ft and more) is a common occurrence. It is inevitable that production systems will operate under multiphase flow conditions (simultaneous flow of gas-oil-and water possibly along with sand, hydrates, and waxes). Multiphase flow prediction tools are essential for every phase of the hydrocarbon recovery from design to operation. The recovery from deep-waters poses special challenges and requires accurate multiphase flow predictive tools for several applications including the design and diagnostics of the production systems, separation of phases in horizontal wells, and multiphase separation (topside, seabed or bottom-hole). It is very crucial to any multiphase separation technique that is employed either at topside, seabed or bottom-hole to know inlet conditions such as the flow rates, flow patterns, and volume fractions of gas, oil and water coming into the separation devices. The overall objective was to develop a unified model for gas-oil-water three-phase flow in wells, flow lines, and pipelines to predict the flow characteristics such as flow patterns, phase distributions, and pressure gradient encountered during petroleum production at different flow conditions (pipe diameter and inclination, fluid properties and flow rates). The project was conducted in two periods. In Period 1 (four years), gas-oil-water flow in pipes were investigated to understand the fundamental physical mechanisms describing the interaction between the gas-oil-water phases under flowing conditions, and a unified model was developed utilizing a novel modeling approach. A gas-oil-water pipe flow database including field and laboratory data was formed in Period 2 (one year). The database was utilized in model performance demonstration. Period 1 primarily consisted of the development of a unified model and software to predict the gas-oil-water flow, and experimental studies of the gas-oil-water project, including flow behavior description and closure relation development for different flow conditions. Modeling studies were performed in two parts, Technology Assessment and Model Development and Enhancement. The results of the Technology assessment study indicated that the performance of the current state of the art two-phase flow models was poor especially for three-phase pipeline flow when compared with the existing data. As part of the model development and enhancement study, a new unified model for gas-oil-water three-phase pipe flow was developed. The new model is based on the dynamics of slug flow, which shares transition boundaries with all the other flow patterns. The equations of slug flow are used not only to calculate the slug characteristics, but also to predict transitions from slug flow to other flow patterns. An experimental program including three-phase gas-oil-water horizontal flow and two-phase horizontal and inclined oil-water flow testing was conducted utilizing a Tulsa University Fluid Flow Projects Three-phase Flow Facility. The experimental results were incorporated into the unified model as they became available, and model results were used to better focus and tailor the experimental study. Finally, during the Period 2, a new three-phase databank has been developed using the data generated during this project and additional data available in the literature. The unified model to predict the gas-oil-water three phase flow characteristics was tested by comparing the prediction results with the data. The results showed good agreements.

  13. Synchronous Reactive Systems Stephen Edwards

    E-Print Network [OSTI]

    -state machines 5 #12;STEPHEN EDWARDS SYNCHRONOUS REACTIVE SYSTEMS The Synchronous Model of Time SynchronousSynchronous Reactive Systems Stephen Edwards http://www.eecs.berkeley.edu/~sedwards/ University of California, Berkeley #12;STEPHEN EDWARDS SYNCHRONOUS REACTIVE SYSTEMS Outline Synchronous Reactive Systems

  14. Reactive power compensator

    DOE Patents [OSTI]

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

    1992-01-01

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

  15. 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.

  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 quantify the distribution of apertures and the nature of the asperities. Low resolution images of fluids in a sample with a shear fracture were performed and they provide the confidence that flow patterns and saturations could be determined in the future. A series of water imbibition tests were conducted in which water was injected into a fracture and its migration into the matrix was monitored with CT and DR x-ray techniques. The objective is to understand the impact of the fracture, its topology and occupancy on the nature of mass transfer between the matrix and the fracture. Counter-current imbibition next to the fracture was observed and quantified, including the influence of formation layering.

  17. Modeling twin-screw multiphase pump performance during periods of high gas volume fraction 

    E-Print Network [OSTI]

    Singh, Aditya

    2003-01-01

    Multiphase pumping is a new technology used for reducing capital investments, increasing production rates, and improving recoveries in many on-shore projects. Interest is also growing in the subsea/offshore application of ...

  18. Metamaterials Metamaterials are engineered (multiphase) materials that exhibit properties that are much

    E-Print Network [OSTI]

    Nair, Sankar

    Metamaterials Metamaterials are engineered (multiphase) materials that exhibit properties of acoustic devices operating over a broad range of frequencies and length scales. Nonlinear metamaterials functionality uniquely relies on nonlinear interactions among the metamaterial constituents. Application

  19. Well-test analysis of multi-phase flow from two layers communicating through the wellbore 

    E-Print Network [OSTI]

    Iakovlev, Serguei

    1999-01-01

    Conventional buildup analysis techniques are based on analytical solutions to the diffusivity equation that are subject to well-known assumptions. During actual well tests multi-phase flow in several layers with different ...

  20. A mechanistic investigation of nonlinear interfacial instabilities leading to slug formation in multiphase flows

    E-Print Network [OSTI]

    Campbell, Bryce K

    2015-01-01

    Many industrial applications involve the transport of multiphase flows through pipes. For instance, the design and operation of oil pipelines and production facilities relies heavily on understanding the hydrodynamics of ...

  1. Journal of Biomechanics 39 (2006) 20642073 Multiphase hemodynamic simulation of pulsatile flow

    E-Print Network [OSTI]

    Harilal, S. S.

    2006-01-01

    Journal of Biomechanics 39 (2006) 2064­2073 Multiphase hemodynamic simulation of pulsatile flow by Malek et al., (1999). The biomechanical environment in the cardiovascular system almost certainly plays

  2. J/psi production in relativistic heavy ion collisions from a multiphase transport model 

    E-Print Network [OSTI]

    Zhang, B.; Ko, Che Ming; Li, Ba; Lin, ZW; Pal, S.

    2002-01-01

    Using a multiphase transport model, we study J/psi production from interactions between charm and anticharm quarks in the initial parton phase and between D and (D) over bar mesons in the final hadron phase of relativistic ...

  3. Design and analysis of multiphase DC-DC converters with coupled inductors 

    E-Print Network [OSTI]

    Shi, Meng

    2007-09-17

    , directly coupled inductors have the benefit of low sensitivity to input variation at high frequencies. In addition, the proposed new structure for multiphase DC-DC converters has excellent current sharing performance and reduced current ripple. Computer...

  4. Effects of buoyancy source composition on multiphase plume behavior in stratification

    E-Print Network [OSTI]

    Chow, Aaron C. (Aaron Chunghin), 1978-

    2004-01-01

    Experiments are performed where a dense multiphase plume is released vertically in a salinity stratified ambient. The constituent phase composition of the initial buoyancy flux can be dense brine, particles, or a mixture ...

  5. Direct numerical simulations of multiphase flow with applications to basaltic volcanism and planetary evolution

    E-Print Network [OSTI]

    Suckale, Jenny

    2011-01-01

    Multiphase flows are an essential component of natural systems: They affect the explosivity of volcanic eruptions, shape the landscape of terrestrial planets, and govern subsurface flow in hydrocarbon reservoirs. Advancing ...

  6. American Institute of Aeronautics and Astronautics Multi-Phase Flow Computation with Semi-Lagrangian Level

    E-Print Network [OSTI]

    Frey, Pascal

    American Institute of Aeronautics and Astronautics 1 Multi-Phase Flow Computation with Semi of Aeronautics and Astronautics 2 Since Sussman, et al1 applied the level set approach for solving 2D

  7. The impact of gravity segregation on multiphase non-Darcy flow in hydraulically fractured gas wells 

    E-Print Network [OSTI]

    Dickins, Mark Ian

    2008-10-10

    ON MULTIPHASE NON-DARCY FLOW IN HYDRAULICALLY FRACTURED GAS WELLS A Thesis by MARK DICKINS Submitted to the Office of Graduate Studies of Texas A&M University in partial fulfillment of the requirements for the degree of MASTER OF SCIENCE... August 2008 Major Subject: Petroleum Engineering THE IMPACT OF GRAVITY SEGREGATION ON MULTIPHASE NON-DARCY FLOW IN HYDRAULICALLY FRACTURED GAS WELLS A Thesis by MARK DICKINS Submitted to the Office of Graduate Studies of Texas...

  8. 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.

  9. Reactive power compensating system

    DOE Patents [OSTI]

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

    1987-01-01

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

  10. 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.

  11. 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.

  12. 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.

  13. Subsea Solution for Anti-Slug Control of Multiphase Risers* E. Jahanshahi1, S. Skogestad1, M. Lieungh2

    E-Print Network [OSTI]

    Skogestad, Sigurd

    Subsea Solution for Anti-Slug Control of Multiphase Risers* E. Jahanshahi1, S. Skogestad1, M-slug control of multi-phase risers at offshore oil-fields. With new advances in the subsea tech- nology-side valve. However, a subsea choke valve placed at the well-head can not be used for preventing the riser

  14. Multiphase flow in the advanced fluid dynamics model

    SciTech Connect (OSTI)

    Bohl, W.R.; Wilhelm, D.; Berthier, J.; Parker, F.P.; Ichikawa, S.; Goutagny, L.; Ninokata, H.

    1988-01-01

    This paper describes the modeling used in the Advanced Fluid Dynamics Model (AFDM), a computer code to investigate new approaches to simulating severe accidents in fast reactors. The AFDM code has 12 topologies describing what material contacts are possible depending on the presence or absence of a given material in a computational cell, the dominant liquid, and the continuous phase. Single-phase, bubbly, churn-turbulent, cellular, and dispersed flow are permitted for the pool situations modeled. Interfacial areas between the continuous and discontinuous phases are convected to allow some tracking of phenomenological histories. Interfacial areas also are modified by models of nucleation, dynamic forces, turbulence, flashing, coalescence, and mass transfer. Heat transfer generally is treated using engineering correlations. Liquid/vapor phase transitions are handled with a nonequililbrium heat-transfer-limited model, whereas melting and freezing processes are based on equilibrium considerations. The Los Alamos SESAME equation of state (EOS) has been inplemented using densities and temperatures as the independent variables. A summary description of the AFDM numerical algorithm is provided. The AFDM code currently is being debugged and checked out. Two sample three-field calculations also are presented. The first is a three-phase bubble column mixing experiment performed at Argonne National Laboratory; the second is a liquid-liquid mixing experiment performed at Kernforschungszentrum, Karlsruhe, that resulted in rapid vapor production. We conclude that only qualitative comparisons currently are possible for complex multiphase situations. Many further model developments can be pursued, but there are limits because of the lack of a comprehensive theory, the lack of detailed multicomponent experimental data, and the difficulties in keeping the resulting model complexities tractable.

  15. Predicting multiphase flow behavior in a deviated well

    SciTech Connect (OSTI)

    Hasan, A.R. (Univ. of North Dakota (US)); Kabir, C.S. (Schlumberger Well Services (US))

    1988-11-01

    In deviated wells of an offshore producing environment, flow of two- or three-phase mixtures is invariably encountered. While many investigators have studied vertical multiphase flow behavior, few studies, often entirely empirical, deal with deviated well systems. The main objective of this work is to present a model that predicts both flow regime and pressure gradient in a deviated wellbore. In the modeling of flow-pattern transition and void fraction, an approach similar to that for vertical flow is taken; i.e., four principal flow regimes are recognized: bubbly, slug, churn, and annular. The transition form bubbly to slug flow is found to be at a local void fraction of 0.25. This transition criterion in terms of gas and liquid superficial velocities is found to be significantly affected by the well deviation, particularly in highly deviated wells. The transitions from slug to churn flow and churn to annular flow occur at high fluid velocities and are unaffected by well deviation. The velocity-profile-distribution parameter for bubbly, slug, and churn flows is found to be unaffected by the well deviation angle. Similarly, the terminal rise velocity for small bubbles also appears to be insignificantly affected by the well deviation. In contrast, the ''Taylor'' bubble-rise velocity changes dramatically as deviation angle is increased. Thus, the characters of slug and churn flows in a deviated well differ from those in a vertical well. Data on gas void fraction were obtained both from a 5-in. (127-mm) circular pipe and from annular flow channels for deviation angles up to 32/sup 0/ from the vertical. The validity of the proposed model is demonstrated with these data and with laboratory data from other sources. Several field examples are presented to show the application of the model.

  16. Reactive arthritis – two different cases

    E-Print Network [OSTI]

    Brzezinski, Piotr

    2014-01-01

    syndrome asso- ciated with psoriasis - case report. Actacutaneous lesions of psoriasis (Hg. 3). Fig. 1. BalanitisII. Comparison between psoriasis, reactive arthritis and

  17. 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 velocity and pressure, etc.) A unified, multi-scale approach is advocated to extend the necessary foundations and build the capability to simultaneously solve the fluid dynamic interface problems (interface resolution) as well as multiphase mixtures (homogenization).

  18. Performance Evaluation and CFD Simulation of Multiphase Twin-Screw Pumps 

    E-Print Network [OSTI]

    Patil, Abhay

    2013-05-16

    successfully by Shell in 1995 and the first subsea multiphase twin screw pump was installed by CNR in 2005 in the North Sea (Hua et al. 2012). As a result of the successful performance of multiphase pumps in different field 2 conditions, the market... is analyzed as a function of pressure differential. Neumann 1991 highlighted some of the key problems associated with twin-screw pumps. Tests were conducted on a 1000KW vertically installed subsea pump. Based on design the pump was expected to run for 6...

  19. Modeling of wet gas compression in twin-screw multiphase pump 

    E-Print Network [OSTI]

    Xu, Jian

    2009-05-15

    are more insensitive to liquid slugs and large change in inlet gas density (Putra and Uphold, 1999). It is the most widely utilized multiphase pump (Scott et al., 2006). The biggest physical challenge for the multiphase pump in oil and gas industry... is no longer isothermal. The experimental data with GVF > 96% show tremendous temperature increase between the inlet and outlet of twin-screw pump (Singh, 2003). With the high demand of wet gas compression system, it is necessary to model the performance...

  20. A Tariff for Reactive Power

    SciTech Connect (OSTI)

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

    2008-07-01

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

  1. Capabilities of Numerical Simulation of Multiphase Flows in Centrifugal Pumps using Modern CFD Software

    E-Print Network [OSTI]

    Kochevsky, A N

    2005-01-01

    The paper describes capabilities of numerical simulation of liquid flows with solid and/or gas admixtures in centrifugal pumps using modern commercial CFD software packages, with the purpose to predict performance curves of the pumps treating such media. In particular, the approaches and multiphase flow models available in the package CFX-5 are described; their advantages and disadvantages are analyzed.

  2. Proton equilibration in the chloroplast modulates multiphasic kinetics of nonphotochemical quenching

    E-Print Network [OSTI]

    Proton equilibration in the chloroplast modulates multiphasic kinetics of nonphotochemical between theelectrochemical proton gradient established in the light and the cellular ATP/ADP+Pi ratio. This is followed by a slower phase, which reflects the decay of the proton motive force at equilibrium, due

  3. FORWARD DELAY TIMES IN MULTI--PHASE DISCRETE--TIME RENEWAL PROCESSES

    E-Print Network [OSTI]

    Roughan, Matthew

    /repair models and in variants of the M=G=1 queue such as occur in modelling road traffic. The key renewal been used heav­ ily in stochastic modelling. Nakagawa and Osaki (1976) proposed a new type of renewal/repair model in which the system undergoes a series of breakdowns and 1 #12; MULTI--PHASE RENEWAL PROCESSES 2

  4. Formation of Droplets and Mixing in Multiphase Microfluidics at Low Values of the Reynolds and the

    E-Print Network [OSTI]

    Ismagilov, Rustem F.

    Formation of Droplets and Mixing in Multiphase Microfluidics at Low Values of the Reynolds, The University of Chicago, 5735 South Ellis Avenue, Chicago, Illinois 60637 Received March 4, 2003. In Final Form formation of droplets, or plugs, of multiple aqueous reagents without bringing reagents into contact prior

  5. Photovoltaic effect in multiphase Bi-Mn-O thin J. P. Chakrabartty,1

    E-Print Network [OSTI]

    Photovoltaic effect in multiphase Bi-Mn-O thin films J. P. Chakrabartty,1 R. Nechache,2,4 C and therefore the photovoltaic conversion efficiency. Specifically, a higher Bi/Mn ratio (towards unity separation. ©2013 Optical Society of America OCIS codes: (040.5350) Photovoltaic; (160.2260) Ferroelectrics

  6. Multi-GPU Computation of Multi-phase Field Simulation of the Evolution of

    E-Print Network [OSTI]

    competition in the field of new materials, the infrastructure of computational materials engineering has grown and help efficiently produce new materials. In particular, the multi-phase field (MPF) method[1] has in materials by assuming that the total free energy of the material monotonically decreases with time. When we

  7. Fluctuation-induced dynamics of multiphase liquid jets with ultra-low interfacial tension

    E-Print Network [OSTI]

    Paris-Sud XI, Université de

    Fluctuation-induced dynamics of multiphase liquid jets with ultra-low interfacial tension Alban with an ultra-low interfacial tension presents new opportunities to the control of flow morphologies perturbation; this demonstrates the importance of the inertial effects in flow control at ultra-low interfacial

  8. 1 Copyright 1999 by ASME MULTI-PHASE CFD ANALYSIS OF NATURAL AND VENTILATED CAVITATION

    E-Print Network [OSTI]

    Kunz, Robert Francis

    volume fraction transport/generation for liquid, condensable vapor and non-con- densable gas fields reduction can be realized if bodies are partially or fully envel- oped in a large natural or ventilated gas1 Copyright © 1999 by ASME MULTI-PHASE CFD ANALYSIS OF NATURAL AND VENTILATED CAVITATION ABOUT

  9. GLOBAL OPTIMIZATION OF MULTIPHASE FLOW NETWORKS IN OIL AND GAS PRODUCTION SYSTEMS

    E-Print Network [OSTI]

    Johansen, Tor Arne

    1 GLOBAL OPTIMIZATION OF MULTIPHASE FLOW NETWORKS IN OIL AND GAS PRODUCTION SYSTEMS MSc. Hans, NTNU, Trondheim, Norway Abstract A mathematical program for finding the optimal oil production rates in an oil production system is developed. Each well may be manipulated by injecting lift gas and adjusting

  10. Thesis proposal CSF Brazil 2014 Continuous oscillatory baffled reactors for fast multiphase reactions

    E-Print Network [OSTI]

    Bordenave, Charles

    is for the chemical and process industries. In particular it will focus on the development of the #12;continuous face is the creation of innovative processes for the production of commodity and intermediate productsThesis proposal CSF Brazil 2014 Title: Continuous oscillatory baffled reactors for fast multiphase

  11. Emergence and Control of Multiphase Nonlinear Waves by Synchronization L. Friedland1

    E-Print Network [OSTI]

    Friedland, Lazar

    Emergence and Control of Multiphase Nonlinear Waves by Synchronization L. Friedland1 and A. G to the number of terms in the drive, while the frequencies and amplitudes of the emerging waveform proceed by presenting results of numerical simu- lations illustrating our ideas. Figure1 shows emergence

  12. A SHARP INTERFACE REDUCTION FOR MULTIPHASE TRANSPORT IN A POROUS FUEL CELL ELECTRODE

    E-Print Network [OSTI]

    Stockie, John

    A SHARP INTERFACE REDUCTION FOR MULTIPHASE TRANSPORT IN A POROUS FUEL CELL ELECTRODE KEITH exchange membrane fuel cell is a highly porous material which acts to distribute reactant gases uniformly perturbation, fuel cell electrodes, free surface. AMS subject classifications. 35B40, 35K55, 76R99, 76S05 1

  13. The Effect of Slip Velocity on Saturation for Multiphase Condensing Mixtures in a PEM Fuel Cell

    E-Print Network [OSTI]

    Stockie, John

    The Effect of Slip Velocity on Saturation for Multiphase Condensing Mixtures in a PEM Fuel Cell in computed results reported in the fuel cell literature, but which has not yet received a satisfactory to treat the slip velocity between phases. Keywords: Condensation ­ Two Phase Flow ­ PEM Fuel Cell ­ Slip

  14. 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.

  15. An experimental investigation on the multiphase flows and turbulent mixing in a flat-panel photobioreactor

    E-Print Network [OSTI]

    Hu, Hui

    . Multiphase flows . Particle image velocimetry (PIV) measurements Introduction Microalgae are an ideal source very high biomass productivity (Wu and Merchuk 2004; Chisti 2007). Depending on the carbon num- ber biomass, closed loop PBRs have many inher- ent advantages such as well-controlled culture conditions

  16. d+Au Collisions from A MultiPhase Transport Model

    E-Print Network [OSTI]

    Lin, Zi-wei

    d+Au Collisions from A MultiPhase Transport Model Structure of AMPT Model Results for d's Parton Cascade) Partons freeze out Lund fragmentation to hadrons using HIJING ART (A Relativistic Transport model for hadrons) A+B Final output Zhang et al, PRC61; ZWL et al, PRC64, NPA698 Wang

  17. An energy preserving formulation for the simulation of multiphase turbulent flows.

    E-Print Network [OSTI]

    Fuster, Daniel

    scheme for the simulation of turbulent mul- tiphase flows. The method is based on the discretizationAn energy preserving formulation for the simulation of multiphase turbulent flows. Abstract formulation reduces the numerical diffusion with respect to previous formulations dealing with multiple phases

  18. Thermal analysis of vascular reactivity 

    E-Print Network [OSTI]

    Deshpande, Chinmay Vishwas

    2009-05-15

    ANALYSIS OF VASCULAR REACTIVITY A Thesis by CHINMAY DESHPANDE Submitted to the Office of Graduate Studies of Texas A&M University in partial fulfillment of the requirements for the degree of MASTER OF SCIENCE Approved by: Chair of Committee, Obdulia Ley... of Advisory Committee: Dr. Obdulia Ley Cardiovascular disease (CVD) is the leading cause of death in the United States. Analysis of vascular reactivity (VR) in response to brachial artery occlusion is used to estimate arterial health and to determine...

  19. 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. (Big Bear City, CA); Gallegos-Lopez, Gabriel (Torrance, CA); Kinoshita, Michael H. (Redondo Beach, CA)

    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.

  20. Development of Micro/Nano-Scale Sensors for Investigation of Heat Transfer in Multi-Phase Flows 

    E-Print Network [OSTI]

    Jeon, Sae Il

    2012-10-19

    The objective of this investigation was to develop micro/nano-scale temperature sensors for measuring surface temperature transients in multi-phase flows and heat transfer. Surface temperature fluctuations were measured on substrates exposed...

  1. Lattice Boltzmann methods for multiphase flow and phase-change heat transfer

    E-Print Network [OSTI]

    Li, Qing; Kang, Q J; He, Y L; Chen, Q; Liu, Q

    2015-01-01

    Over the past few decades, tremendous progress has been made in the development of particle-based discrete simulation methods versus the conventional continuum-based methods. In particular, the lattice Boltzmann (LB) method has evolved from a theoretical novelty to a ubiquitous, versatile and powerful computational methodology for both fundamental research and engineering applications. It is a kinetic-based mesoscopic approach that bridges the microscales and macroscales, which offers distinctive advantages in simulation fidelity and computational efficiency. Applications of the LB method have been found in a wide range of disciplines including physics, chemistry, materials, biomedicine and various branches of engineering. The present work provides a comprehensive review of the LB method for thermofluids and energy applications, focusing on multiphase flows, thermal flows and thermal multiphase flows with phase change. The review first covers the theoretical framework of the LB method, revealing the existing ...

  2. Laboratory setup and results of experiments on two-dimensional multiphase flow in porous media

    SciTech Connect (OSTI)

    McBride, J.F. (ed.) (Pacific Northwest Lab., Richland, WA (USA)); Graham, D.N. (ed.); Schiegg, H.O. (SIMULTEC Ltd., Meilen/Zurich (Switzerland))

    1990-10-01

    In the event of an accidental release into earth's subsurface of an immiscible organic liquid, such as a petroleum hydrocarbon or chlorinated organic solvent, the spatial and temporal distribution of the organic liquid is of great interest when considering efforts to prevent groundwater contamination or restore contaminated groundwater. An accurate prediction of immiscible organic liquid migration requires the incorporation of relevant physical principles in models of multiphase flow in porous media; these physical principles must be determined from physical experiments. This report presents a series of such experiments performed during the 1970s at the Swiss Federal Institute of Technology (ETH) in Zurich, Switzerland. The experiments were designed to study the transient, two-dimensional displacement of three immiscible fluids in a porous medium. This experimental study appears to be the most detailed published to date. The data obtained from these experiments are suitable for the validation and test calibration of multiphase flow codes. 73 refs., 140 figs.

  3. 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.

  4. An Inertial Cell Model for the Drag Force in Multi-phase Flow

    E-Print Network [OSTI]

    Tupper, Gary; Mainza, Aubrey

    2015-01-01

    A new model for the drag coefficient of a sphere in a concentrated system is described. It is based upon a cell-averaged model for the Stokes regime combined with a physically motivated extrapolation to arbitrary Reynolds number. It can be used as an alternative to the isolated particle drag coefficient in Euler-Lagrange modelling of solid-liquid multi-phase flow.The corresponding drag force also provides a dynamic bed equation for use in Euler-Euler modelling.

  5. CFD Simulation and Experimental Testing of Multiphase Flow Inside the MVP Electrical Submersible Pump 

    E-Print Network [OSTI]

    Rasmy Marsis, Emanuel 1983-

    2012-08-16

    results for both the void fraction and pressure distribution agreed with the experimental results. Medvitz et al. (2002) used multiphase CFD analysis to study the cavitating flow inside a centrifugal pump. The authors used the two-phase homogenous RANS... equations. The simulation included both steady state and transient analysis for different flow coefficients and different cavitation numbers and could successfully predict cavitation inside the pump. Gonzalez et al. (2002) conducted many CFD analyses...

  6. A Multiphase First Order Model for Non-Equilibrium Sand Erosion, Transport and Sedimentation

    E-Print Network [OSTI]

    Preziosi, Luigi; Bruno, Luca

    2015-01-01

    Three phenomena are involved in sand movement: erosion, wind transport, and sedimentation. This paper presents a comprehensive easy-to-use multiphase model that include all three aspects with a particular attention to situations in which erosion due to wind shear and sedimentation due to gravity are not in equilibrium. The interest is related to the fact that these are the situations leading to a change of profile of the sand bed.

  7. X-Ray Evidence for Multiphase Hot Gas with Solar Abundances in the Brightest Elliptical Galaxies

    E-Print Network [OSTI]

    David A. Buote

    1999-06-22

    We examine whether isothermal models of the hot gas can successfully describe the ASCA and ROSAT spectra of NGC 1399, NGC 4472, NGC 4636, and NGC 5044. Broad-band spectral fitting of the ASCA SIS and GIS data accumulated within a radius of ~5 arcmin for each galaxy shows that isothermal models are unable to fit the SIS data near 1 keV. In addition, these isothermal models typically fail to produce the large equivalent widths of the K-alpha line blends of the H-like and He-like ions of Si and S which are measured independently of the Fe L emission lines. Two-temperature models provide excellent broad-band fits to both the SIS and GIS data of each galaxy with the relative abundances (except for NGC 4636) fixed at their solar values. A simple multiphase cooling flow model fits nearly as well as the two-temperature model for NGC 1399, NGC 4472, and NGC 5044. The multiphase models also predict more accurately the Si and S equivalent widths and the ratios of Si XIV/XIII and S XVI/XV than the isothermal models. Using various approaches we find that the temperature gradients inferred from the ROSAT PSPC data of these galaxies, especially for NGC 1399 and NGC 5044, are inconsistent with the isothermal models derived from fitting the ASCA data within a single-aperture but are very consistent with the multiphase models. Therefore, models which assume isothermal gas within r ~5 arcmin are inconsistent with both the ASCA and ROSAT PSPC data of these elliptical galaxies. Simple two-temperature models and multiphase cooling flows provide good descriptions of these data sets with Fe abundances of ~1-2 solar and (except for NGC 4636) relative abundances fixed at their solar values. We discuss the implications of these nearly solar abundances. (Abridged)

  8. 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).

  9. Mitochondrial reactive oxygen species and cancer

    E-Print Network [OSTI]

    Chandel, Navdeep S

    Mitochondria produce reactive oxygen species (mROS) as a natural by-product of electron transport chain activity. While initial studies focused on the damaging effects of reactive oxygen species, a recent paradigm shift ...

  10. 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).

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

    SciTech Connect (OSTI)

    Pruess, K. [Lawrence Berkeley Lab., CA (United States)

    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.

  12. Reprocessing of radiation by multi-phase gas in Low Luminosity Accretion Flows

    E-Print Network [OSTI]

    A. Celotti; M. J. Rees

    1998-07-24

    We discuss the role that magnetic fields in low luminosity accretion flows can play in creating and maintaining a multi-phase medium, and show that small magnetically-confined clouds or filaments of dense cold gas can dramatically reprocess the `primary' radiation from tori. In particular, radio emission would be suppressed by free-free absorption, and an extra (weak) component would appear at optical wavelengths. This is expected to be a common process in various environments in the central regions of Active Galaxies, such as broad line regions, accretion disk coronae and jets.

  13. On the analysis of a non-isothermal model for superconductivity

    E-Print Network [OSTI]

    1910-31-00

    Sep 3, 2003 ... electro-magnetic energies through Joule heating. ...... [20] J. L. Lions, Control of Distributed Singular Systems, Gauthier-Villars, Paris. (1985).

  14. 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

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

    SciTech Connect (OSTI)

    Rutqvist, Jonny [Lawrence Berkeley National Lab., CA (United States); Cappa, Frederic [Lawrence Berkeley National Lab., CA (United States); Rinaldi, Antonio P. [Lawrence Berkeley National Lab., CA (United States); Godano, Maxime [Univ. of Nice Sophia-Antipolis (France)

    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.

  16. Reactive composite compositions and mat barriers

    DOE Patents [OSTI]

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

    2001-01-01

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

  17. Sensitivity of Tropospheric Chemical Composition to Halogen-Radical Chemistry Using a Fully Coupled Size-Resolved Multiphase Chemistry-Global Climate System: Halogen Distributions, Aerosol Composition, and Sensitivity of Climate-Relevant Gases

    SciTech Connect (OSTI)

    Long, M.; Keene, W. C.; Easter, Richard C.; Sander, Rolf; Liu, Xiaohong; Kerkweg, A.; Erickson, D.

    2014-04-07

    Observations and model studies suggest a significant but highly non-linear role for halogens, primarily Cl and Br, in multiphase atmospheric processes relevant to tropospheric chemistry and composition, aerosol evolution, radiative transfer, weather, and climate. The sensitivity of global atmospheric chemistry to the production of marine aerosol and the associated activation and cycling of inorganic Cl and Br was tested using a size-resolved multiphase coupled chemistry/global climate model (National Center for Atmospheric Research’s Community Atmosphere Model (CAM); v3.6.33). Simulation results showed strong meridional and vertical gradients in Cl and Br species. The simulation reproduced most available observations with reasonable confidence permitting the formulation of potential mechanisms for several previously unexplained halogen phenomena including the enrichment of Br- in submicron aerosol, and the presence of a BrO maximum in the polar free troposphere. However, simulated total volatile Br mixing ratios were generally high in the troposphere. Br in the stratosphere was lower than observed due to the lack of long-lived organobromine species in the simulation. Comparing simulations using chemical mechanisms with and without reactive Cl and Br species demonstrated a significant temporal and spatial sensitivity of primary atmospheric oxidants (O3, HOx, NOx), CH4, and non-methane hydrocarbons (NMHC’s) to halogen cycling. Simulated O3 and NOx were globally lower (65% and 35%, respectively, less in the planetary boundary layer based on median values) in simulations that included halogens. Globally, little impact was seen in SO2 and non-sea-salt SO42- processing due to halogens. Significant regional differences were evident: The lifetime of nss-SO42- was extended downwind of large sources of SO2. The burden and lifetime of DMS (and its oxidation products) were lower by a factor of 5 in simulations that included halogens, versus those without, leading to a 20% reduction in nss-SO42- in the southern hemisphere planetary boundary layer based on median values.

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

    SciTech Connect (OSTI)

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

    2013-07-30

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

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

    SciTech Connect (OSTI)

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

    2013-01-01

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

  20. A Multiphase, Modular, Bidirectional, Triple-Voltage DC-DC Converter Power Systems

    SciTech Connect (OSTI)

    Su, Gui-Jia [ORNL; Tang, Lixin [ORNL

    2008-01-01

    Electrical power systems in future hybrid and fuel cell vehicles may employ three voltage [14 V, 42 V, and high voltage (HV)] nets. These will be necessary to accommodate existing 14-V loads as well as efficiently handle new heavy loads at the 42-V net and a traction drive on the HV bus. A low-cost DC-DC converter was proposed for connecting the three voltage nets. It minimizes the number of switches and their associated gate driver components by using two half-bridges and a high-frequency transformer. Another salient feature is that the half bridge on the 42-V bus is also utilized to provide the 14-V bus by operating at duty ratios around an atypical value of 1/3. Moreover, it makes use of the parasitic capacitance of the switches and the transformer leakage inductance for soft switching. The use of half bridges makes the topology well suited for interleaved multiphase modular configurations as a means to increase the power level because the capacitor legs can be shared. This paper presents simulation and experimental results on an interleaved two-phase arrangement rated at 4.5 kW. Also discussed are the benefits of operating with an atypical duty ratio on the transformer and a preferred multiphase configuration to minimize capacitor ripple currents.

  1. 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.

  2. 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.

  3. Mathematical analysis and numerical simulation of multi-phase multi-component flow in heterogeneous porous media

    E-Print Network [OSTI]

    Cirpka, Olaf Arie

    methods Mathematical modelling CO2 storage Enhanced oil recovery Groundwater contamination Multi-phase multi-component flow processes are fundamental to engineering applications in hydrocarbon and geothermal The transport of dissolved chemical components (e.g., CO2, NaCl, CH4) in different fluid phases (e.g., water

  4. IEEE TRANSACTIONS ON POWER ELECTRONICS, VOL. 25, NO. 7, JULY 2010 1761 A Soft Switching Scheme for Multiphase

    E-Print Network [OSTI]

    Mazumder, Sudip K.

    outlines a switching scheme to improve the energy efficiency for an isolated high-frequency multiphase dc the standpoints of cost, efficiency, and footprint. Index Terms--High efficiency, high-frequency link, isolated. It is more suitable for isolated low-voltage dc to three-phase high-voltage ac applications from

  5. Fusion Engineering and Design 81 (2006) 15211526 Application of the level set method for multi-phase flow

    E-Print Network [OSTI]

    Abdou, Mohamed

    2006-01-01

    -phase flow computation in fusion engineering X-Y. Luo, M-J. Ni, A. Ying, M. Abdou Mechanical and Aerospace: Level set method; RKCN projection method; Spray droplet; Multi-phase flow 1. Introduction There are many compatibility will likely set a limit on the amount of material allowed to evaporate or sput- ter from

  6. A Multiphase Model for Cold Start of Polymer Electrolyte Fuel Leng Mao, Chao-Yang Wang,*,z

    E-Print Network [OSTI]

    interactions. The governing equations of mass, momentum, species, heat, and charge transport under coldA Multiphase Model for Cold Start of Polymer Electrolyte Fuel Cells Leng Mao, Chao-Yang Wang is presented to describe transport and electrochemical processes with ice formation during startup of polymer

  7. 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#14;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.

  8. Exploring the reactivity of bacterial multicomponent monooxygenases

    E-Print Network [OSTI]

    Tinberg, Christine Elaine

    2010-01-01

    Chapter 1. Introduction: The Reactivity of Bacterial Multicomponent Monooxygenases Bacterial multicomponent monooxygenases constitute a remarkable family of enzymes that oxidize small, inert hydrocarbon substrates using ...

  9. 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

  10. High Efficiency Fuel Reactivity Controlled Compression Ignition...

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

    High Efficiency Fuel Reactivity Controlled Compression Ignition Combustion An optimized dual-fuel PCCI concept, RCCI, is proposed. deer10reitz.pdf More Documents & Publications...

  11. Permeable Reactive Barriers | Department of Energy

    Office of Environmental Management (EM)

    reaction occurs with the barrier material that results in adsorption, mineral precipitation, or degradation to a harmless compound. Reactive barriers that do not incorporate...

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

    DOE Patents [OSTI]

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

    2008-08-05

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

  13. 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.

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

    DOE Patents [OSTI]

    Beller, Laurence S. (Idaho Falls, ID)

    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.

  15. 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.

  16. 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.

  17. 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.

  18. 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

  19. Emergency relief system design for fire exposure with consideration of multiphase flow

    SciTech Connect (OSTI)

    Forrest, H.S. [ABB Lummus Global Inc., Bloomfield, NJ (United States)

    1995-12-31

    Design methods are presented for deciding whether or not multiphase flow needs to be considered; and if so, for sizing emergency relief systems and estimating the liquid carryover for fire exposure to vessels. The methods apply for fire exposure to both low pressure storage tanks and pressure vessels containing churn-turbulent and bubbly/foamy fluids which do not react exothermically. Design methods are presented for right circular cylindrical vessels, horizontal vessels, spherical vessels and vessel jackets. Design methods are also presented for fluids which decompose endothermically with gaseous decomposition products at temperatures below the boiling point at the relieving pressure. The methods also estimate the amount of additional liquid carryover due to blowdown for oversized relief systems. 11 refs., 1 fig., 2 tabs.

  20. 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.

  1. 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

  2. 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.

  3. 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 [AREVA NC (France)

    2012-07-01

    In the wake of the March 11 earthquake and tsunami and the subsequent flooding of several of the Fukushima Dai-Ichi reactors, Japan and the Japanese utility TEPCO faced a crisis situation with incredible challenges: substantial amounts of radioactive mixed seawater and freshwater accumulated in the basements of four reactor and other buildings on the site. This water held varying levels of contamination due to the fact that it had been in contact with damaged fuel elements in the cores and with other contaminated components. The overall water inventory was estimated at around 110,000 tons of water with contamination levels up to the order of 1 Ci/l. Time was of the essence to avoid overflow of this accumulated water into the ocean. AREVA proposed, designed and implemented a water treatment solution using a proven chemical coprecipitation process with ppFeNi reagent, which is currently in use for effluent treatment on several nuclear sites including AREVA sites. In addition to the extremely short schedule the other challenge was to adapt the chemical treatment process to the expected composition of the Fukushima water and, in particular, to evaluate the impact of salinity on process performance. It was also necessary to define operating conditions for the VEOLIA equipment that had been selected for implementation of the process in the future facility. The operation phase began on June 17, and by the end of July more than 30,000 tons of highly radioactive saltwater had been decontaminated - the Decontamination Factor (DF) for Cesium was ?10{sup 4}. It allowed recycling the contaminated water to cool the reactors while protecting workers and the environment. This paper focuses on the Actiflo{sup TM}-Rad water treatment unit project that was part of the TEPCO general water treatment scheme. It presents a detailed look at the principles of the Actiflo{sup TM}-Rad, related on-the-fly R and D, an explanation of system implementation challenges, and a brief summary of 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)

  4. Reactive Power Support Services in Electricity Markets

    E-Print Network [OSTI]

    Reactive Power Support Services in Electricity Markets Costing and Pricing of Ancillary Services Reactive Power Support Services in Electricity Markets Costing and Pricing of Ancillary Services Project and Pricing of Ancillary Services." The project title reflects the original proposal that was prepared

  5. Controlling uranium reactivity March 18, 2008

    E-Print Network [OSTI]

    Meyer, Karsten

    March 2008 Controlling uranium reactivity March 18, 2008 Uranium is an often misunderstood metal uranium research. In reality, uranium presents a wealth of possibilities for funda- mental chemistry. Many research groups have been involved in utilizing the large size and unique reactivity of the uranium atom

  6. Shield Synthesis: Runtime Enforcement for Reactive Systems

    E-Print Network [OSTI]

    Wang, Chao

    Shield Synthesis: Runtime Enforcement for Reactive Systems Roderick Bloem1 , Bettina K¨onighofer1 shield" that is attached to the design to enforce the properties at run time. Shield synthesis can of reactive synthesis. The shield continuously monitors the input/output of the design and corrects its erro

  7. 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.

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

    Office of Scientific and Technical Information (OSTI)

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

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

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

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

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

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

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

  11. 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...

  12. Generation of highly reactive oxygen species by co-adsorption of oxygen and water on metal-supported MgO(100) thinfilms

    E-Print Network [OSTI]

    Song, Zhenjun

    2015-01-01

    The formation of highly reactive oxygen species (ROS) on metal oxide surfaces have attracted considerable interest due to their diverse applications. In this work, we have performed densi-ty-functional theory calculations to investigate the co-adsorption of oxygen and water on ul-trathin MgO(100) films deposited on Mo(100) substrate. We reveal that the molecular oxygen can be stepwise decomposed completely with the assistance of water. Consequently, a series of highly ROS including superoxide, hydroperoxide, hydroxyl and single oxygen adatom are formed on Mo(100) supported MgO(100) thinfilms. The reaction barriers accompanied by the generation of ROS are reported, and the influence of the thickness of MgO(100) films is also discussed. The most promising routes to produce these fascinating species provide valuable information to understand the importance of synergistic effect, namely the substrate, the co-adorbed species, and the film thickness, in multiphase catalyst design.

  13. Theoretical and Experimental Evaluation of Chemical Reactivity 

    E-Print Network [OSTI]

    Wang, Qingsheng

    2011-10-21

    theoretical and experimental methods. Methylcyclopentadiene (MCP) and Hydroxylamine (HA) are selected as representatives of unsaturated hydrocarbons and self-reacting chemicals, respectively. Chemical reactivity of MCP, including isomerization, dimerization...

  14. Reactivity control assembly for nuclear reactor

    DOE Patents [OSTI]

    Bollinger, Lawrence R. (Schenectady, NY)

    1984-01-01

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

  15. Cell Comp't Thermal Reactivity & Improvements

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

    for better abuse tolerance Coating cathode particle with stable nano-films of Al-oxide or Al-fluoride that act as a barrier against electrolyte reactivity with cathodes ...

  16. 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.

  17. Groundwater well with reactive filter pack

    DOE Patents [OSTI]

    Gilmore, Tyler J. (Pasco, WA); Holdren, Jr., George R. (Kennewick, WA); Kaplan, Daniel I. (Richland, WA)

    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.

  18. Systematic approach for chemical reactivity evaluation 

    E-Print Network [OSTI]

    Aldeeb, Abdulrehman Ahmed

    2004-09-30

    incidents, and have harmed people, property, and the environment. Evaluation of reactive chemical hazards is critical to design and operate safer chemical plant processes. Much effort is needed for experimental techniques, mainly calorimetric analysis...

  19. Reactive Attachment Disorder: Concepts, Treatment, and Research

    E-Print Network [OSTI]

    Walter, Uta M.; Petr, Chris

    2004-06-01

    Reactive Attachment Disorder (RAD) is a disorder characterized by controversy, both with respect to its definition and its treatment. By definition, the RAD diagnosis attempts to characterize and explain the origin of certain troubling behaviors...

  20. International Conference on Multiphase Flow, ICMF 2010, Tampa, FL, May 30 June 4, 2010

    E-Print Network [OSTI]

    McFadden, Geoffrey B.

    reactive wetting in high-temperature metallic systems involved fitting experimental dynamic contact angle formation lags the liquid front. In this regime, the contact angles are then dictated by adsorption or base radius curves by different functions, see for exam- ple Ambrose et al. (1992, 1993

  1. 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.

  2. An Origin for Multi-Phase Gas in Galactic Winds and Halos

    E-Print Network [OSTI]

    Thompson, Todd A; Zhang, Dong; Weinberg, David

    2015-01-01

    The origin of high velocity cool gas seen in galactic winds remains unknown. Following Wang (1995), we argue that rapid radiative cooling in initially hot (10^7-10^8 K) thermally-driven outflows can produce fast neutral atomic and photoionized cool gas. Outflows with hot gas mass-loading factor relative to star formation rate of beta > 0.5 cool on scales ranging from the size of the host to tens of kpc. We provide scalings for the cooling radius r_cool, density, column density, emission measure, radiative efficiency, and cool gas velocity. At r_cool, the gas produces X-ray and then UV/optical line emission at velocities of hundreds to thousands of km/s with a total power bounded from above by the energy injection rate 0.01 L_star if the flow is powered by steady-state star formation with luminosity L_star. The wind is thermally and convectively unstable at and beyond r_cool. Thermal instability can amplify density fluctuations by a factor of ~100, potentially leading to a multi-phase medium. Cooled winds can ...

  3. 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).

  4. 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.

  5. Seismic signatures of multiphase reservoir fluid distributions: Application to reservoir monitoring

    SciTech Connect (OSTI)

    Packwood, J.L.; Mavko, G.M.

    1995-12-31

    We present an investigation of the effect of multi-phase pore fluid distributions on the seismic velocity of saturated rock as a function of temperature and pressure. The purpose is to show how different fluid distributions might result in different seismic signatures. This is the rock physics link between reservoir simulation and seismic monitoring of hydrocarbon; (1) Uniform effective fluid, (2) Fluid in patches, and (3) Laminated fluid. The latter two models have heterogeneous distributions, and demonstrate that they have the same velocity characteristics. We used Beaver sandstone with a porosity of 6.4% and 5 MPa confining pressure as the rock matrix for our calculations. The uniform fluid model shows poor sensitivity to fluid saturation, with a variation in velocity of less than 1% when gas saturation exceeds 2%. The heterogeneous models show a fairly linear dependence of velocity on saturation with a variation of 7%. We also investigate the effect of oil distillation on seismic velocities during steam flooding. Comparisons velocities calculated using the patches model at temperature of 20{degrees}C and 150{degrees}C, the choice of hydrocarbon components is more critical at high values of oil saturation than at low values of oil saturation. In regions of high oil saturation, there is less than 0.5% variation in velocity using these components. The velocity variation using the effective fluid model at the same conditions is less than 0.5% over the entire range of gas saturation greater than 2%, indicating that the choice of hydrocarbons is not as critical as in the patches model.

  6. Water reactive hydrogen fuel cell power system

    DOE Patents [OSTI]

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

    2014-11-25

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

  7. Water reactive hydrogen fuel cell power system

    DOE Patents [OSTI]

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

    2014-01-21

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

  8. Numerical modeling of multiphase plumes: a comparative study between two-fluid and mixed-fluid integral models 

    E-Print Network [OSTI]

    Bhaumik, Tirtharaj

    2005-11-01

    -field effects of a multiphase plume of liquid CO2 droplets in ocean water finds potential in estimating the environmental risks involved due to deep-ocean sequestration of greenhouse gases like carbon dioxide, which is one of the proposed alternatives (Liro... for the diffuser orifice diameter, air-flow rate and the number of such ports necessary to dissolve a measured quantity of air in a given time of operation will also be studied. 3.3. Case 3: CO2 Sequestration in the Ocean Sequestration of carbon dioxide and other...

  9. Multiphase Flow Metering: An Overview Manoj Kumar KM, Senior Scientist, Non-destructive Evaluation Lab, GE Global Research,

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

    AFDC Printable Version Share this resource Send a link to EERE: Alternative Fuels Data Center Home Page to someone by E-mail Share EERE: Alternative Fuels Data Center Home Page on Facebook Tweet about EERE: Alternative Fuels Data Center Home Page on Twitter Bookmark EERE: Alternative Fuels Data Center Homesum_a_epg0_fpd_mmcf_m.xls" ,"Available from WebQuantityBonneville Power Administration wouldMass map shines light on77 PAGEMissionStressMove dataKiel7Multimodal ImagingMultiphase

  10. Goldschmidt Conference Abstracts 2005 Mineral Surface Reactivity

    E-Print Network [OSTI]

    Sparks, Donald L.

    Goldschmidt Conference Abstracts 2005 Mineral Surface Reactivity A492 "Hydration" of rhyolitic of Tennessee, Knoxville, Tennessee 37996, USA 2 Chemical Sciences Division, MS 6110, P.O. Box 2008, Bldg. 4500S, Oak Ridge National Laboratory, Oak Ridge, Tennessee 37831-6110, USA 3 Chemical Sciences Division, MS

  11. Neutron Radiography Reactor Reactivity -- Focused Lessons Learned

    SciTech Connect (OSTI)

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

    2010-11-01

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

  12. 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.

  13. 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.

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

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

    Samolyuk, German D.; Osetskiy, Yury N.

    2015-07-07

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

  15. Cell Comp't Thermal Reactivity & Improvements | Department of...

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

    Comp't Thermal Reactivity & Improvements Cell Comp't Thermal Reactivity & Improvements Presentation from the U.S. DOE Office of Vehicle Technologies "Mega" Merit Review 2008 on...

  16. Fluid-rock interaction: A reactive transport approach

    E-Print Network [OSTI]

    Steefel, C.

    2009-01-01

    to coupled mass transport and fluid-rock interaction in aof a reactive transport approach in fluid-rock interaction,reactive transport models for fluid-rock interaction. Case

  17. The effects of radient heat on pain reactivity 

    E-Print Network [OSTI]

    Kallina, Charles Frank

    1994-01-01

    Prior research has shown that an aversive event can produce either a decrease (hypoalgesia) or an increase in pain reactivity (hyperalgesia). The present study explores the impact of a suprathreshold exposure to radiant heat on pain reactivity. Rats...

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

    SciTech Connect (OSTI)

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

    2010-08-31

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

  19. WATER RESOURCES RESEARCH, VOL. 29, NO. 11, PAGES 3727-3740, NOVEMBER 1993 Modeling of Multiphase Transport of Multicomponent Organic Contaminants

    E-Print Network [OSTI]

    Patzek, Tadeusz W.

    WATER RESOURCES RESEARCH, VOL. 29, NO. 11, PAGES 3727-3740, NOVEMBER 1993 Modeling of Multiphase. Although these organic liquids are designatedas "nonaque- ous," i.e., immiscible with water, their solubilities in water are, in fact, sufficientto render large quantities of ground- water unfit for human use

  20. Multi-phased uplift of the southern margin of the Central Anatolian plateau, Turkey: A record of tectonic and upper mantle processes

    E-Print Network [OSTI]

    Bookhagen, Bodo

    Multi-phased uplift of the southern margin of the Central Anatolian plateau, Turkey: A record: Central Anatolian plateau uplift fluvial strath terraces cosmogenic nuclides biostratigraphy channel projection Uplifted Neogene marine sediments and Quaternary fluvial terraces in the Mut Basin, southern

  1. Journal of the Korean Physical Society, Vol. 40, No. 1, January 2002, pp. 8789 Synchronous Mirror Delay for Zero-and Multi-Phase Locking

    E-Print Network [OSTI]

    Lee, Jong Duk

    ) A clock generation circuit used in synchronous SRAM (static random access memory) was de- signedJournal of the Korean Physical Society, Vol. 40, No. 1, January 2002, pp. 8789 Synchronous Mirror by adapting SMD (synchronous mirror delay) scheme. A multi-phase synchronous circuit suited for the double

  2. 1154 IEEE TRANSACTIONS ON INDUSTRIAL ELECTRONICS, VOL. 49, NO. 5, OCTOBER 2002 A High-Torque Low-Speed Multiphase Brushless

    E-Print Network [OSTI]

    Simões, Marcelo Godoy

    -Speed Multiphase Brushless Machine--A Perspective Application for Electric Vehicles Marcelo Godoy Simões, Senior machine. The machine fits an in-wheel motor ar- rangement to be used for electric vehicle applications the work. Index Terms--Brushless machines, digital signal processors, electric machines, modeling, motor

  3. 6th International Symposium on Multiphase Flow, Heat Mass Transfer and Energy Conversion Xi'an, China, 11-15 July 2009

    E-Print Network [OSTI]

    Khandekar, Sameer

    from a variety of sources including fossil fuels (coal, natural gas, LPG, gasoline, diesel, methane in the process. Use of natural gas or naphtha as a raw material is an industrial process. Typical reactions6th International Symposium on Multiphase Flow, Heat Mass Transfer and Energy Conversion Xi

  4. Optimization of Reactive Power based on Newton-Raphson algorithm

    E-Print Network [OSTI]

    Lavaei, Javad

    the reactive power optimization procedures. Introduction In modern power system transmission technology, reactive power optimization is so important that it has direct influence on the high quality and stable transmitting electrical energy. The first part of the article describes the importance of the reactive power

  5. 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

  6. Nuclear reactivity control using laser induced polarization

    DOE Patents [OSTI]

    Bowman, Charles D. (Los Alamos, NM)

    1990-01-01

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

  7. Nuclear reactivity control using laser induced polarization

    DOE Patents [OSTI]

    Bowman, Charles D. (Los Alamos, NM)

    1991-01-01

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

  8. Reactivity control assembly for nuclear reactor. [LMFBR

    DOE Patents [OSTI]

    Bollinger, L.R.

    1982-03-17

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

  9. Non-isothermal flow in low permeable porous media: A comparison of Richards' and two-phase flow approaches

    E-Print Network [OSTI]

    Wang, W.

    2010-01-01

    test carried out at CIEMAT laboratories in Spain (OlivellaInforme 70-IMA-M-0-2, CIEMAT, a Madrid Wang W. , Kosakowski

  10. A practical method for estimating non-isothermal and formation damage skin factors for cold water injection wells 

    E-Print Network [OSTI]

    Warland, Arild

    1986-01-01

    0. 3 0. 3 0. 3 0. 3 1. 0 1. 0 1. 0 1. 0 1. 9 1. 9 1. 9 1. 9 1. 9 60 60 60 60 60 60 60 60 60 460 60 60 60 Iso Iso Non-Iso Non-Iso Iso Iso Non-Iso Non-Iso Iso Iso Non-Iso Iso Non;Iso 200 200 80 80 200 200 80... 80 200 200 80 200 80 yes yes yes yes yes yes 28 TABLE 3 (Continued) Run No. Conditions Case t& (day ) Th 1*fee t T& ('E) s mech 14 2 0. 3 100 Iso 167 15 16 17 18 19 20 21 22 23 24 25 26 27 28 2 0. 3 2 0. 3 2 0. 3 2 0...

  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. On the change in Inertial Confinement Fusion Implosions upon using an ab initio multiphase DT equation of state

    E-Print Network [OSTI]

    Caillabet, Laurent; Salin, Gwenaël; Mazevet, Stéphane; Loubeyre, Paul

    2011-01-01

    Improving the description of the equation of state (EoS) of deuterium-tritium (DT) has recently been shown to change significantly the gain of an Inertial Confinement Fusion (ICF) target (Hu et al., PRL 104, 235003 (2010)). We use here an advanced multi-phase equation of state (EoS), based on ab initio calculations, to perform a full optimization of the laser pulse shape with hydrodynamic simulations starting from 19 K in DT ice. The thermonuclear gain is shown to be a robust estimate over possible uncertainties of the EoS. Two different target designs are discussed, for shock ignition and self-ignition. In the first case, the areal density and thermonuclear energy can be recovered by slightly increasing the laser energy. In the second case, a lower in-flight adiabat is needed, leading to a significant delay (3ns) in the shock timing of the implosion.

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

    DOE Patents [OSTI]

    Ortiz, Marcos German (Idaho Falls, ID)

    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.

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

    SciTech Connect (OSTI)

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

    2013-12-01

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

  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: Implications for Time-Dependent Wellbore Leakage Citation Details In-Document Search Title:...

  16. Characterization and Surface Reactivity of Ferrihydrite Nanoparticles Assembled in Ferritin

    E-Print Network [OSTI]

    Sparks, Donald L.

    Characterization and Surface Reactivity of Ferrihydrite Nanoparticles Assembled in Ferritin Gang of the nanoparticles were characterized by AFM and STM. Scanning tunneling spectroscopy (STS) measurements suggested

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

    Office of Scientific and Technical Information (OSTI)

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

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

    Office of Scientific and Technical Information (OSTI)

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

  19. Reactive MD Simulations of Electrochemical Oxide Interfaces at...

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

    National Laboratory Reactive MD Simulations of Electrochemical Oxide Interfaces at Mesoscale PI Name: Subramanian Sankaranarayanan PI Email: skrssank@anl.gov Institution:...

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

    Office of Scientific and Technical Information (OSTI)

    uses of chemical imaging, and the development of advanced reactivity concepts in combustion and catalysis including carbon management. These activities directly benefitted...

  1. Airborne measurement of OH reactivity during INTEX-B

    E-Print Network [OSTI]

    2009-01-01

    plus OH sign), reactiv- propane ing different gases gases atisoprene (plus sign), propane (star) and propene (triangle).NMHC includes ethane, ethene, propane, propene, i-butane, n-

  2. Effects of ethanol and reactive species on Hepatitis C virus

    E-Print Network [OSTI]

    Seronello, Scott E.

    2010-01-01

    polymerase chain reaction; RNS, reactive nitrogen species;oxygen/nitrogen species (ROS/RNS) and decreased antioxidantincrease the levels of ROS/RNS, oxidized thioredoxin, lipid

  3. Reactive Dehydration technology for Production of Fuels and Chemicals...

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

    Catalytic and Reactive Distillation) for compact, inexpensive production of biomass-based chemicals from complex aqueous mixtures. SeparationPurification of Biomass...

  4. T2WELL/ECO2N

    Energy Science and Technology Software Center (OSTI)

    002966IBMPC00 T2Well/ECO2N Version 1.0: Multiphase and Non-Isothermal Model for Coupled Wellbore-Reservoir Flow of Carbon Dioxide and Variable Salinity Water  http:..esd.lbl.gov/tough/licensing.html 

  5. iTOUGH2 Command Reference

    SciTech Connect (OSTI)

    Finsterle, Stefan

    2002-06-18

    iTOUGH2 is a program for parameter estimation, sensitivity analysis, and uncertainty propagation analysis. It is based on the TOUGH2 simulator for non-isothermal multiphase flow in fractured and porous media. This report contains a detailed description of all iTOUGH2 commands.

  6. Completing the complex Poynting theorem: Conservation of reactive energy in reactive time

    E-Print Network [OSTI]

    Gerald Kaiser

    2014-12-11

    The complex Poynting theorem is extended canonically to a time-scale domain $(t, s)$ by replacing the phasors of time-harmonic fields by the analytic signals $X(r, t+is)$ of fields $X(r,t)$ with general time dependence. The imaginary time $s>0$ is shown to play the role of a time resolution scale, and the extended Poynting theorem splits into two conservation laws: its real part gives the conservation in $t$ of the scale-averaged active energy at fixed $s$, and its imaginary part gives the conservation in $s$ of the scale-averaged reactive energy at fixed $t$. At coarse scales (large $s$, slow time), where the system reduces to the circuit level, this may have applications to the theory of electric power transmission and conditioning. At fine scales (small $s$, fast time) it describes reactive energy dynamics in radiating systems.

  7. Phase of atmospheric secondary organic material affects its reactivity

    E-Print Network [OSTI]

    of the reactivity of atmospheric SOM particles. atmospheric chemistry chemical aging organic aerosol collectionPhase of atmospheric secondary organic material affects its reactivity Mikinori Kuwata and Scot T of atmospheric organic particles among solid, semisolid, and liquid phases is of keen current scientific interest

  8. Assessment of sequence homology and cross-reactivity

    SciTech Connect (OSTI)

    Aalberse, Rob C. [Department of Immunopathology, Sanquin Research at CLB, Plesmanlaan 125, 1066 CX Amsterdam (Netherlands) and Landsteiner Laboratory, Academic Medical Centre, 1066 CX Amsterdam (Netherlands)]. E-mail: r.aalberse@sanquin.nl

    2005-09-01

    Three aspects of allergenicity assessment and are discussed: IgE immunogenicity, IgE cross-reactivity and T cell cross-reactivity, all with emphasis on in-silico predictability: from amino acid sequence via 3D structure to allergenicity.(1)IgE immunogenicity depends to an overwhelming degree on factors other than the protein itself: the context and history of the protein by the time it reaches the immune system. Without specification of these two factors very few foreign proteins can be claimed to be absolutely non-allergenic. Any antigen may be allergenic, particularly if it avoids activation of TH2-suppressive mechanisms (CD8 cells, TH1 cells, other regulatory T cells and regulatory cytokines). (2)IgE cross-reactivity can be much more reliably assessed by a combination of in-silico homology searches and in vitro IgE antibody assays. The in-silico homology search is unlikely to miss potential cross-reactivity with sequenced allergens. So far, no biologically relevant cross-reactivity at the antibody level has been demonstrated between proteins without easily-demonstrable homology. (3)T cell cross-reactivity is much more difficult to predict compared to B cell cross-reactivity, and its effects are more diverse. Yet, pre-existing cross-reactive T cell activity is likely to influence the outcome not only of the immune response, but also of the effector phase of the allergic reaction.

  9. Controller Patterns for Component-based Reactive Control Software Systems

    E-Print Network [OSTI]

    Lau, Kung-Kiu

    Controller Patterns for Component-based Reactive Control Software Systems Petr Stepán, Kung-Kiu Lau Organization]: Special-Purpose and Application-Based Systems--Process control systems; D.2.2 [Software of the device they are embedded in, hence we call them reactive control systems. The general schema

  10. Abstract Interpretation of Reactive Systems DENNIS DAMS and ROB GERTH

    E-Print Network [OSTI]

    Grumberg, Orna

    Abstract Interpretation of Reactive Systems DENNIS DAMS and ROB GERTH Eindhoven University, formal methods, model checking, mu-calculus, reactive systems Correspondenceaddress: D. Dams, Dept;112 Dennis Dams et al. 1. INTRODUCTION In the model-checking approach Queille and Sifakis 1982 Clarke et al

  11. Abstract Interpretation of Reactive Systems DENNIS DAMS and ROB GERTH

    E-Print Network [OSTI]

    Dams, Dennis

    Abstract Interpretation of Reactive Systems DENNIS DAMS and ROB GERTH Eindhoven University, formal methods, model checking, mu­calculus, reactive systems Correspondence address: D. Dams, Dept; 112 \\Delta Dennis Dams et al. 1. INTRODUCTION In the model­checking approach [Queille and Sifakis 1982

  12. A REACTIVE APPROACH FOR MINING PROJECT EVALUATION UNDER PRICE UNCERTAINTY

    E-Print Network [OSTI]

    Duffy, Ken

    A REACTIVE APPROACH FOR MINING PROJECT EVALUATION UNDER PRICE UNCERTAINTY Meimei Zhang. This method often undervalues a mining project since it ignores future price uncertainty and does not allow on metal price. This paper also demonstrates that the "reactive" approach can estimate the mine project

  13. MARKETS FOR REACTIVE POWER AND RELIABILITY: A WHITE PAPER

    E-Print Network [OSTI]

    , including line and generator failures. This is the correct way, in terms of economics, to determine optimal to zero if optimal investment in reactive-power #12;3 sources (e.g., generators and reactive during contingencies, such as when failures occur, remain relatively low because of the low cost

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

    DOE Patents [OSTI]

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

    2007-08-07

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

  15. Biodiesel Fuel Property Effects on Particulate Matter Reactivity

    SciTech Connect (OSTI)

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

    2010-06-01

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

  16. Energy Dependence of Directed Flow in Au+Au Collisions from a Multi-phase Transport Model

    E-Print Network [OSTI]

    J. Y. Chen; J. X. Zuo; X. Z. Cai; F. Liu; Y. G. Ma; A. H. Tang

    2009-12-09

    The directed flow of charged hadron and identified particles has been studied in the framework of a multi-phase transport (AMPT) model, for $^{197}$Au+$^{197}$Au collisions at $\\sqrt{s_{NN}}=$200, 130, 62.4, 39, 17.2 and 9.2 GeV. The rapidity, centrality and energy dependence of directed flow for charged particles over a wide rapidity range are presented. AMPT model gives the correct $v_1(y)$ slope, as well as its trend as a function of energy, while it underestimates the magnitude. Within the AMPT model, the proton $v_1$ slope is found to change its sign when the energy increases to 130 GeV - a feature that is consistent with ``anti-flow''. Hadronic re-scattering is found having little effect on $v_1$ at top RHIC energies. These studies can help us to understand the collective dynamics at early times in relativistic heavy-ion collisions, and they can also be served as references for the RHIC Beam Energy Scan program.

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

    SciTech Connect (OSTI)

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

    2010-12-01

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

  18. Regional respiratory tract absorption of inhaled reactive gases

    SciTech Connect (OSTI)

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

    1992-06-29

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

  19. Initial performance of the NEOWISE reactivation mission

    SciTech Connect (OSTI)

    Mainzer, A.; Bauer, J.; Masiero, J.; Eisenhardt, P.; Fabinsky, B.; Heinrichsen, I.; Liu, F. [Jet Propulsion Laboratory, California Institute of Technology, Pasadena, CA 91109 (United States); Cutri, R. M.; Beck, R.; Conrow, T.; Dailey, J.; Fajardo-Acosta, S.; Fowler, J.; Gelino, C.; Grillmair, C.; Kirkpatrick, J. Davy; Masci, F. [Infrared Processing and Analysis Center, California Institute of Technology, Pasadena, CA 91125 (United States); Grav, T. [Planetary Science Institute, Tucson, AZ (United States); Clarkson, P.; Kendall, M., E-mail: amainzer@jpl.nasa.gov [Ball Aerospace and Technology Center, Boulder, CO (United States); and others

    2014-09-01

    NASA's Wide-field Infrared Survey Explorer (WISE) spacecraft has been brought out of hibernation and has resumed surveying the sky at 3.4 and 4.6 ?m. The scientific objectives of the NEOWISE reactivation mission are to detect, track, and characterize near-Earth asteroids and comets. The search for minor planets resumed on 2013 December 23, and the first new near-Earth object (NEO) was discovered 6 days later. As an infrared survey, NEOWISE detects asteroids based on their thermal emission and is equally sensitive to high and low albedo objects; consequently, NEOWISE-discovered NEOs tend to be large and dark. Over the course of its three-year mission, NEOWISE will determine radiometrically derived diameters and albedos for ?2000 NEOs and tens of thousands of Main Belt asteroids. The 32 months of hibernation have had no significant effect on the mission's performance. Image quality, sensitivity, photometric and astrometric accuracy, completeness, and the rate of minor planet detections are all essentially unchanged from the prime mission's post-cryogenic phase.

  20. Assessment of the Economic Potential of Microgrids for Reactive Power Supply

    E-Print Network [OSTI]

    Appen, Jan von

    2012-01-01

    of Commercial Building Microgrids,” IEEE Transactions onEconomic Potential of Microgrids for Reactive Power Supplyof creating an incentive for microgrids to provide reactive

  1. Effect of shape reactivity on the rod-ejection accident

    SciTech Connect (OSTI)

    Neogy, P.; Carew, J.F.

    1982-09-01

    The shape reactivity has a significant influence on the rod ejection accident. After the control rod is fully ejected from the core, the neutron flux undergoes a large reduction at the ejected rod location. The corresponding effect on the control reactivity is comparable in magnitude to the Doppler reactivity, and makes a significant contribution to limiting the power excursion during the transient. The neglect of this effect in point kinetics and space time synthesis analyses of the rod ejection accident may account in part for the large degree of conservatism usually associated with these analyses.

  2. X-Ray Evidence for Multiphase Hot Gas with Nearly Solar Fe Abundances in the Brightest Groups of Galaxies

    E-Print Network [OSTI]

    David A. Buote

    1999-08-27

    We analyze the ASCA spectra accumulated within ~100 kpc radii of 12 of the brightest groups of galaxies. Upon fitting isothermal models (1T) jointly to the ASCA SIS and GIS spectra we obtain fits for most groups that are of poor or at best marginal quality and give very sub-solar metallicities similar to previous studies, = 0.29 +/- 0.12 Z_sun. Two-temperature models (2T) provide significantly better fits for 11 out of the 12 groups and in every case have metallicities that are substantially larger than obtained for the 1T models, = 0.75 +/- 0.24 Z_sun. Although not very well constrained, for most of the groups absorption in excess of the Galactic value is indicated for the cooler temperature component of the 2T models. A simple multiphase cooling flow model gives results analogous to the 2T models including large metallicities, = 0.65 +/- 0.17 Z_sun. The nearly solar Fe abundances and also solar alpha/Fe ratios indicated by the 2T and cooling flow models are consistent with models of the chemical enrichment of ellipticals, groups, and clusters which assume ratios of Type Ia to Type II supernova and an IMF similar to those of the Milky Way. Thus, we have shown that the very sub-solar Fe abundances and Si/Fe enhancements obtained from most previous studies within r ~100 kpc of galaxy groups are an artifact of their fitting isothermal models to the X-ray spectra which also has been recently demonstrated for the brightest elliptical galaxies. Owing to the importance of these results for interpreting X-ray spectra, in an appendix we use simulated ASCA observations to examine in detail the ``Fe bias'' and ``Si bias'' associated with the spectral fitting of ellipticals, groups, and clusters of galaxies.

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

    SciTech Connect (OSTI)

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

    2014-06-01

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

  4. Enhanced durability and reactivity for zinc ferrite desulfurization sorbent

    SciTech Connect (OSTI)

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

    1987-10-27

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

  5. Reactive Oxygen Species Driven Angiogenesis by Inorganic Nanorods

    E-Print Network [OSTI]

    Patra, Chitta Ranjan

    The exact mechanism of angiogenesis by europium hydroxide nanorods was unclear. In this study we have showed that formation of reactive oxygen species (H2O2 and O2·?) is involved in redox signaling pathways during angiogenesis, ...

  6. Reactivity of ethylene oxide in contact with contaminants 

    E-Print Network [OSTI]

    Dinh, Linh Thi Thuy

    2009-05-15

    , such as isomerization, polymerization, hydrolysis, combustion and decomposition Due to its very reactive characteristic and widely industrial applications, EO has been involved in a number of serious incidents such as Doe Run 1962, Freeport 1974, Deer Park 1988...

  7. Towards Interactive Timing Analysis for Designing Reactive Systems

    E-Print Network [OSTI]

    : Medium: Timing Centric Software), and #0931843 (ActionWebs), the Naval Research Laboratory (NRL #N0013- action Time, Synchronous Languages, Precision Timed Machines, Sequential Constructiveness 1 Introduction reactive systems. Such systems typically interact with the physical environment by sensing, performing

  8. Conversion of carboxylate salts to carboxylic acids via reactive distillation 

    E-Print Network [OSTI]

    Williamson, Shelly Ann

    2000-01-01

    , municipal solid wastes, sewage sludge, and industrial biosludge. Using a proprietary technology owned by Texas A&M University the wastes are first treated with lime to enhance reactivity. Then they are converted to calcium carboxylate salts using a mixed...

  9. Highly reactive light-dependent monoterpenes in the Amazon

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

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

    2015-03-06

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

  10. Towards Synthesis of Reactive & Robust Behavior Chains Amol D. Mali

    E-Print Network [OSTI]

    Mali, Amol D.

    Towards Synthesis of Reactive & Robust Behavior Chains Amol D. Mali Electrical Engg. & Computer Science, P.O.Box 784 University of Wisconsin, Milwaukee, Milwaukee, WI 53201, USA. e-mail: mali

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

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

    in a Light-Duty Engine CFD modeling was used to compare conventional diesel and dual-fuel Reactivity Controlled Compression Ignition combustion at US Tier 2 Bin 5 NOx...

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

    SciTech Connect (OSTI)

    Splitter, Derek A [ORNL; Reitz, Rolf [University of Wisconsin

    2014-01-01

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

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

    SciTech Connect (OSTI)

    Day, Tristan W.; Brown, David R.; Snyder, G. Jeffrey, E-mail: jsnyder@caltech.edu [Department of Materials Science, California Institute of Technology, MC 309-81, Pasadena, California 91106 (United States); Zeier, Wolfgang G. [Department of Materials Science, California Institute of Technology, MC 309-81, Pasadena, California 91106 (United States); Department of Chemistry, University of Southern California, Seeley G. Mudd Bldg., 3620 McClintock Ave., Los Angeles, California 90089-1062 (United States); Melot, Brent C. [Department of Chemistry, University of Southern California, Seeley G. Mudd Bldg., 3620 McClintock Ave., Los Angeles, California 90089-1062 (United States)

    2014-10-27

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

  14. Study on multiphase flow and mixing in semidry flue gas desulfurization with a multifluid alkaline spray generator using particle image velocimetry

    SciTech Connect (OSTI)

    Zhou, Y.G.; Wang, D.F.; Zhang, M.C. [Shanghai Jiao Tong University, Shanghai (China)

    2009-06-15

    Particle image velocimetry (PIV) technique was used to measure the velocity fields of gas-droplet-solid multiphase flow in the experimental setup of a novel semidry flue gas desulfurization process with a multifluid alkaline spray generator. The flow structure, mixing characteristic, and interphase interaction of gas-droplet-solid multiphase flow were investigated both in the confined alkaline spray generator and in the duct bent pipe section. The results show that sorbent particles in the confined alkaline spray generator are entrained into the spray core zone by a high-speed spray jet and most of the sorbent particles can be effectively humidified by spray water fine droplets to form aqueous lime slurry droplets. Moreover, a minimum amount of air stream in the generator is necessary to achieve higher collision humidification efficiency between sorbent particles and spray water droplets and to prevent the possible deposition of fine droplets on the wall. The appropriate penetration length of the slurry droplets from the generator can make uniform mixing between the formed slurry droplets and main air stream in the duct bent pipe section, which is beneficial to improving sulfur dioxide removal efficiency and to preventing the deposition of droplets on the wall.

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

    SciTech Connect (OSTI)

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

    2010-09-01

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

  16. Please cite as: P. W. Dondl, K. Hormann, and J. Zimmer. Modeling transformation paths of multiphase materials: The triple point of zirconia. Physical Review B, 79(10):104114, March 2009.

    E-Print Network [OSTI]

    Hormann, Kai

    materials: The triple point of zirconia. Physical Review B, 79(10):104114, March 2009. Modelling transformation paths of multiphase materials: The triple point of zirconia Patrick W. Dondl Max. The method is applied to the triple point of zirconia, where tetragonal, orthorhombic (ortho

  17. Multiphase flows are an important part of many natural and technological phenomena such as ocean-air coupling (which is important for climate modeling) and the atomization of liquid fuel jets in combustion engines. The unique

    E-Print Network [OSTI]

    -air coupling (which is important for climate modeling) and the atomization of liquid fuel jets in combustion engines. The unique challenges of multiphase flow often make analytical solutions to the governing's very large parallel computational architectures. Aerospace Engineering Doctoral Defense Numerical

  18. Options for Control of Reactive Power by Distributed Photovoltaic Generators

    E-Print Network [OSTI]

    Sulc, Petr; Backhaus, Scott; Chertkov, Michael

    2010-01-01

    High penetration levels of distributed photovoltaic(PV) generation on an electrical distribution circuit present several challenges and opportunities for distribution utilities. Rapidly varying irradiance conditions may cause voltage sags and swells that cannot be compensated by slowly responding utility equipment resulting in a degradation of power quality. Although not permitted under current standards for interconnection of distributed generation, fast-reacting, VAR-capable PV inverters may provide the necessary reactive power injection or consumption to maintain voltage regulation under difficult transient conditions. As side benefit, the control of reactive power injection at each PV inverter provides an opportunity and a new tool for distribution utilities to optimize the performance of distribution circuits, e.g. by minimizing thermal losses. We discuss and compare via simulation various design options for control systems to manage the reactive power generated by these inverters. An important design de...

  19. Effect of superbanana diffusion on fusion reactivity in stellarators

    SciTech Connect (OSTI)

    Hinton, Fred L. [Center for Astrophysics and Space Sciences, University of California, San Diego, La Jolla, California 92093-0424 (United States)

    2012-08-15

    Fusion reactivity is usually obtained using a Maxwellian distribution. However, energy-dependent radial diffusion can modify the energy distribution. Superbanana diffusion is energy-dependent and occurs in nonaxisymmetric magnetic confinement devices, such as stellarators, because of ripple-trapped particles which can take large steps between collisions. In this paper, the D-T fusion reactivity is calculated using a non-Maxwellian energy distribution obtained by solving the Fokker-Planck equation numerically, including radial superbanana diffusion as well as energy scattering. The ions in the tail of the distribution, with energies larger than thermal, which are most needed for fusion, are depleted by superbanana diffusion. In this paper, it is shown that the D-T fusion reactivity is reduced by tail ion depletion due to superbanana diffusion, by roughly a factor of 0.5 for the parameters used in the calculation.

  20. Method and apparatus for measuring reactivity of fissile material

    DOE Patents [OSTI]

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

    1982-09-07

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

  1. Enhanced durability and reactivity for zinc ferrite desulfurization sorbent

    SciTech Connect (OSTI)

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

    1989-05-02

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

  2. Enhanced durability and reactivity for zinc ferrite desulfurization sorbent

    SciTech Connect (OSTI)

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

    1988-11-14

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

  3. Enhanced durability and reactivity for zinc ferrite desulfurization sorbent

    SciTech Connect (OSTI)

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

    1989-03-06

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

  4. Enhanced durability and reactivity for zinc ferrite desulfurization sorbent

    SciTech Connect (OSTI)

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

    1988-08-19

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

  5. Enhanced durability and reactivity for zinc ferrite desulfurization sorbent

    SciTech Connect (OSTI)

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

    1987-05-18

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

  6. Enhanced durability and reactivity for zinc ferrite desulfurization sorbent

    SciTech Connect (OSTI)

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

    1987-08-28

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

  7. Increasing Class C fly ash reduces alkali silica reactivity

    SciTech Connect (OSTI)

    Hicks, J.K.

    2007-07-01

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

  8. The relative reactivity of formic esters with aromatic amines

    E-Print Network [OSTI]

    Markley, Max C.

    1922-01-01

    at 100° are as follows- Ester used Percent yield Methyl formate ' 3% Ethyl M 81 Propyl " 92 Butyl " 80 Sec,octyl n 10 ( 15 ) PROPYL P OREATE W ITH SEVERAL A MINES The next move was to secure data on the relative reactivity of the amines... at 100° are as follows- Ester used Percent yield Methyl formate ' 3% Ethyl M 81 Propyl " 92 Butyl " 80 Sec,octyl n 10 ( 15 ) PROPYL P OREATE W ITH SEVERAL A MINES The next move was to secure data on the relative reactivity of the amines...

  9. Melting Alpine Glaciers Enrich High-Elevation Lakes with Reactive

    E-Print Network [OSTI]

    Wolfe, Alexander P.

    melt alone (SF lakes) and those fed by both glacial and snowpack meltwaters (GSF lakes). We foundMelting Alpine Glaciers Enrich High-Elevation Lakes with Reactive Nitrogen J A S M I N E E . S A R century in many regions of the world. Resulting changes in glacial runoff not only affect the hydrological

  10. Towards Energy-Efficient Reactive Thermal Management in Instrumented Datacenters

    E-Print Network [OSTI]

    Pompili, Dario

    Towards Energy-Efficient Reactive Thermal Management in Instrumented Datacenters Ivan Rodero, Eun techniques used to alleviate thermal anomalies (i.e., hotspots) in cloud datacenter's servers of by reducing such as voltage scaling that also can be applied to reduce the temperature of the servers in datacenters. Because

  11. Reactive Power Compensation Technologies, State-of-the-Art Review

    E-Print Network [OSTI]

    Catholic University of Chile (Universidad Católica de Chile)

    is generally required to reduce voltage fluctuation at a given terminal of a transmission line. Reactive power electrical characteristics of ac power systems. Series compensation modifies the transmission or distribution at all levels of power transmission, it improves HVDC (High Voltage Direct Current) conversion terminal

  12. Neutron economic reactivity control system for light water reactors

    DOE Patents [OSTI]

    Luce, Robert G. (Glenville, NY); McCoy, Daniel F. (Latham, NY); Merriman, Floyd C. (Rotterdam, NY); Gregurech, Steve (Scotia, NY)

    1989-01-01

    A neutron reactivity control system for a LWBR incorporating a stationary seed-blanket core arrangement. The core arrangement includes a plurality of contiguous hexagonal shaped regions. Each region has a central and a peripheral blanket area juxapositioned an annular seed area. The blanket areas contain thoria fuel rods while the annular seed area includes seed fuel rods and movable thoria shim control rods.

  13. Fe(III) Oxide Reactivity Toward Biological versus Chemical

    E-Print Network [OSTI]

    Roden, Eric E.

    size, surface area, and solubility of the mineral. Such variations lead to a continuum of Fe(III) oxideFe(III) Oxide Reactivity Toward Biological versus Chemical Reduction E R I C E . R O D E N of synthetic Fe(III) oxides with a broad range of crystallinity and specific surface area were examined

  14. Nutritional regulation of neural stem cell reactivation in Drosophila melanogaster

    E-Print Network [OSTI]

    Liu, Jun

    2015-06-09

    to proliferation in both systems (Groszer et al. , 2001, 2006; Peltier et al. , 2007). Exploiting powerful genetic tools that are available in Drosophila led to the recent dis- covery that NSCs reactivate via a fat body and glial cell relay (Figure 1...

  15. Local control of reactive power by distributed photovoltaic generators

    SciTech Connect (OSTI)

    Chertkov, Michael; Turitsyn, Konstantin; Sulc, Petr; Backhaus, Scott

    2010-01-01

    High penetration levels of distributed photovoltaic (PV) generation on an electrical distribution circuit may severely degrade power quality due to voltage sags and swells caused by rapidly varying PV generation during cloud transients coupled with the slow response of existing utility compensation and regulation equipment. Although not permitted under current standards for interconnection of distributed generation, fast-reacting, VAR-capable PV inverters may provide the necessary reactive power injection or consumption to maintain voltage regulation under difficult transient conditions. As side benefit, the control of reactive power injection at each PV inverter provides an opportunity and a new tool for distribution utilities to optimize the performance of distribution circuits, e.g. by minimizing thermal losses. We suggest a local control scheme that dispatches reactive power from each PV inverter based on local instantaneous measurements of the real and reactive components of the consumed power and the real power generated by the PVs. Using one adjustable parameter per circuit, we balance the requirements on power quality and desire to minimize thermal losses. Numerical analysis of two exemplary systems, with comparable total PV generation albeit a different spatial distribution, show how to adjust the optimization parameter depending on the goal. Overall, this local scheme shows excellent performance; it's capable of guaranteeing acceptable power quality and achieving significant saving in thermal losses in various situations even when the renewable generation in excess of the circuit own load, i.e. feeding power back to the higher-level system.

  16. Neural reactivation links unconscious thought to decision-making performance

    E-Print Network [OSTI]

    Creswell, J. David

    Neural reactivation links unconscious thought to decision-making performance John David Creswell,1 of Psychology, Northeastern University, 360 Huntington Ave, Boston, MA 02115, USA Brief periods of unconscious-making performance after the UT period. These results provide initial evidence for post-encoding unconscious neural

  17. On-Road Emission Measurements of Reactive Nitrogen Compounds from

    E-Print Network [OSTI]

    Denver, University of

    - equippedvehiclesarenotbelievedtobesignificant(1).Oxides of nitrogen (NOx) emission rates from light-duty gasoline vehicles have been shown to be rapidly decreasing across the United States, but total NOx emissions are decreasing at a slower rate dueOn-Road Emission Measurements of Reactive Nitrogen Compounds from Three California Cities G A R Y

  18. Photochemical Reactivity of Graphene Haitao Liu, Sunmin Ryu,

    E-Print Network [OSTI]

    semiconductor. A recent study showed that photoge- nerated carriers in graphene first equilibrate amongPhotochemical Reactivity of Graphene Haitao Liu, Sunmin Ryu, Zheyuan Chen, Michael L. Steigerwald a photochemical reaction between graphene and benzoyl peroxide. The reaction introduces spatially localized

  19. EULERIANLAGRANGIAN LOCALIZED ADJOINT METHODS FOR REACTIVE TRANSPORT IN GROUNDWATER \\Lambda

    E-Print Network [OSTI]

    Ewing, Richard E.

    EULERIAN­LAGRANGIAN LOCALIZED ADJOINT METHODS FOR REACTIVE TRANSPORT IN GROUNDWATER \\Lambda RICHARD in groundwater flowing through an adsorbing porous medium. These ELLAM schemes are developed for various and discussed. x1. Introduction. In recent years, the contamination and pollution of groundwater resources have

  20. Dynamic Reactive Power Control of Isolated Power Systems 

    E-Print Network [OSTI]

    Falahi, Milad

    2012-10-03

    or due to a fault. Isolated power systems experience fast transients due to lack of an infinite bus capable of dictating the voltage and frequency reference. This dissertation only focuses on reactive control of islanded MicroGrids and AC/DC shipboard...

  1. Supporting Information Reactive processing of formaldehyde and acetaldehyde in aqueous

    E-Print Network [OSTI]

    Meskhidze, Nicholas

    S1 Supporting Information Reactive processing of formaldehyde and acetaldehyde in aqueous aerosol: Acetaldehyde; Form: Formaldehyde #12;S2 Density functional theory calculations of paraformaldehyde ionization+ of atomized solutions of 1 M formaldehyde in 3.1 M AS. m/z (amu) ± 1.0 amu Ion Formula Molecular Formula

  2. Field, Laboratory, and Modeling Study of Reactive Transport of

    E-Print Network [OSTI]

    University of New York, Flushing, New York 11367, Department of Marine Chemistry and Geochemistry, Woods Hole Bay, MA, shed light on coupled control of chemistry and hydrology on reactive transport), phosphate (5), and oxyanions of molybdenum (6) and uranium (7, 8) in aquifers. In addition

  3. Reactive Stochastic Local Search Algorithms for the Genomic Median Problem

    E-Print Network [OSTI]

    Wolf, Christian

    Reactive Stochastic Local Search Algorithms for the Genomic Median Problem Renaud Lenne1 5558, Universit´e de Lyon 1, France eric.tannier@inria.fr Abstract. The genomic median problem of the common ancestor to multiple living species. It is formulated as the search for a genome that minimizes

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

    SciTech Connect (OSTI)

    Sarkar, Avik; Sun, Xin; Sundaresan, Sankaran

    2012-12-01

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

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

    DOE Patents [OSTI]

    Ortiz, Marcos German (Idaho Falls, ID); Boucher, Timothy J. (Helena, MT)

    1998-01-01

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

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

    DOE Patents [OSTI]

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

    1998-10-27

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

  7. Enhanced durability and reactivity for zinc ferrite desulfurization sorbent

    SciTech Connect (OSTI)

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

    1989-10-01

    AMAX Research Development Center (AMAX R D) investigated methods for enhancing the reactivity and durability of zinc ferrite desulfurization sorbents. Zinc ferrite sorbents are intended for use in desulfurization of hot coal gas in integrated gasification combined cycle (IGCC) or molten carbonate fuel cell (MCFC) applications. For this program, the reactivity of the sorbent may be defined as its sulfur sorption capacity at the breakthrough point and at saturation in a bench-scale, fixed-bed reactor. Durability may be defined as the ability of the sorbent to maintain important physical characteristics such as size, strength, and specific surface area during 10 cycles of sulfidation and oxidation. Two base case sorbents, a spherical pellet and a cylindrical extrude used in related METC-sponsored projects, were used to provide a basis for the aimed enhancement in durability and reactivity. Sorbent performance was judged on the basis of physical properties, single particle kinetic studies based on thermogravimetric (TGA) techniques, and multicycle bench-scale testing of sorbents. A sorbent grading system was utilized to quantify the characteristics of the new sorbents prepared during the program. Significant enhancements in both reactivity and durability were achieved for the spherical pellet shape over the base case formulation. Overall improvements to reactivity and durability were also made to the cylindrical extrude shape. The primary variables which were investigated during the program included iron oxide type, zinc oxide:iron oxide ratio, inorganic binder concentration, organic binder concentration, and induration conditions. The effects of some variables were small or inconclusive. Based on TGA studies and bench-scale tests, induration conditions were found to be very significant.

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

    SciTech Connect (OSTI)

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

    2014-04-01

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

  9. A Two-level Prediction Model for Deep Reactive Ion Etch (DRIE)

    E-Print Network [OSTI]

    Taylor, Hayden K.

    We contribute a quantitative and systematic model to capture etch non-uniformity in deep reactive ion etch of microelectromechanical systems (MEMS) devices. Deep reactive ion etch is commonly used in MEMS fabrication where ...

  10. Pollution-enhanced reactive chlorine chemistry in the eastern tropical Atlantic boundary layer

    E-Print Network [OSTI]

    2009-01-01

    doi:10.1029/2008GL036666, 2009 Pollution-enhanced reactiveE. S. Saltzman (2009), Pollution-enhanced reactive chlorine5 L08810 LAWLER ET AL. : POLLUTION-ENHANCED CLX IN THE MBL

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

    Office of Scientific and Technical Information (OSTI)

    A Reactive Force Field study of LiC Systems for Electrical Energy Storage Citation Details In-Document Search Title: A Reactive Force Field study of LiC Systems for Electrical...

  12. Reactive greenhouse gas scenarios: Systematic exploration of uncertainties and the role of atmospheric chemistry

    E-Print Network [OSTI]

    Holmes, Christopher D.

    Reactive greenhouse gas scenarios: Systematic exploration of uncertainties and the role chemistry of reactive greenhouse gases is needed to accurately quantify the relationship between human activities and climate, and to incorporate uncertainty in our projections of greenhouse gas abundances. We

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

    Broader source: Energy.gov [DOE]

    This study uses numerical simulations to explore the use of wet ethanol as the low-reactivity fuel and diesel as the high-reactivity fuel for RCCI operation in a heavy-duty diesel engine.

  14. NOTES ON THE KIVA-II SOFTWARE AND CHEMICALLY REACTIVE FLUID MECHANICS

    E-Print Network [OSTI]

    Holst, Michael J.

    NOTES ON THE KIVA-II SOFTWARE AND CHEMICALLY REACTIVE FLUID MECHANICS MICHAEL J. HOLST Numerical, California #12;NOTES ON THE KIVA-II SOFTWARE AND CHEMICALLY REACTIVE FLUID MECHANICS Michael J. Holst intro- duction to continuum mechanics, to fluid mechanics, and to the mechanics of chemically reactive

  15. Selective Monoterpene-like Cyclization Reactions Achieved by Water Exclusion from Reactive Intermediates in a Supramolecular Catalyst

    E-Print Network [OSTI]

    Hart-Cooper, William

    2014-01-01

    9  has  been  observed when water is absent.   (31)  For the  exclusion  of  water  from  reactive  intermediates Reactions Achieved by Water Exclusion from Reactive

  16. Catalytic destruction of groundwater contaminants in reactive extraction wells

    DOE Patents [OSTI]

    McNab, Jr., Walt W. (Concord, CA); Reinhard, Martin (Stanford, CA)

    2002-01-01

    A system for remediating groundwater contaminated with halogenated solvents, certain metals and other inorganic species based on catalytic reduction reactions within reactive well bores. The groundwater treatment uses dissolved hydrogen as a reducing agent in the presence of a metal catalyst, such a palladium, to reduce halogenated solvents (as well as other substituted organic compounds) to harmless species (e.g., ethane or methane) and immobilize certain metals to low valence states. The reactive wells function by removing water from a contaminated water-bearing zone, treating contaminants with a well bore using catalytic reduction, and then reinjecting the treated effluent into an adjacent water-bearing zone. This system offers the advantages of a compact design with a minimal surface footprint (surface facilities) and the destruction of a broad suite of contaminants without generating secondary waste streams.

  17. Solid polymer battery electrolyte and reactive metal-water battery

    DOE Patents [OSTI]

    Harrup, Mason K. (Idaho Falls, ID); Peterson, Eric S. (Idaho Falls, ID); Stewart, Frederick F. (Idaho Falls, ID)

    2000-01-01

    In one implementation, a reactive metal-water battery includes an anode comprising a metal in atomic or alloy form selected from the group consisting of periodic table Group 1A metals, periodic table Group 2A metals and mixtures thereof. The battery includes a cathode comprising water. Such also includes a solid polymer electrolyte comprising a polyphosphazene comprising ligands bonded with a phosphazene polymer backbone. The ligands comprise an aromatic ring containing hydrophobic portion and a metal ion carrier portion. The metal ion carrier portion is bonded at one location with the polymer backbone and at another location with the aromatic ring containing hydrophobic portion. The invention also contemplates such solid polymer electrolytes use in reactive metal/water batteries, and in any other battery.

  18. Engine combustion control at low loads via fuel reactivity stratification

    DOE Patents [OSTI]

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

    2014-10-07

    A compression ignition (diesel) engine uses two or more fuel charges during a combustion cycle, with the fuel charges having two or more reactivities (e.g., different cetane numbers), in order to control the timing and duration of combustion. By appropriately choosing the reactivities of the charges, their relative amounts, and their timing, combustion can be tailored to achieve optimal power output (and thus fuel efficiency), at controlled temperatures (and thus controlled NOx), and with controlled equivalence ratios (and thus controlled soot). At low load and no load (idling) conditions, the aforementioned results are attained by restricting airflow to the combustion chamber during the intake stroke (as by throttling the incoming air at or prior to the combustion chamber's intake port) so that the cylinder air pressure is below ambient pressure at the start of the compression stroke.

  19. An Inherited Heteroplasmic Mutation in Mitochondrial Gene COI in a Patient with Prostate Cancer Alters Reactive Oxygen, Reactive Nitrogen and Proliferation

    E-Print Network [OSTI]

    2013-01-01

    reactive nitrogen species (RNS). 2. Materials and MethodsAssay for ROS and RNS. Peroxides Assay: Lymphoblasts werebelow (“Cybrid ROS and RNS”). 3.4. Cybrid Generation. In

  20. Reactive Distillation for Esterification of Bio-based Organic Acids

    SciTech Connect (OSTI)

    Fields, Nathan; Miller, Dennis J.; Asthana, Navinchandra S.; Kolah, Aspi K.; Vu, Dung; Lira, Carl T.

    2008-09-23

    The following is the final report of the three year research program to convert organic acids to their ethyl esters using reactive distillation. This report details the complete technical activities of research completed at Michigan State University for the period of October 1, 2003 to September 30, 2006, covering both reactive distillation research and development and the underlying thermodynamic and kinetic data required for successful and rigorous design of reactive distillation esterification processes. Specifically, this project has led to the development of economical, technically viable processes for ethyl lactate, triethyl citrate and diethyl succinate production, and on a larger scale has added to the overall body of knowledge on applying fermentation based organic acids as platform chemicals in the emerging biorefinery. Organic acid esters constitute an attractive class of biorenewable chemicals that are made from corn or other renewable biomass carbohydrate feedstocks and replace analogous petroleum-based compounds, thus lessening U.S. dependence on foreign petroleum and enhancing overall biorefinery viability through production of value-added chemicals in parallel with biofuels production. Further, many of these ester products are candidates for fuel (particularly biodiesel) components, and thus will serve dual roles as both industrial chemicals and fuel enhancers in the emerging bioeconomy. The technical report from MSU is organized around the ethyl esters of four important biorenewables-based acids: lactic acid, citric acid, succinic acid, and propionic acid. Literature background on esterification and reactive distillation has been provided in Section One. Work on lactic acid is covered in Sections Two through Five, citric acid esterification in Sections Six and Seven, succinic acid in Section Eight, and propionic acid in Section Nine. Section Ten covers modeling of ester and organic acid vapor pressure properties using the SPEAD (Step Potential Equilibrium and Dynamics) method.

  1. Point kinetics calculations with fully coupled thermal fluids reactivity feedback

    SciTech Connect (OSTI)

    Zhang, H.; Zou, L.; Andrs, D.; Zhao, H.; Martineau, R.

    2013-07-01

    The point kinetics model has been widely used in the analysis of the transient behavior of a nuclear reactor. In the traditional nuclear reactor system safety analysis codes such as RELAP5, the reactivity feedback effects are calculated in a loosely coupled fashion through operator splitting approach. This paper discusses the point kinetics calculations with the fully coupled thermal fluids and fuel temperature feedback implemented into the RELAP-7 code currently being developed with the MOOSE framework. (authors)

  2. Options for Control of Reactive Power by Distributed Photovoltaic Generators

    E-Print Network [OSTI]

    Petr Sulc; Konstantin Turitsyn; Scott Backhaus; Michael Chertkov

    2010-08-04

    High penetration levels of distributed photovoltaic(PV) generation on an electrical distribution circuit present several challenges and opportunities for distribution utilities. Rapidly varying irradiance conditions may cause voltage sags and swells that cannot be compensated by slowly responding utility equipment resulting in a degradation of power quality. Although not permitted under current standards for interconnection of distributed generation, fast-reacting, VAR-capable PV inverters may provide the necessary reactive power injection or consumption to maintain voltage regulation under difficult transient conditions. As side benefit, the control of reactive power injection at each PV inverter provides an opportunity and a new tool for distribution utilities to optimize the performance of distribution circuits, e.g. by minimizing thermal losses. We discuss and compare via simulation various design options for control systems to manage the reactive power generated by these inverters. An important design decision that weighs on the speed and quality of communication required is whether the control should be centralized or distributed (i.e. local). In general, we find that local control schemes are capable for maintaining voltage within acceptable bounds. We consider the benefits of choosing different local variables on which to control and how the control system can be continuously tuned between robust voltage control, suitable for daytime operation when circuit conditions can change rapidly, and loss minimization better suited for nighttime operation.

  3. Reactivity transients during a blowdown in a MSIV closure ATWS

    SciTech Connect (OSTI)

    Cheng, H.S.; Diamond, D.J. (Brookhaven National Lab., Upton, NY (USA))

    1988-01-01

    Anticipated transients without scram (ATWS) events have received considerable attention in the past and are still a subject of great interest in severe-accident analysis. Of special interest is the effect of the low-pressure emergency core cooling system (ECCS) on the plant response following a blowdown by the automatic depressurization system (ADS). There is a potential for positive reactivity insertion due to the cold water injection of the low-pressure coolant injection (LPCI) system and the low-pressure core spray system in a boiling water reactor (BWR)/4. The main concern is whether a power excursion and pressure oscillation can occur in such an event. Furthermore, since thermal-hydraulic feedback plays an important role in these accidents, the uncertainty of the reactivity feedback coefficients used can impact the outcome of the analysis for such a power excursion. The objectives of the work reported in this paper are to study the consequences of the reactivity transients during a blowdown in an ATWS event with closure of the main steam isolation valves (MSIVs) and to evaluate the effect of the LPCI system and the sensitivity of plant response to the feedback coefficients. This work was performed with the Brookhaven National Laboratory plant analyzer.

  4. Gas-solid carbonation of Ca(OH)2 and CaO particles under non-isothermal and isothermal conditions by using a thermogravimetric analyzer

    E-Print Network [OSTI]

    Boyer, Edmond

    by using a thermogravimetric analyzer: Implications for CO2 capture G. Montes-Hernandeza, *, R. Chiriacb-solid carbonation of alkaline sorbents has been actively investigated as an alternative method to CO2 capture from industrial combustion sources and CO2 contained in the air. This study has a two-fold objective: firstly

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

    SciTech Connect (OSTI)

    Wishart, J.F.

    2011-06-12

    Ionic liquids (ILs) are a rapidly expanding family of condensed-phase media with important applications in energy production, nuclear fuel and waste processing, improving the efficiency and safety of industrial chemical processes, and pollution prevention. ILs generally have low volatilities and are combustion-resistant, highly conductive, recyclable and capable of dissolving a wide variety of materials. They are finding new uses in chemical synthesis, catalysis, separations chemistry, electrochemistry and other areas. Ionic liquids have dramatically different properties compared to conventional molecular solvents, and they provide a new and unusual environment to test our theoretical understanding of primary radiation chemistry, charge transfer and other reactions. We are interested in how IL properties influence physical and dynamical processes that determine the stability and lifetimes of reactive intermediates and thereby affect the courses of reactions and product distributions. We study these issues by characterization of primary radiolysis products and measurements of their yields and reactivity, quantification of electron solvation dynamics and scavenging of electrons in different states of solvation. From this knowledge we wish to learn how to predict radiolytic mechanisms and control them or mitigate their effects on the properties of materials used in nuclear fuel processing, for example, and to apply IL radiation chemistry to answer questions about general chemical reactivity in ionic liquids that will aid in the development of applications listed above. Very early in our radiolysis studies it became evident that the slow solvation dynamics of the excess electron in ILs (which vary over a wide viscosity range) increase the importance of pre-solvated electron reactivity and consequently alter product distributions and subsequent chemistry. This difference from conventional solvents has profound effects on predicting and controlling radiolytic yields, which need to be quantified for the successful use under radiolytic conditions. Electron solvation dynamics in ILs are measured directly when possible and estimated using proxies (e.g. coumarin-153 dynamic emission Stokes shifts or benzophenone anion solvation) in other cases. Electron reactivity is measured using ultrafast kinetics techniques for comparison with the solvation process.

  6. Wet oxidation of high-concentration reactive dyes

    SciTech Connect (OSTI)

    Chen, G.; Lei, L.; Yue, P.L.

    1999-05-01

    Advanced oxidation methods were used to degrade reactive dyes at high concentrations in aqueous solutions. Wet peroxide oxidation (WPO) was found to be the best method in terms of the removal of color and total organic carbon (TOC). Reactive blue (Basilen Brilliant Blue P-3R) was chosen as a model dye for determining the suitable reaction conditions. The variables studied include reaction temperature, H{sub 2}O{sub 2} dosage, solution pH, dye concentration, and catalyst usage. The removal of TOC and color by wet oxidation is very sensitive to the reaction temperature. At 150 C, the removal of 77% TOC and 90% color was obtained in less than 30 min. The initial TOC removal rate is proportional to the H{sub 2}O{sub 2} dosage. The TOC removal is insignificant even when 50% of the stoichiometric amount of H{sub 2}O{sub 2} is used. No color change is observed until the dosage of H{sub 2}O{sub 2} is 100% of the stoichiometric amount. The color removal is closely related to TOC removal. When the pH of the solution is adjusted to 3.5, the dye degradation rate increases significantly. The rates of TOC and color removal are enhanced by using a Cu{sup 2+} catalyst. Another four reactive dyes, Procion Red PX-4B, Cibacron Yellow P-6GS, Cibacron Brown P-6R, and Procion Black PX-2R, were treated at 150 C using WPO. More than 80% TOC was removed from the solution in less than 15 min. The process can remove the colors of al these dyes except Procion Black PX-2R.

  7. Reactive multilayer synthesis of hard ceramic foils and films

    DOE Patents [OSTI]

    Makowiecki, Daniel M. (Livermore, CA); Holt, Joseph B. (San Jose, CA)

    1996-01-01

    A method for synthesizing hard ceramic materials such as carbides, borides nd aluminides, particularly in the form of coatings provided on another material so as to improve the wear and abrasion performance of machine tools, for example. The method involves the sputter deposition of alternating layers of reactive metals with layers of carbon, boron, or aluminum and the subsequent reaction of the multilayered structure to produce a dense crystalline ceramic. The material can be coated on a substrate or formed as a foil which can be coild as a tape for later use.

  8. Method for preparing hydride configurations and reactive metal surfaces

    DOE Patents [OSTI]

    Silver, Gary L. (Centerville, OH)

    1988-08-16

    A method for preparing highly hydrogen-reactive surfaces on metals which normally require substantial heating, high pressures, or an extended induction period, which involves pretreatment of said surfaces with either a non-oxidizing acid or hydrogen gas to form a hydrogen-bearing coating on said surfaces, and subsequently heating said coated metal in the absence of moisture and oxygen for a period sufficient to decompose said coating and cooling said metal to room temperature. Surfaces so treated will react almost instantaneously with hydrogen gas at room temperature and low pressure. The method is particularly applicable to uranium, thorium, and lanthanide metals.

  9. Hanford ferrocyanide reactivity: Effects of other tank constituents

    SciTech Connect (OSTI)

    Scheele, R.D.; Burger, L.L.; Tingey, J.M.; Johnston, J.W.; Sell, R.L.

    1993-04-01

    This paper presents results of studies using synthetic chemicals to determine the effect of other potential waste constituents on the reactivity and explosivity of Hanford ferrocyanide wastes. These studies have shown that either individually or in combination some of the tested additives (sodium ethylenediaminetetraacetate and the hydroxide precipitates of iron (III), chromium (III), and nickel] can at a concentration of 0.03 mole/mole ferrocyanide reduce the time to explosion of a near-stoichiometric mixture of sodium nickel ferrocyanide and equimolar sodium nitrate and nitrite. These studies also found no reduction in observed minimum explosion temperature of 293{degrees}C.

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

    Office of Legacy Management (LM)

    AFDC Printable Version Share this resource Send a link to EERE: Alternative Fuels Data Center Home Page to someone by E-mail Share EERE: Alternative Fuels Data Center Home Page on Facebook Tweet about EERE: Alternative Fuels Data Center Home Page on Twitter Bookmark EERE: Alternative Fuels Data Center Homesum_a_epg0_fpd_mmcf_m.xls" ,"Available from WebQuantity of NaturalDukeWakefield Municipal Gas &SCE-SessionsSouth Dakota Edgemont,Manufacturing0-19Rulison - COQueenReactive

  11. Effectiveness of organoclays as compatibilizers for multiphase polymer blends – A sustainable route for the mechanical recycling of co-mingled plastics

    SciTech Connect (OSTI)

    Causa, Andrea; Acierno, Domenico; Filippone, Giovanni [Dipartimento di Ingegneria Chimica, dei Materiali e della Produzione Industriale, Università di Napoli Federico II, Piazzale V. Tecchio, 80, 80125 Napoli (Italy); Mistretta, Maria Chiara [Dipartimento di Ingegneria Civile, Ambientale, Aerospaziale, dei Materiali, Università di Palermo, Viale delle Scienze, ed. 6, 90128 Palermo (Italy)

    2014-05-15

    We prepare and characterize multiphase systems in which small amounts of recycled polymer, namely polyethylene terephtalate (PET) ground from waste bottles, are dispersed in a co-continuous blend of high-density polyethylene (HDPE) and polypropylene (PP). Some of such ternary systems are also filled with plate-like clay nanoparticles with different polarities, in order to assess their influence on the morphology and mechanical behaviour of the blends. On the basis of preliminary wettability considerations and inspections by means of scanning electron microscopy (SEM), the PET is found to preferentially locate within the PP phase. Such a positioning is desirable in order to minimize the presence of multiple interfaces, which is one of the major issues in the recycling process of co-mingles plastics. By means of SEM, dynamic-mechanical analysis and tensile tests we show that the addition of a filler with low polarity, which locates at the PET-matrix interface, has relevant implications on the structure and properties of the ternary systems, refining their morphology at the micro-scale and enhancing their high-temperature mechanical behaviour.

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

    DOE Patents [OSTI]

    Miller, John V. (Munhall, PA); Carlson, William R. (Scott Township, Allegheny County, PA); Yarbrough, Michael B. (Hempfield Township, Westmoreland County, PA)

    1991-01-01

    Hybrid nuclear reactor grey rods are described, wherein geometric combinations of relatively weak neutron absorber materials such as stainless steel, zirconium or INCONEL, and relatively strong neutron absorber materials, such as hafnium, silver-indium cadmium and boron carbide, are used to obtain the reactivity worths required to reach zero boron change load follow. One embodiment includes a grey rod which has combinations of weak and strong neutron absorber pellets in a stainless steel cladding. The respective pellets can be of differing heights. A second embodiment includes a grey rod with a relatively thick stainless steel cladding receiving relatively strong neutron absorber pellets only. A third embodiment includes annular relatively weak netron absorber pellets with a smaller diameter pellet of relatively strong absorber material contained within the aperture of each relatively weak absorber pellet. The fourth embodiment includes pellets made of a homogeneous alloy of hafnium and a relatively weak absorber material, with the percentage of hafnium chosen to obtain the desired reactivity worth.

  13. Composite Materials for Hazard Mitigation of Reactive Metal Hydrides.

    SciTech Connect (OSTI)

    Pratt, Joseph William; Cordaro, Joseph Gabriel; Sartor, George B.; Dedrick, Daniel E.; Reeder, Craig L.

    2012-02-01

    In an attempt to mitigate the hazards associated with storing large quantities of reactive metal hydrides, polymer composite materials were synthesized and tested under simulated usage and accident conditions. The composites were made by polymerizing vinyl monomers using free-radical polymerization chemistry, in the presence of the metal hydride. Composites with vinyl-containing siloxane oligomers were also polymerized with and without added styrene and divinyl benzene. Hydrogen capacity measurements revealed that addition of the polymer to the metal hydride reduced the inherent hydrogen storage capacity of the material. The composites were found to be initially effective at reducing the amount of heat released during oxidation. However, upon cycling the composites, the mitigating behavior was lost. While the polymer composites we investigated have mitigating potential and are physically robust, they undergo a chemical change upon cycling that makes them subsequently ineffective at mitigating heat release upon oxidation of the metal hydride. Acknowledgements The authors would like to thank the following people who participated in this project: Ned Stetson (U.S. Department of Energy) for sponsorship and support of the project. Ken Stewart (Sandia) for building the flow-through calorimeter and cycling test stations. Isidro Ruvalcaba, Jr. (Sandia) for qualitative experiments on the interaction of sodium alanate with water. Terry Johnson (Sandia) for sharing his expertise and knowledge of metal hydrides, and sodium alanate in particular. Marcina Moreno (Sandia) for programmatic assistance. John Khalil (United Technologies Research Corp) for insight into the hazards of reactive metal hydrides and real-world accident scenario experiments. Summary In an attempt to mitigate and/or manage hazards associated with storing bulk quantities of reactive metal hydrides, polymer composite materials (a mixture of a mitigating polymer and a metal hydride) were synthesized and tested under simulated usage and accident conditions. Mitigating the hazards associated with reactive metal hydrides during an accident while finding a way to keep the original capability of the active material intact during normal use has been the focus of this work. These composites were made by polymerizing vinyl monomers using free-radical polymerization chemistry, in the presence of the metal hydride, in this case a prepared sodium alanate (chosen as a representative reactive metal hydride). It was found that the polymerization of styrene and divinyl benzene could be initiated using AIBN in toluene at 70 degC. The resulting composite materials can be either hard or brittle solids depending on the cross-linking density. Thermal decomposition of these styrene-based composite materials is lower than neat polystyrene indicating that the chemical nature of the polymer is affected by the formation of the composite. The char-forming nature of cross-linked polystyrene is low and therefore, not an ideal polymer for hazard mitigation. To obtain composite materials containing a polymer with higher char-forming potential, siloxane-based monomers were investigated. Four vinyl-containing siloxane oligomers were polymerized with and without added styrene and divinyl benzene. Like the styrene materials, these composite materials exhibited thermal decomposition behavior significantly different than the neat polymers. Specifically, the thermal decomposition temperature was shifted approximately 100 degC lower than the neat polymer signifying a major chemical change to the polymer network. Thermal analysis of the cycled samples was performed on the siloxane-based composite materials. It was found that after 30 cycles the siloxane-containing polymer composite material has similar TGA/DSC-MS traces as the virgin composite material indicating that the polymer is physically intact upon cycling. Hydrogen capacity measurements revealed that addition of the polymer to the metal hydride in the form of a composite material reduced the inherent hydrogen storage capacity of the material. This

  14. Reactive-coupling-induced normal mode splittings in microdisk resonators coupled to waveguides

    SciTech Connect (OSTI)

    Huang Sumei; Agarwal, G. S. [Department of Physics, Oklahoma State University, Stillwater, Oklahoma 74078 (United States)

    2010-05-15

    We study the optomechanical design introduced by M. Li et al. [Phys. Rev. Lett. 103, 223901 (2009)], which is very effective for investigation of the effects of reactive coupling. We show the normal mode splitting that is due solely to reactive coupling rather than due to dispersive coupling. We suggest feeding the waveguide with a pump field along with a probe field and scanning the output probe for evidence of reactive-coupling-induced normal mode splitting.

  15. Chemical reactivities of ambient air samples in three Southern California communities

    E-Print Network [OSTI]

    2015-01-01

    and A.K. Cho. 2012. The chemical biology of naphthoquinonesinvolvement of organic chemicals and oxidative stress. Curr.www.tandfonline.com/loi/uawm20 Chemical reactivities of

  16. Chalcogen-Rich Lanthanide Clusters: Cluster Reactivity and the Influence of Ancillary Ligands on Structure

    E-Print Network [OSTI]

    Lawson, Catherine L.

    Chalcogen-Rich Lanthanide Clusters: Cluster Reactivity and the Influence of Ancillary Ligands that highly electronegative, sterically saturating ancillary ligands (e.g. Cp*) are not a prerequisite

  17. ORNL/CP-97155 Instantaneous Reactive Power and Power Factor of

    Office of Scientific and Technical Information (OSTI)

    12-16, 1998, St. Louis, MO. 5 H. Akagi, Y. Kanazawa, A. Nabae, "Instantaneous Reactive Power Compensators Comprising Switching Devices without Energy Storage Components," IEEE...

  18. The effect of minerals on the reactivity of coal char treated thermally

    SciTech Connect (OSTI)

    Zhang, S.; Lu, J.; Zhao, B.; Zhang, J.; Yue, G. [Shanghai University of Science & Technology, Shanghai (China)

    2008-07-01

    The effect of minerals on the reactivity of coal char is addressed in this article. The chars were prepared in N{sub 2} under the inert conditions from the raw coals and their demineralized samples. Thermo-gravimetric analysis (TGA) was used to examine the effect of the minerals in the coals on the reactivity of the derived chars. The effect of minerals on the reactivity of YXV char is different from that on the reactivity of JJV char. The behavior of minerals differs from each other and can be attributed to the different amount, nature, and distribution in the two coals.

  19. Method of measuring reactive acoustic power density in a fluid

    DOE Patents [OSTI]

    Wheatley, J.C.; Swift, G.W.; Migliori, A.

    1985-09-03

    A method for determining reactive acoustic power density level and its direction in a fluid using a single sensor is disclosed. In the preferred embodiment, an apparatus for conducting the method, which is termed a thermoacoustic couple, consists of a stack of thin, spaced apart polymeric plates, selected ones of which include multiple bimetallic thermocouple junctions positioned along opposite end edges thereof. The thermocouple junctions are connected in series in the nature of a thermopile, and are arranged so as to be responsive to small temperature differences between the opposite edges of the plates. The magnitude of the temperature difference, as represented by the magnitude of the electrical potential difference generated by the thermopile, is found to be directly related to the level of acoustic power density in the gas. 5 figs.

  20. Method of measuring reactive acoustic power density in a fluid

    SciTech Connect (OSTI)

    Wheatley, John C.; Swift, Gregory W.; Migliori, Albert

    1985-01-01

    A method for determining reactive acoustic power density level and its direction in a fluid using a single sensor is disclosed. In the preferred embodiment, an apparatus for conducting the method, which is termed a thermoacoustic couple, consists of a stack of thin, spaced apart polymeric plates, selected ones of which include multiple bimetallic thermocouple junctions positioned along opposite end edges thereof. The thermocouple junctions are connected in series in the nature of a thermopile, and are arranged so as to be responsive to small temperature differences between the opposite edges of the plates. The magnitude of the temperature difference, as represented by the magnitude of the electrical potential difference generated by the thermopile, is found to be directly related to the level of acoustic power density in the gas.

  1. Distributed control for optimal reactive power compensation in smart microgrids

    E-Print Network [OSTI]

    Bolognani, Saverio

    2011-01-01

    We consider the problem of optimal reactive power compensation for the minimization of power distribution losses in a smart microgrid. We first propose an approximate model for the power distribution network, which allows us to cast the problem into the class of convex quadratic, linearly constrained, optimization problems. We also show how this model provides the tools for a distributed approach, in which agents have a partial knowledge of the problem parameters and state, and can only perform local measurements. Then, we design a randomized, gossip-like optimization algorithm, providing conditions for convergence together with an analytic characterization of the convergence speed. The analysis shows that the best performance can be achieved when we command cooperation among agents that are neighbors in the smart microgrid topology. Numerical simulations are included to validate the proposed model and to confirm the analytic results about the performance of the proposed algorithm.

  2. Transport of secondary electrons and reactive species in ion tracks

    E-Print Network [OSTI]

    Surdutovich, Eugene

    2015-01-01

    The transport of reactive species brought about by ions traversing tissue-like medium is analysed analytically. Secondary electrons ejected by ions are capable of ionizing other molecules; the transport of these generations of electrons is studied using the random walk approximation until these electrons remain ballistic. Then, the distribution of solvated electrons produced as a result of interaction of low-energy electrons with water molecules is obtained. The radial distribution of energy loss by ions and secondary electrons to the medium yields the initial radial dose distribution, which can be used as initial conditions for the predicted shock waves. The formation, diffusion, and chemical evolution of hydroxyl radicals in liquid water are studied as well.

  3. Anode reactive bleed and injector shift control strategy

    DOE Patents [OSTI]

    Cai, Jun [Rochester, NY; Chowdhury, Akbar [Pittsford, NY; Lerner, Seth E [Honeoye Falls, NY; Marley, William S [Rush, NY; Savage, David R [Rochester, NY; Leary, James K [Rochester, NY

    2012-01-03

    A system and method for correcting a large fuel cell voltage spread for a split sub-stack fuel cell system. The system includes a hydrogen source that provides hydrogen to each split sub-stack and bleed valves for bleeding the anode side of the sub-stacks. The system also includes a voltage measuring device for measuring the voltage of each cell in the split sub-stacks. The system provides two levels for correcting a large stack voltage spread problem. The first level includes sending fresh hydrogen to the weak sub-stack well before a normal reactive bleed would occur, and the second level includes sending fresh hydrogen to the weak sub-stack and opening the bleed valve of the other sub-stack when the cell voltage spread is close to stack failure.

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

    SciTech Connect (OSTI)

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

    2008-09-01

    Currently multi-tubular fixed bed reactors, fluidized bed reactors, and slurry bubble column reactors (SBCRs) are used in commercial Fischer Tropsch (FT) synthesis. There are a number of advantages of the SBCR compared to fixed and fluidized bed reactors. The main advantage of the SBCR is that temperature control and heat recovery are more easily achieved. The SBCR is a multiphase chemical reactor where a synthesis gas, comprised mainly of H2 and CO, is bubbled through a liquid hydrocarbon wax containing solid catalyst particles to produce specialty chemicals, lubricants, or fuels. The FT synthesis reaction is the polymerization of methylene groups [-(CH2)-] forming mainly linear alkanes and alkenes, ranging from methane to high molecular weight waxes. The Idaho National Laboratory is developing a computational multiphase fluid dynamics (CMFD) model of the FT process in a SBCR. This paper discusses the incorporation of absorption and reaction kinetics into the current hydrodynamic model. A phased approach for incorporation of the reaction kinetics into a CMFD model is presented here. Initially, a simple kinetic model is coupled to the hydrodynamic model, with increasing levels of complexity added in stages. The first phase of the model includes incorporation of the absorption of gas species from both large and small bubbles into the bulk liquid phase. The driving force for the gas across the gas liquid interface into the bulk liquid is dependent upon the interfacial gas concentration in both small and large bubbles. However, because it is difficult to measure the concentration at the gas-liquid interface, coefficients for convective mass transfer have been developed for the overall driving force between the bulk concentrations in the gas and liquid phases. It is assumed that there are no temperature effects from mass transfer of the gas phases to the bulk liquid phase, since there are only small amounts of dissolved gas in the liquid phase. The product from the incorporation of absorption is the steady state concentration profile of the absorbed gas species in the bulk liquid phase. The second phase of the model incorporates a simplified macrokinetic model to the mass balance equation in the CMFD code. Initially, the model assumes that the catalyst particles are sufficiently small such that external and internal mass and heat transfer are not rate limiting. The model is developed utilizing the macrokinetic rate expression developed by Yates and Satterfield (1991). Initially, the model assumes that the only species formed other than water in the FT reaction is C27H56. Change in moles of the reacting species and the resulting temperature of the catalyst and fluid phases is solved simultaneously. The macrokinetic model is solved in conjunction with the species transport equations in a separate module which is incorporated into the CMFD code.

  5. Properties of reactive oxygen species by quantum Monte Carlo

    SciTech Connect (OSTI)

    Zen, Andrea; Trout, Bernhardt L.; Guidoni, Leonardo

    2014-07-07

    The electronic properties of the oxygen molecule, in its singlet and triplet states, and of many small oxygen-containing radicals and anions have important roles in different fields of chemistry, biology, and atmospheric science. Nevertheless, the electronic structure of such species is a challenge for ab initio computational approaches because of the difficulties to correctly describe the statical and dynamical correlation effects in presence of one or more unpaired electrons. Only the highest-level quantum chemical approaches can yield reliable characterizations of their molecular properties, such as binding energies, equilibrium structures, molecular vibrations, charge distribution, and polarizabilities. In this work we use the variational Monte Carlo (VMC) and the lattice regularized Monte Carlo (LRDMC) methods to investigate the equilibrium geometries and molecular properties of oxygen and oxygen reactive species. Quantum Monte Carlo methods are used in combination with the Jastrow Antisymmetrized Geminal Power (JAGP) wave function ansatz, which has been recently shown to effectively describe the statical and dynamical correlation of different molecular systems. In particular, we have studied the oxygen molecule, the superoxide anion, the nitric oxide radical and anion, the hydroxyl and hydroperoxyl radicals and their corresponding anions, and the hydrotrioxyl radical. Overall, the methodology was able to correctly describe the geometrical and electronic properties of these systems, through compact but fully-optimised basis sets and with a computational cost which scales as N{sup 3} ? N{sup 4}, where N is the number of electrons. This work is therefore opening the way to the accurate study of the energetics and of the reactivity of large and complex oxygen species by first principles.

  6. Multi-phase glass-ceramics as a waste form for combined fission products: alkalis, alkaline earths, lanthanides, and transition metals

    SciTech Connect (OSTI)

    Crum, Jarrod V.; Turo, Laura A.; Riley, Brian J.; Tang, Ming; Kossoy, Anna

    2012-04-01

    In this study, multi-phase silicate-based glass-ceramics were investigated as an alternate waste form for immobilizing non-fissionable products from used nuclear fuel. Currently, borosilicate glass is the waste form selected for immobilization of this waste stream, however, the low thermal stability and solubility of MoO{sub 3} in borosilicate glass translates into a maximum waste loading in the range of 15-20 mass%. Glass-ceramics provide the opportunity to target durable crystalline phases, e.g., powellite, oxyapatite, celsian, and pollucite, that will incorporate MoO{sub 3} as well as other waste components such as lanthanides, alkalis, and alkaline earths at levels 2X the solubility limits of a single-phase glass. In addition a glass-ceramic could provide higher thermal stability, depending upon the properties of the crystalline and amorphous phases. Glass-ceramics were successfully synthesized at waste loadings of 42, 45, and 50 mass% with the following glass additives: B{sub 2}O{sub 3}, Al{sub 2}O{sub 3}, CaO and SiO{sub 2} by slow cooling form from a glass melt. Glass-ceramics were characterized in terms of phase assemblage, morphology, and thermal stability. The targeted phases: powellite and oxyapatite were observed in all of the compositions along with a lanthanide borosilicate, and cerianite. Results of this initial investigation of glass-ceramics show promise as a potential waste form to replace single-phase borosilicate glass.

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

    SciTech Connect (OSTI)

    Vince Maio

    2014-08-01

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

  8. Generalization of the Linearized Approximation to the Semiclassical Initial Value Representation for Reactive Flux Correlation Functions

    E-Print Network [OSTI]

    Miller, William H.

    of linearization of the general SC-IVR expression for the reactive flux correlation function (which is related10ARTICLES Generalization of the Linearized Approximation to the Semiclassical Initial Value Representation for Reactive Flux Correlation Functions William H. Miller Department of Chemistry, Uni

  9. PEV-based Reactive Power Compensation for Wind DG Units: A Stackelberg Game Approach

    E-Print Network [OSTI]

    Huang, Jianwei

    1 PEV-based Reactive Power Compensation for Wind DG Units: A Stackelberg Game Approach Chenye Wu, in particular wind power, in form of distributed generation (DG) units. However, one important challenge with wind DG units is to provide low-cost and fast-responding reactive power compensation of the wind

  10. How laminar frontal cortex and basal ganglia circuits interact to control planned and reactive saccades

    E-Print Network [OSTI]

    Crawford, Doug

    How laminar frontal cortex and basal ganglia circuits interact to control planned and reactive reactive behaviors are insufficient. This paper proposes a new model, called TELOS, to explain how laminar). In amphibians and all land vertebrates, the BG interact with a laminar structure, the optic tectum (OT), or its

  11. A gas-kinetic scheme for reactive ows Yongsheng Lian, Kun Xu*

    E-Print Network [OSTI]

    Xu, Kun

    A gas-kinetic scheme for reactive ¯ows Yongsheng Lian, Kun Xu* Department of Mathematics, Hong Kong in revised form 22 July 1999; accepted 22 July 1999 Abstract In this paper, the gas-kinetic BGK scheme for the compressible ¯ow equations is extended to chemical reactive ¯ow. The mass fraction of the unburnt gas

  12. Generation of Reactive Oxygen Species Mediated by 1Hydroxyphenazine, a Virulence Factor of Pseudomonas aeruginosa

    E-Print Network [OSTI]

    Gates, Kent. S.

    Generation of Reactive Oxygen Species Mediated by 1Hydroxyphenazine, a Virulence Factor tool for the detection of ROS generation mediated by 1-HP. These assays provided evidence that 1-HP evidence that 1-HP mediates the generation of intracellular oxidants. Generation of reactive oxygen species

  13. Comparison of reactivity measurements using water height, rods, and boron poison in the CX-SNTP

    SciTech Connect (OSTI)

    Ball, R.M. [B& W Nuclear Environmental Services, Inc., Lynchburg, VA (United States); Hoovler, G.S. [Babcock & Wilcox, Lynchburg, VA (United States)

    1995-12-31

    Babcock & Wilcox (B&W) designed and fabricated the experimental nuclear reactor (CX), for the Space Nuclear Thermal Propulsion (SNTP) program sponsored by the U.S. Air Force. The CX had an excess reactivity between $2.0 and $2.5. Variations in differential boric acid worth depending on the method used for balancing the reactivity are discussed in this paper.

  14. A reactive BGK-type model: influence of elastic collisions and chemical interactions

    E-Print Network [OSTI]

    Ceragioli, Francesca

    , Portugal Abstract. A BGK-type model for a reactive multicomponent gas undergoing chemical bimolecularA reactive BGK-type model: influence of elastic collisions and chemical interactions R. Monaco£ , M, as well as on common mean velocity and tempera- ture, is investigated with respect to chemical equilibrium

  15. A Tariff for Reactive Power 0 100 200 300 400 500 600 700 800

    E-Print Network [OSTI]

    Pennycook, Steve

    that if the inverters of PV systems or the generators of combined heat and power (CHP) systems were designed1 A Tariff for Reactive Power -100 -50 0 50 100 150 200 250 0 100 200 300 400 500 600 700 800 LINE describes a suggested tariff or payment for the local supply of reactive power from distributed energy

  16. Context-Specific Freezing and Associated Physiological Reactivity as a Dysregulated Fear Response

    E-Print Network [OSTI]

    Wisconsin at Madison, University of

    Context-Specific Freezing and Associated Physiological Reactivity as a Dysregulated Fear Response; only task-specific freezing behavior predicted higher reactive and basal cortisol levels and resting.g., freezing and startle), and social manifestations (e.g., shy- ness). Although components of the same

  17. Aalborg Universitet Reactive Power Support of Electrical Vehicle Charging Station Upgraded with Flywheel

    E-Print Network [OSTI]

    Vasquez, Juan Carlos

    Aalborg Universitet Reactive Power Support of Electrical Vehicle Charging Station Upgraded of Electrical Vehicle Charging Station Upgraded with Flywheel Energy Storage System," in Proc. IEEE PowerTech, 2015. Reactive Power Support of Electrical Vehicle Charging Station Upgraded with Flywheel Energy

  18. Relating theories of actions and reactive control Chitta Baral and Tran Cao Son

    E-Print Network [OSTI]

    Baral, Chitta

    Relating theories of actions and reactive control Chitta Baral and Tran Cao Son Department In this paper 1 we give a formal characterization of reactive control using ac­ tion theories. In the process we provenly correct control modules. We then extend our approach to action theories and control modules

  19. Finite Volume Element Approximations of Nonlocal Reactive Flows in Porous Media

    E-Print Network [OSTI]

    Ewing, Richard E.

    , Raytcho Lazarov Institute for Scienti#12;c Computation Texas A&M University 612 Blocker Building College. This model is very important in the transport of reactive and passive contaminates in aquifers, an area point of view, the evolution of either a passive or reactive chemical within a velocity #12;eld

  20. Relating maximum airway dilation and subsequent reconstriction to reactivity in human lungs

    E-Print Network [OSTI]

    Lutchen, Kenneth

    Relating maximum airway dilation and subsequent reconstriction to reactivity in human lungs Lauren in human lungs. J Appl Physiol 96: 1808­1814, 2004. First published February 6, 2004; 10.1152/japplphysiol reactivity in healthy lungs by prohibiting DI for an extended period. The present study had two goals. First

  1. Modeling Reactive Flows in Porous Media Peter Lichtner (lead PI), Los Alamos National Laboratory

    E-Print Network [OSTI]

    Mills, Richard

    and reactive transport in porous media. Apply it to field-scale studies of Geologic CO2 sequestrationModeling Reactive Flows in Porous Media Peter Lichtner (lead PI), Los Alamos National Laboratory NCCS Users Meeting March 28, 2007 #12;Introduction Companion to SciDAC-II project, "Modeling

  2. Multicomponent reactive transport modeling at the Ratones uranium mine, Cceres (Spain)

    E-Print Network [OSTI]

    Politècnica de Catalunya, Universitat

    Multicomponent reactive transport modeling at the Ratones uranium mine, Cáceres (Spain) Modelación management. The Ratones uranium mine was abandoned and flooded in 1974. Due to its reducing underground water, uranium, reactive transport, granite hydrochemistry, Ratones mine. Resumen La inundación de minas

  3. Low-temperature reactive coupling at polymerpolymer interfaces facilitated by supercritical CO2

    E-Print Network [OSTI]

    Low-temperature reactive coupling at polymer­polymer interfaces facilitated by supercritical CO2 S online 22 August 2005 Abstract Supercritical CO2 (scCO2) has been used to facilitate reactions in thin,6,7], the formation of such BCPs via reactive compatibilization [8­10], and the use of supercritical CO2 (scCO2) [11

  4. Author's personal copy A reactive force-field for Zirconium and Hafnium Di-Boride

    E-Print Network [OSTI]

    Sharma, Pradeep

    Author's personal copy A reactive force-field for Zirconium and Hafnium Di-Boride Afif Gouissem reactions High temperature materials a b s t r a c t Zirconium and Hafnium Di-Boride are the two major. Introduction The aim of this study is to develop transferable reactive force fields for Zirconium and Hafnium

  5. Evaluation of Reactive Power Control Capabilities of Residential PV in an Unbalanced Distribution Feeder

    E-Print Network [OSTI]

    and the overall effectiveness of each solution in realistic feeder states. Index Terms -- photovoltaic systems, reactive power control, voltage control, particle swarm optimization. I. INTRODUCTION Photovoltaic (PV PV is to use the spare reactive power capacity of their grid-tie inverters collectively to benefit

  6. The Effect of Loading on Reactive Market Power Antonio C. Zambroni de Souza Fernando Alvarado Mevludin Glavic

    E-Print Network [OSTI]

    that are supposed to be competing in the deregulated energy market. Reactive power supplies can make some particular of the system where additional sources of reactive power injection may be required. If such a region exists

  7. Role of nitric oxide in neurodegeneration and vulnerability of neuronal cells to nitric oxide metabolites and reactive oxygen species

    E-Print Network [OSTI]

    Bondy, SC; Lahiri, DK; Ghosh, C; Rogers, JT; Greig, NH

    2010-01-01

    hormone · Reactive nitrogen species · RNS · Tissue culture 1reactive nitrogen species (RNS), such as NO, suggest that inDisorders NO and other ROS and RNS exert important roles in

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

    Broader source: Energy.gov [DOE]

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

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

    SciTech Connect (OSTI)

    Schoonen, Martin A. [Stony Brook University

    2014-12-22

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

  10. Mechanical models of fracture reactivation and slip on bedding surfaces during folding of the asymmetric anticline at Sheep Mountain, Wyoming

    E-Print Network [OSTI]

    Borja, Ronaldo I.

    Mechanical models of fracture reactivation and slip on bedding surfaces during folding June 2008 Accepted 5 June 2008 Available online 13 June 2008 Keywords: Fold Fracture reactivation Bed methods to investigate the reactivation of fractures (opening and shearing) and the development of bedding

  11. A coupled THMC model of a heating and hydration laboratory experiment in unsaturated compacted FEBEX bentonite

    SciTech Connect (OSTI)

    Zheng, L.; Samper, J.; Montenegro, L.; Fernandez, A.M.

    2010-05-01

    Unsaturated compacted bentonite is foreseen by several countries as a backfill and sealing material in high-level radioactive waste repositories. The strong interplays between thermal (T), hydrodynamic (H), mechanical (M) and chemical (C) processes during the hydration stage of a repository call for fully coupled THMC models. Validation of such THMC models is prevented by the lack of comprehensive THMC experiments and the difficulties of experimental methods to measure accurately the chemical composition of bentonite porewater. We present here a non-isothermal multiphase flow and multicomponent reactive solute transport model for a deformable medium of a heating and hydration experiment performed on a sample of compacted FEBEX bentonite. Besides standard solute transport and geochemical processes, the model accounts for solute cross diffusion and thermal and chemical osmosis. Bentonite swelling is solved with a state-surface approach. The THM model is calibrated with transient temperature, water content and porosity data measured at the end of the experiment. The reactive transport model is calibrated with porewater chemical data derived from aqueous extract data. Model results confirm that thermal osmosis is relevant for the hydration of FEBEX bentonite while chemical osmosis can be safely neglected. Dilution and evaporation are the main processes controlling the concentration of conservative species. Dissolved cations are mostly affected by calcite dissolution-precipitation and cation exchange reactions. Dissolved sulphate is controlled by gypsum/anhydrite dissolution-precipitation. pH is mostly buffered by protonation/deprotonation via surface complexation. Computed concentrations agree well with inferred aqueous extract data at all sections except near the hydration boundary where cation data are affected by a sampling artifact. The fit of Cl{sup -} data is excellent except for the data near the heater. The largest deviations of the model from inferred aqueous extract data occur for dissolved SO{sub 4}{sup 2-} which is underpredicted by the model. There are uncertainties on the amount of gypsum available for dissolution and its dissolution mechanism (kinetics or local equilibrium).

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

    DOE Patents [OSTI]

    Bostick, William D. (Oak Ridge, TN); Denton, Mark S. (Oak Ridge, TN); Dinsmore, Stanley R. (Norris, TN)

    1981-01-01

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

  13. Predictive modeling of reactive wetting and metal joining.

    SciTech Connect (OSTI)

    van Swol, Frank B.

    2013-09-01

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

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

    SciTech Connect (OSTI)

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

    1986-06-20

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

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

    SciTech Connect (OSTI)

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

    2004-03-11

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

  16. Etching radical controlled gas chopped deep reactive ion etching

    DOE Patents [OSTI]

    Olynick, Deidre; Rangelow, Ivo; Chao, Weilun

    2013-10-01

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

  17. Installation of reactive metals groundwater collection and treatment systems

    SciTech Connect (OSTI)

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

    1998-07-01

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

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

    SciTech Connect (OSTI)

    Lin, M.C. [Emory Univ., Atlanta, GA (United States)

    1993-12-01

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

  19. Photoconductivity in reactively evaporated copper indium selenide thin films

    SciTech Connect (OSTI)

    Urmila, K. S., E-mail: urmilaks7@gmail.com; Asokan, T. Namitha, E-mail: urmilaks7@gmail.com; Pradeep, B., E-mail: urmilaks7@gmail.com [Solid State Physics Laboratory, Cochin University of Science and Technology, Kochi, Kerala (India); Jacob, Rajani; Philip, Rachel Reena [Thin Film Research Laboratory, Union Christian College, Aluva, Kerala (India)

    2014-01-28

    Copper indium selenide thin films of composition CuInSe{sub 2} with thickness of the order of 130 nm are deposited on glass substrate at a temperature of 423 ±5 K and pressure of 10{sup ?5} mbar using reactive evaporation, a variant of Gunther's three temperature method with high purity Copper (99.999%), Indium (99.999%) and Selenium (99.99%) as the elemental starting materials. X-ray diffraction (XRD) studies shows that the films are polycrystalline in nature having preferred orientation of grains along the (112) plane. The structural type of the film is found to be tetragonal with particle size of the order of 32 nm. The structural parameters such as lattice constant, particle size, dislocation density, number of crystallites per unit area and strain in the film are also evaluated. The surface morphology of CuInSe{sub 2} films are studied using 2D and 3D atomic force microscopy to estimate the grain size and surface roughness respectively. Analysis of the absorption spectrum of the film recorded using UV-Vis-NIR Spectrophotometer in the wavelength range from 2500 nm to cutoff revealed that the film possess a direct allowed transition with a band gap of 1.05 eV and a high value of absorption coefficient (?) of 10{sup 6} cm{sup ?1} at 570 nm. Photoconductivity at room temperature is measured after illuminating the film with an FSH lamp (82 V, 300 W). Optical absorption studies in conjunction with the good photoconductivity of the prepared p-type CuInSe{sub 2} thin films indicate its suitability in photovoltaic applications.

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

    Broader source: Energy.gov [DOE]

    Explores in-cylinder mechanisms by which fuel reactivity stratification via a two fuel system affects premixed charge compression ignition heat release rate to achieve diesel-like efficiency

  1. Assessment of the Economic Potential of Microgrids for Reactive Power Supply

    SciTech Connect (OSTI)

    Appen, Jan von; Marnay, Chris; Stadler, Michael; Momber, Ilan; Klapp, David; Scheven, Alexander von

    2011-05-01

    As power generation from variable distributed energy resources (DER) grows, energy flows in the network are changing, increasing the requirements for ancillary services, including voltage support. With the appropriate power converter, DER can provide ancillary services such as frequency control and voltage support. This paper outlines the economic potential of DERs coordinated in a microgrid to provide reactive power and voltage support at its point of common coupling. The DER Customer Adoption Model assesses the costs of providing reactive power, given local utility rules. Depending on the installed DER, the cost minimizing solution for supplying reactive power locally is chosen. Costs include the variable cost of the additional losses and the investment cost of appropriately over-sizing converters or purchasing capacitors. A case study of a large health care building in San Francisco is used to evaluate different revenue possibilities of creating an incentive for microgrids to provide reactive power.

  2. Testing hyperalgesia and hypoalgesia in human pain reactivity using shock and radiant heat 

    E-Print Network [OSTI]

    Rhudy, Jamie Lynn

    1998-01-01

    Recent animal studies pose a serious challenge for raphics. current models of pain modulation. These studies have shown that exposure to the same aversive stimulus has opposite effects on different measures of pain reactivity, ...

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

    SciTech Connect (OSTI)

    Herrmann, Steven Douglas

    2014-05-27

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

  4. Combining thorium with burnable poison for reactivity control of a very long cycle BWR

    E-Print Network [OSTI]

    Inoue, Yuichiro, 1969-

    2004-01-01

    The effect of utilizing thorium together with gadolinium, erbium, or boron burnable absorber in BWR fuel assemblies for very long cycle is investigated. Nuclear characteristics such as reactivity and power distributions ...

  5. DYNAMIC MODELING AND CONTROL OF REACTIVE DISTILLATION FOR HYDROGENATION OF BENZENE 

    E-Print Network [OSTI]

    Aluko, Obanifemi

    2010-01-16

    This work presents a modeling and control study of a reactive distillation column used for hydrogenation of benzene. A steady state and a dynamic model have been developed to investigate control structures for the column. ...

  6. Structures and Reactivity of Transition-Metal Compounds Featuring Metal-Ligand Multiple Bonds 

    E-Print Network [OSTI]

    Xu, Zhenggang

    2014-07-25

    This dissertation presents the results from density functional theory (DFT) calculations on three major projects I have been working on over the past several years. The first system is focused on the structure and reactivity ...

  7. Alkbh8 Regulates Selenocysteine-Protein Expression to Protect against Reactive Oxygen Species Damage

    E-Print Network [OSTI]

    Endres, Lauren

    Environmental and metabolic sources of reactive oxygen species (ROS) can damage DNA, proteins and lipids to promote disease. Regulation of gene expression can prevent this damage and can include increased transcription, ...

  8. Voltage Control of Distribution Networks with Distributed Generation using Reactive Power

    E-Print Network [OSTI]

    Pota, Himanshu Roy

    , photovoltaics, and synchronous generators. I. INTRODUCTION Penetration of DG into distribution network in terms of voltage profile improvement, line-loss reduction, and environmental impact reductionVoltage Control of Distribution Networks with Distributed Generation using Reactive Power

  9. Reactivity of nanocolloidal particles -Fe2O3 at charged interfaces: 2-Electrochemical conversion.

    E-Print Network [OSTI]

    Boyer, Edmond

    synthesis of magnetic and conductive liquids. The reactivity of charged colloidal10 particles occurs in two by methyl viologen), nanoparticles of hematite and goethite (-FeOOH: d = 50 nm) are invo

  10. Mechanistic Details and Reactivity Descriptors in Oxidation and Acid Catalysis of Methanol

    E-Print Network [OSTI]

    Iglesia, Enrique

    /O2 ratios predicted from the elementary steps proposed. First-order ODH rate constants depend-suited to assess reaction mechanisms and the effects of composition on catalytic reactivity and selectivity and the ultimate design of cataly

  11. Analysis of Reactivity Induced Accident for Control Rods Ejection with Loss of Cooling

    E-Print Network [OSTI]

    Saad, Hend Mohammed El Sayed; Wahab, Moustafa Aziz Abd El

    2013-01-01

    Understanding of the time-dependent behavior of the neutron population in nuclear reactor in response to either a planned or unplanned change in the reactor conditions, is a great importance to the safe and reliable operation of the reactor. In the present work, the point kinetics equations are solved numerically using stiffness confinement method (SCM). The solution is applied to the kinetics equations in the presence of different types of reactivities and is compared with different analytical solutions. This method is also used to analyze reactivity induced accidents in two reactors. The first reactor is fueled by uranium and the second is fueled by plutonium. This analysis presents the effect of negative temperature feedback with the addition positive reactivity of control rods to overcome the occurrence of control rod ejection accident and damaging of the reactor. Both power and temperature pulse following the reactivity- initiated accidents are calculated. The results are compared with previous works and...

  12. Analysis of Reactivity Induced Accident for Control Rods Ejection with Loss of Cooling

    E-Print Network [OSTI]

    Hend Mohammed El Sayed Saad; Hesham Mohammed Mohammed Mansour; Moustafa Aziz Abd El Wahab

    2013-06-05

    Understanding of the time-dependent behavior of the neutron population in nuclear reactor in response to either a planned or unplanned change in the reactor conditions, is a great importance to the safe and reliable operation of the reactor. In the present work, the point kinetics equations are solved numerically using stiffness confinement method (SCM). The solution is applied to the kinetics equations in the presence of different types of reactivities and is compared with different analytical solutions. This method is also used to analyze reactivity induced accidents in two reactors. The first reactor is fueled by uranium and the second is fueled by plutonium. This analysis presents the effect of negative temperature feedback with the addition positive reactivity of control rods to overcome the occurrence of control rod ejection accident and damaging of the reactor. Both power and temperature pulse following the reactivity- initiated accidents are calculated. The results are compared with previous works and satisfactory agreement is found.

  13. Reaction mechanism of cumene hydroperoxide decomposition in cumene and evaluation of its reactivity hazards 

    E-Print Network [OSTI]

    Lu, Yuan

    2009-05-15

    understanding of the reaction mechanism. The slow progress in theoretical research hinders the application of the theoretical prediction in experimental research. For experimental research, the lack of integration of operational parameters into the reactivity...

  14. Inhibition of Pyruvate Kinase M2 by Reactive Oxygen Species Contributes to Cellular Antioxidant Responses

    E-Print Network [OSTI]

    Vander Heiden, Matthew G.

    Control of intracellular reactive oxygen species (ROS) concentrations is critical for cancer cell survival. We show that, in human lung cancer cells, acute increases in intracellular concentrations of ROS caused inhibition ...

  15. Integration of reactive polymeric nanofilms into a low-power electromechanical switch for selective chemical sensing

    E-Print Network [OSTI]

    Arora, William J.

    This paper presents the fabrication and demonstration of an ultrathin microelectromechanical chemical sensing device. Microcantilevers are etched from 100-nm-thick silicon nitride, and a 75-nm-thick reactive copolymer film ...

  16. FLOW AND REACTIVE TRANSPORT MODELING IN THE GTS-HPF EXPERIMENT

    E-Print Network [OSTI]

    Politècnica de Catalunya, Universitat

    repositories for L/IL radioactive waste ·Hyperalkaline solutions #12;GTS-HPF Grimsel Test Site - HyperalkalineFLOW AND REACTIVE TRANSPORT MODELING IN THE GTS-HPF EXPERIMENT Grimsel Test Site ­ Hyperalkaline

  17. Static reactive power compensators for high-voltage power systems. Final report

    SciTech Connect (OSTI)

    Not Available

    1981-04-01

    A study conducted to summarize the role of static reactive power compensators for high voltage power system applications is described. This information should be useful to the utility system planning engineer in applying static var systems (SVS) to high voltage as (HVAC) systems. The static var system is defined as a form of reactive power compensator. The general need for reactive power compensation in HVAC systems is discussed, and the static var system is compared to other devices utilized to provide reactive power compensation. Examples are presented of applying SVS for specific functions, such as the prevention of voltage collapse. The operating principles of commercially available SVS's are discussed in detail. The perormance and active power loss characteristics of SVS types are compared.

  18. Reactivity of Ozone with Solid Potassium Iodide Investigated by Atomic Force Microscopy

    E-Print Network [OSTI]

    Brown, Matthew A.

    2008-01-01

    J. C. , Reactivity of ozone on solid potassium iodide.and mechanisms of aqueous ozone reactions with bromide,for Dry Deposition of Ozone to Seawater Surfaces. Journal of

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

    Broader source: Energy.gov [DOE]

    Final ReportPhase II: Performance Evaluation of Permeable Reactive Barriers and Potential for Rejuvenation by Chemical FlushingU. S. Environmental Protection Agency Region 8 SupportJanuary 2004

  20. FLOW AND REACTIVE TRANSPORT IN POROUS MEDIA INDUCED BY WELL INJECTION: SIMILARITY SOLUTION

    E-Print Network [OSTI]

    FLOW AND REACTIVE TRANSPORT IN POROUS MEDIA INDUCED BY WELL INJECTION: SIMILARITY SOLUTION C.J. VAN from laboratory batch experiments. Typical examples of isotherms are (see e.g. Freeze and Cherry [FC

  1. Isomeric differentiation of polycyclic aromatic hydrocarbons using silver nitrate reactive desorption electrospray ionization

    E-Print Network [OSTI]

    Zare, Richard N.

    Isomeric differentiation of polycyclic aromatic hydrocarbons using silver nitrate reactive hydrocarbons (PAHs) are nonpolar and difficult to detect by desorption electrospray ionization. We present. Polycyclic aromatic hydrocarbons (PAHs) are one of the most prevalent forms of aquatic environmental

  2. Incorporation of reactive magnesia and quicklime in sustainable binders for soil stabilisation

    E-Print Network [OSTI]

    Gu, Kai; Jin, Fei; Al-Tabbaa, Abir; Shi, Bin; Liu, Chun; Gao, Lei

    2015-05-27

    strength, volume stability, durability and permeability. The primary mechanism of soil stabilisation with PC is through the hydration of PC which leads to the formation of cementitious calcium silicate hydrates (C-S-H), calcium aluminate hydrates (C... which leads to expansion and cracking of cement and concrete through the delayed hydration. Reactive MgOs have much higher reactivity than dead burned MgO and hence faster hydration rate. On the other hand, given the different origins and production...

  3. Letters to the Editor Enhancement of char reactivity by rapid heating of precursor coal

    E-Print Network [OSTI]

    of air was measured at 500°C in a TGA apparatus as previously des- cribed'. The char sample was heated in the TGA unit at lO"C/min to 500°C in N2 and soaked for 15 min prior to studying reactivity. Reactivity on heat RT Heat treatments treatment (%, dry basis) (g h-' g-`) 10"Clmin to 500°C 37.3 3.85 lO"C/min to8OO"C

  4. Conditioned changes in pain reactivity: conditioned stimuli elicit hypoalgesia under a wide range of test conditions 

    E-Print Network [OSTI]

    Illich, Paul Anthony

    1990-01-01

    in pain reactivity. In four experiments I attempt to isolate the variables which determine the direction of the conditioned response. In all experiments, I assessed the impact of a previously paired stimulus (CSt) and a nonreinforced stimulus (CS...-) on pain reactivity as measured by both tail-flick latencies and shock-induced vocalization. Experiment 1 assessed whether the amount of training plays a critical role. I found that the CS+ elicited longer tail-flick latencies (hypoalgesia) irrespective...

  5. Flow assurance and multiphase pumping 

    E-Print Network [OSTI]

    Nikhar, Hemant G.

    2009-05-15

    ????????????????????????????????????????. xvii NOMENCLATURE???????????????????????????????????????. xviii 1. INTRODUCTION??????????????????????????????????????? 1 2. LITERATURE REVIEW???????????????????????????????????.. 5 Deepwater Oilfields???????????????????????????????????.. 7 Flow...????????????????????????????????.. 71 Limited Energy Reservoirs and Deep Waters???????????????????? 71 5. SOLIDS FORMATION AND DEPOSITION??????????????????????????. 72 Gas Hydrates??????????????????????????????????????? 72 Field Problems??????????????????????????????????????. 74...

  6. Permeability Modification Using a Reactive Alkaline-Soluble Biopolymer

    SciTech Connect (OSTI)

    Snadra L. Fox; X. Xie; K. D. Schaller; E. P. Robertson; G. A. Bala

    2003-10-01

    Polymer injection has been used in reservoirs to alleviate contrasting permeability zones. Current technology relies on the use of cross-linking agents to initiate gelation. The use of biological polymers are advantageous in that they can block high permeability areas, are environmentally friendly, and have potential to form reversible gels without the use of hazardous cross-linkers. Recent efforts at the Idaho National Engineering and Environmental Laboratory (INEEL) have produced a reactive alkaline-soluble biopolymer from Agrobacterium sp. ATCC no. 31749 that gels upon decreasing the pH of the polymeric solution. The focus of this study was to determine the impact an alkaline-soluble biopolymer can have on sandstone permeability. Permeability modification was investigated by injecting solubilized biopolymer into Berea sandstone cores and defining the contribution of pH, salt, temperature, and Schuricht crude oil on biopolymer gelation. The biopolymer was soluble in KOH at a pH greater than 11.4 and gelled when the pH dropped below 10.8. The Berea sandstone core buffered the biopolymer solution, decreasing the pH sufficiently to form a gel, which subsequently decreased the permeability. The effluent pH of the control cores injected with 0.01 {und M} KOH (pH 12.0) and 0.10{und M} KOH (pH 13.0) decreased to 10.6 and 12.7, respectively. The permeability of the sandstone core injected with biopolymer was decreased to greater than 95% of the original permeability at 25 C in the presence of 2% NaCl, and Schuricht crude oil; however, the permeability increased when the temperature of the core was increased to 60 C. Residual resistance factors as high as 792 were seen in Berea cores treated with biopolymer. The buffering capacity of sandstone has been demonstrated to reduce the pH of a biopolymer solution sufficiently to cause the polymer to form a stable in-situ gel. This finding could potentially lead to alternate technology for permeability modification, thus extending the life of a reservoir and preventing premature abandonment.

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

    SciTech Connect (OSTI)

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

    2014-03-01

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

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

    SciTech Connect (OSTI)

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

    1980-02-01

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

  9. Automated Impedance Tomography for Monitoring Permeable Reactive Barrier Health

    SciTech Connect (OSTI)

    LaBrecque, D J; Adkins, P L

    2009-07-02

    The objective of this research was the development of an autonomous, automated electrical geophysical monitoring system which allows for near real-time assessment of Permeable Reactive Barrier (PRB) health and aging and which provides this assessment through a web-based interface to site operators, owners and regulatory agencies. Field studies were performed at four existing PRB sites; (1) a uranium tailing site near Monticello, Utah, (2) the DOE complex at Kansas City, Missouri, (3) the Denver Federal Center in Denver, Colorado and (4) the Asarco Smelter site in East Helena, Montana. Preliminary surface data over the PRB sites were collected (in December, 2005). After the initial round of data collection, the plan was modified to include studies inside the barriers in order to better understand barrier aging processes. In September 2006 an autonomous data collection system was designed and installed at the EPA PRB and the electrode setups in the barrier were revised and three new vertical electrode arrays were placed in dedicated boreholes which were in direct contact with the PRB material. Final data were collected at the Kansas City, Denver and Monticello, Utah PRB sites in the fall of 2007. At the Asarco Smelter site in East Helena, Montana, nearly continuous data was collected by the autonomous monitoring system from June 2006 to November 2007. This data provided us with a picture of the evolution of the barrier, enabling us to examine barrier changes more precisely and determine whether these changes are due to installation issues or are normal barrier aging. Two rounds of laboratory experiments were carried out during the project. We conducted column experiments to investigate the effect of mineralogy on the electrical signatures resulting from iron corrosion and mineral precipitation in zero valent iron (ZVI) columns. In the second round of laboratory experiments we observed the electrical response from simulation of actual field PRBs at two sites: the Kansas City barrier and the East Helena barrier. As these sites are also used for our field monitoring efforts, this allowed for a comparison between field and laboratory. In column studies with high concentrations of calcium and carbonate/bicarbonate, we observed that the increase of electrical resistivity and decrease of polarization magnitude is significant and is mainly controlled by the precipitation of calcium carbonates. In general, the electrical properties of all of the barriers studied follow a pattern. New barriers are fairly resistive with in-situ conductivity only a few times background (outside the barrier) values. Older barriers get increasingly conductive, with failed barriers showing values of over 100 S/m. The induced polarization response is more complicated. Chargeability values increase over time for young barriers, are largest for healthy barriers in the middle of their lifespan, and decrease as the barrier ages These results suggest that normalized IP appears promising as a measure of barrier age.

  10. A Preliminary Analysis of the Economics of Using Distributed Energy as a Source of Reactive Power Supply

    SciTech Connect (OSTI)

    Li, Fangxing; Kueck, John D; Rizy, D Tom; King, Thomas F

    2006-04-01

    A major blackout affecting 50 million people in the Northeast United States, where insufficient reactive power supply was an issue, and an increased number of filings made to the Federal Energy Regulatory Commission by generators for reactive power has led to a closer look at reactive power supply and compensation. The Northeastern Massachusetts region is one such area where there is an insufficiency in reactive power compensation. Distributed energy due to its close proximity to loads seems to be a viable option for solving any present or future reactive power shortage problems. Industry experts believe that supplying reactive power from synchronized distributed energy sources can be 2 to 3 times more effective than providing reactive support in bulk from longer distances at the transmission or generation level. Several technology options are available to supply reactive power from distributed energy sources such as small generators, synchronous condensers, fuel cells or microturbines. In addition, simple payback analysis indicates that investments in DG to provide reactive power can be recouped in less than 5 years when capacity payments for providing reactive power are larger than $5,000/kVAR and the DG capital and installation costs are lower than $30/kVAR. However, the current institutional arrangements for reactive power compensation present a significant barrier to wider adoption of distributed energy as a source of reactive power. Furthermore, there is a significant difference between how generators and transmission owners/providers are compensated for reactive power supplied. The situation for distributed energy sources is even more difficult, as there are no arrangements to compensate independent DE owners interested in supplying reactive power to the grid other than those for very large IPPs. There are comparable functionality barriers as well, as these smaller devices do not have the control and communications requirements necessary for automatic operation in response to local or system operators. There are no known distributed energy asset owners currently receiving compensation for reactive power supply or capability. However, there are some cases where small generators on the generation and transmission side of electricity supply have been tested and have installed the capability to be dispatched for reactive power support. Several concerns need to be met for distributed energy to become widely integrated as a reactive power resource. The overall costs of retrofitting distributed energy devices to absorb or produce reactive power need to be reduced. There needs to be a mechanism in place for ISOs/RTOs to procure reactive power from the customer side of the meter where distributed energy resides. Novel compensation methods should be introduced to encourage the dispatch of dynamic resources close to areas with critical voltage issues. The next phase of this research will investigate in detail how different options of reactive power producing DE can compare both economically and functionally with shunt capacitor banks. Shunt capacitor banks, which are typically used for compensating reactive power consumption of loads on distribution systems, are very commonly used because they are very cost effective in terms of capital costs. However, capacitor banks can require extensive maintenance especially due to their exposure to lightning at the top of utility poles. Also, it can be problematic to find failed capacitor banks and their maintenance can be expensive, requiring crews and bucket trucks which often requires total replacement. Another shortcoming of capacitor banks is the fact that they usually have one size at a location (typically sized as 300, 600, 900 or 1200kVAr) and thus don't have variable range as do reactive power producing DE, and cannot respond to dynamic reactive power needs. Additional future work is to find a detailed methodology to identify the hidden benefit of DE for providing reactive power and the best way to allocate the benefit among customers, utilities, transmission companies or RTOs.

  11. Energy Storage and Reactive Power Compensator in a Large Wind Farm: Preprint

    SciTech Connect (OSTI)

    Muljadi, E.; Butterfield, C. P.; Yinger, R.; Romanowitz, H.

    2003-10-01

    The size of wind farm power systems is increasing, and so is the number of wind farms contributing to the power systems network. The size of wind turbines is also increasing--from less than 1 MW a few years ago to the 2- to 3-MW machines being installed today and the 5-MW machines under development. The interaction of the wind farm, energy storage, reactive power compensation, and the power system network is being investigated. Because the loads and the wind farms' output fluctuate during the day, the use of energy storage and reactive power compensation is ideal for the power system network. Energy storage and reactive power compensation can minimize real/reactive power imbalances that can affect the surrounding power system. In this paper, we will show how the contribution of wind farms affects the power distribution network and how the power distribution network, energy storage, and reactive power compensation interact when the wind changes. We will also investigate the size of the components in relation to each other and to the power system.

  12. Reactive power interconnection requirements for PV and wind plants : recommendations to NERC.

    SciTech Connect (OSTI)

    McDowell, Jason; Walling, Reigh; Peter, William; Von Engeln, Edi; Seymour, Eric; Nelson, Robert; Casey, Leo; Ellis, Abraham; Barker, Chris.

    2012-02-01

    Voltage on the North American bulk system is normally regulated by synchronous generators, which typically are provided with voltage schedules by transmission system operators. In the past, variable generation plants were considered very small relative to conventional generating units, and were characteristically either induction generator (wind) or line-commutated inverters (photovoltaic) that have no inherent voltage regulation capability. However, the growing level of penetration of non-traditional renewable generation - especially wind and solar - has led to the need for renewable generation to contribute more significantly to power system voltage control and reactive power capacity. Modern wind-turbine generators, and increasingly PV inverters as well, have considerable dynamic reactive power capability, which can be further enhanced with other reactive support equipment at the plant level to meet interconnection requirements. This report contains a set of recommendations to the North-America Electricity Reliability Corporation (NERC) as part of Task 1-3 (interconnection requirements) of the Integration of Variable Generation Task Force (IVGTF) work plan. The report discusses reactive capability of different generator technologies, reviews existing reactive power standards, and provides specific recommendations to improve existing interconnection standards.

  13. Reactive nitrogen, ozone and ozone production in the Arctic troposphere and the impact of stratosphere-troposphere exchange

    E-Print Network [OSTI]

    2011-01-01

    and Logan, J. A. : Atmospheric chemistry in the Arctic andIntroduction to Atmospheric Chemistry, Princeton University3.0 License. Atmospheric Chemistry and Physics Reactive

  14. Advancing reactive tracer methods for measuring thermal evolution in CO2-and water-based geothermal reservoirs

    Broader source: Energy.gov [DOE]

    DOE Geothermal Peer Review 2010 - Presentation. This project aims to develop reactive tracer method for monitoring thermal drawdown in enhanced geothermal systems.

  15. Performance Assessment and Recommendations for Rejuvenation of a Permeable Reactive Barrier: Cotter Corporation’s Cañon City, Colorado, Uranium Mill

    Broader source: Energy.gov [DOE]

    Performance Assessment and Recommendations for Rejuvenation of a Permeable Reactive Barrier: Cotter Corporation’s Canon City, Colorado, Uranium Mill (April 2005)

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

    SciTech Connect (OSTI)

    Kang, Qinjin [Los Alamos National Laboratory; Lichtner, Peter C [Los Alamos National Laboratory; Viswanathan, Hari S [Los Alamos National Laboratory; Abdel-fattah, Amr I [Los Alamos National Laboratory

    2009-01-01

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

  17. Methods and apparatuses for reagent delivery, reactive barrier formation, and pest control

    DOE Patents [OSTI]

    Gilmore, Tyler [Pasco, WA; Kaplan, Daniel I [Aiken, SC; Last, George [Richland, WA

    2002-07-09

    A reagent delivery method includes positioning reagent delivery tubes in contact with soil. The tubes can include a wall that is permeable to a soil-modifying reagent. The method further includes supplying the reagent in the tubes, diffusing the reagent through the permeable wall and into the soil, and chemically modifying a selected component of the soil using the reagent. The tubes can be in subsurface contact with soil, including groundwater, and can be placed with directional drilling equipment independent of groundwater well casings. The soil-modifying reagent includes a variety of gases, liquids, colloids, and adsorbents that may be reactive or non-reactive with soil components. The method may be used inter alia to form reactive barriers, control pests, and enhance soil nutrients for microbes and plants.

  18. Chemical reactivity of CVC and CVD SiC with UO2 at high temperatures

    SciTech Connect (OSTI)

    Silva, Chinthaka M; Katoh, Yutai; Voit, Stewart L; Snead, Lance Lewis

    2015-01-01

    Two types of silicon carbide (SiC) synthesized using two different vapor deposition processes were embedded in UO2 pellets and evaluated for their potential chemical reaction with UO2. While minor reactivity between chemical-vapor-composited (CVC) SiC and UO2 was observed at comparatively low temperatures of 1100 and 1300 C, chemical-vapor-deposited (CVD) SiC did not show any such reactivity, according to microstructural investigations. However, both CVD and CVC SiCs showed some reaction with UO2 at a higher temperature (1500 C). Elemental maps supported by phase maps obtained using electron backscatter diffraction indicated that CVC SiC was more reactive than CVD SiC at 1500 C. Furthermore, this investigation indicated the formation of uranium carbides and uranium silicide chemical phases such as UC, USi2, and U3Si2 as a result of SiC reaction with UO2.

  19. Reactivity worth measurements at the IPEN/MB-01 nuclear reactor

    SciTech Connect (OSTI)

    Pinto, Leticia Negrao; Santos, Adimir dos [Nuclear Engineering Center, Nuclear and Energy Research Institute- IPEN/CNEN-SP (Brazil)

    2013-05-06

    Researches that aim to improve the performance of neutron transport codes and quality of nuclear cross section databases are very important to increase the accuracy of simulations and the quality of the analysis and prediction of phenomena in the nuclear field. In this context, relevant experimental data such as reactivity worth measurements are needed. The objective of this work was to perform a series of experiments of reactivity worth measurements, using a digital reactivity meter developed at IPEN. The experiments employed small metallic and ceramic samples inserted in the central region of the core of the experimental IPEN/MB-01 reactor. The theoretical analysis was performed by the MCNP-5 reactor physics code, developed and maintained by Los Alamos National Laboratory, and the ENDF/B-VII.0 nuclear data library.

  20. Nanopore reactive adsorbents for the high-efficiency removal of waste species

    DOE Patents [OSTI]

    Yang, Arthur Jing-Min; Zhang, Yuehua

    2005-01-04

    A nanoporous reactive adsorbent incorporates a relatively small number of relatively larger reactant, e.g., metal, enzyme, etc., particles (10) forming a discontinuous or continuous phase interspersed among and surrounded by a continuous phase of smaller adsorbent particles (12) and connected interstitial pores (14) therebetween. The reactive adsorbent can effectively remove inorganic or organic impurities in a liquid by causing the liquid to flow through the adsorbent. For example, silver ions may be adsorbed by the adsorbent particles (12) and reduced to metallic silver by reducing metal, such as ions, as the reactant particles (10). The column can be regenerated by backwashing with the liquid effluent containing, for example, acetic acid.

  1. Chemical reactivity of potential ferrocyanide precipitates in Hanford tanks with nitrates and nitrites

    SciTech Connect (OSTI)

    Scheele, R.D.; Tingey, J.M.; Lilga, M.A.; Burger, L.L.; Hallen, R.T.

    1992-03-01

    Ferrocyanide-bearing wastes were produced at the Hanford Site during the 1950s. Safe storage of these wastes has recently drawn increased attention. As a result of these concerns, the Pacific Northwest Laboratory was chartered to investigate the chemical reactivity and explosivity of the ferrocyanide bearing wastes. WE have investigated the thermal sensitivity of synthetic wastes and ferrocyanides and observed oxidation at 130{degrees}C and explosions down to 295{degrees}C. Coupled with thermodynamic calculations, these thermal studies have also shown a dependence of the reactivity on the synthetic waste composition, which is dependent on the solids settling behavior.

  2. WSi2/Si Multilayer Sectioning by Reactive Ion Etching for Multilayer Laue Lens Fabrication

    SciTech Connect (OSTI)

    Bouet, N.; Conley, R.; Biancarosaa, J.; Divanc, R.; Macrander, A. T.

    2010-08-01

    SPIE Conference paper/talk presentation: Introduction: Reactive ion etching (RIE) has been employed in a wide range of fields such as semiconductor fabrication, MEMS (microelectromechanical systems), and refractive x-ray optics with a large investment put towards the development of deep RIE. Due to the intrinsic differing chemistries related to reactivity, ion bombardment, and passivation of materials, the development of recipes for new materials or material systems can require intense effort and resources. For silicon in particular, methods have been developed to provide reliable anisotropic profiles with good dimensional control and high aspect ratios1,2,3, high etch rates, and excellent material to mask etch selectivity...

  3. CASMO5/TSUNAMI-3D spent nuclear fuel reactivity uncertainty analysis

    SciTech Connect (OSTI)

    Ferrer, R.; Rhodes, J. [Studsvik Scandpower, Inc., 504 Shoup Ave., Idaho Falls, ID 83402 (United States); Smith, K. [Dept. of Nuclear Science and Engineering, Massachusetts Inst. of Technology, 77 Massachusetts Avenue, Cambridge, MA 02139 (United States)

    2012-07-01

    The CASMO5 lattice physics code is used in conjunction with the TSUNAMI-3D sequence in ORNL's SCALE 6 code system to estimate the uncertainties in hot-to-cold reactivity changes due to cross-section uncertainty for PWR assemblies at various burnup points. The goal of the analysis is to establish the multiplication factor uncertainty similarity between various fuel assemblies at different conditions in a quantifiable manner and to obtain a bound on the hot-to-cold reactivity uncertainty over the various assembly types and burnup attributed to fundamental cross-section data uncertainty. (authors)

  4. Reactivity of low-valent nickel-1,3-BIS (o-Diphenylphosphinophenylthio) propane (arom-PSSP) with small molecules 

    E-Print Network [OSTI]

    Kang, Jeehee

    1997-01-01

    The reactivity of NiO(arom-PSSP) with small molecules was studied in comparison to the reactivity of NIO(PSSP) which was studied by previous members of our group. The low-valent nickel atom in this arom-PSSP ligand exhibited ...

  5. Measuring catchment-scale chemical retardation using spectral analysis of reactive and passive chemical tracer time series

    E-Print Network [OSTI]

    Kirchner, James W.

    Measuring catchment-scale chemical retardation using spectral analysis of reactive and passive for Ecology and Hydrology, McLean Building, Wallingford, Oxon OX10 8BB, UK Received 28 August 2002; revised 14, carrying soluble substances with it. Some chemical constituents are non- reactive; these act as passive

  6. Reactivity and stability of platinum and platinum alloy catalysts toward the oxygen reduction reaction 

    E-Print Network [OSTI]

    Calvo, Sergio Rafael

    2009-05-15

    Density functional theory (DFT) is used to study the reactivity of Pt and Pt-M (M: Pd, Co, Ni, V, and Rh) alloy catalysts towards the oxygen reduction reaction (ORR) as a function of the alloy overall composition and surface atomic distribution...

  7. Test Automation of SafetyCritical Reactive Systems J. Peleska \\Lambda M. Siegel y

    E-Print Network [OSTI]

    Peleska, Jan - Fachbereich 3

    of tests is only possible on the basis of formal specifications with well­defined semantics. JustTest Automation of Safety­Critical Reactive Systems J. Peleska \\Lambda M. Siegel y \\Lambda: mis@informatik.uni­kiel.de Abstract This article focuses on test automation for safety

  8. Reaction localization and softening of texturally hardened mylonites in a reactivated fault zone, central Argentina

    E-Print Network [OSTI]

    Whitmeyer, Steven J.

    , central Argentina S. J. WHITMEYER1 * AND R. P. WINTSCH2 1 Department of Earth Sciences, Boston University, central Argentina, experienced multiple ductile deformation and faulting events that involved a variety of replacement reactions in a partially open system. Key words: Argentina; reaction localization; reactivation

  9. Anisotropic Shock Sensitivity of Cyclotrimethylene Trinitramine (RDX) from Compress-and-Shear Reactive Dynamics

    E-Print Network [OSTI]

    Goddard III, William A.

    by Dick1-3 that a large single crystal of pentaerythritol tetranitrate (PETN) displays dramat- ically involving interfaces, impurities, and defects. For example, for PETN, the pressure threshold of detonation shock sensitivity of PETN5 using the ReaxFF reactive force field.6 Our simulations showed dramatically

  10. Compositional Reactive Semantics of SystemC and Verification with RuleBase

    E-Print Network [OSTI]

    Gupta, Rajesh

    C. Keywords: SystemC, semantics, verification, model checking 1 Introduction System-level modeling using for verification of SystemC com- ponents, providing a powerful workbench for testing and verification. 2 OverviewCompositional Reactive Semantics of SystemC and Verification with RuleBase Rudrapatna K

  11. PEV-based Reactive Power Compensation for Wind DG Units: A Stackelberg Game Approach

    E-Print Network [OSTI]

    Mohsenian-Rad, Hamed

    a multiple timescale dispatch for smart grid with integrated wind power. Wu et al. investigated how to utilize wind power integration into the power grid when aggregators use a linear pricing scheme in [4. Keywords--Distributed generation, wind power integration, plug-in electric vehicles, reactive power

  12. Reactive power control of grid-connected wind farm based on adaptive dynamic programming

    E-Print Network [OSTI]

    He, Haibo

    Reactive power control of grid-connected wind farm based on adaptive dynamic programming Yufei Tang and integration with the grid. This controller can effectively dampen the oscillation of the wind farm system under grid fault. In general, there are mainly three kinds of wind power generators: squirrel

  13. Elucidating Reactivity Differences in Palladium-Catalyzed Coupling Processes: The Chemistry of Palladium Hydrides

    E-Print Network [OSTI]

    Fu, Gregory C.

    Elucidating Reactivity Differences in Palladium-Catalyzed Coupling Processes: The Chemistry of Palladium Hydrides Ivory D. Hills and Gregory C. Fu* Department of Chemistry, Massachusetts Institute recently been described in the develop- ment of highly active palladium-based catalysts for cross

  14. Complex waftmeter measurements in a reactive acoustic T. K. Stantonand R. T. Beyer

    E-Print Network [OSTI]

    Stanton, Tim

    acoustic plane wave can be described by the time average of the product of the instantaneous pressure p and the particle vetocity v: /=(dr). (1) In the case of a progressive wave, this equation is also the expressionComplex waftmeter measurements in a reactive acoustic field T. K. Stantonand R. T. Beyer

  15. TO APPEAR IN IEEE TRANSACTION ON POWER SYSTEMS 1 Effect of Reactive Power Limit Modeling on

    E-Print Network [OSTI]

    Cañizares, Claudio A.

    , generator capability curves, maximum loadability, voltage stability, electrical energy markets, reactive such as shunt capacitors and Flexible AC Transmission System (FACTS) controllers (e.g. Static Var Compensators test systems, namely, the CIGRE-32 benchmark system and a 1211-bus dispatch model of a European network

  16. Human Transaldolase and Cross-Reactive Viral Epitopes Identified by Autoantibodies of Multiple Sclerosis Patients1

    E-Print Network [OSTI]

    Vajda, Sandor

    Banki,* and Andras Perl2 * Multiple sclerosis is mediated by an autoimmune process causing selectiveHuman Transaldolase and Cross-Reactive Viral Epitopes Identified by Autoantibodies of Multiple Sclerosis Patients1 Maria Esposito,* Vijay Venkatesh,* Laszlo Otvos, Zhiping Weng,§ Sandor Vajda,§ Katalin

  17. Passive Ozone Control Through Use of Reactive Indoor Wall and Ceiling Materials

    E-Print Network [OSTI]

    Siegel, Jeffrey

    Passive Ozone Control Through Use of Reactive Indoor Wall and Ceiling Materials Paper # 715 Donna A) Austin, TX 78758, USA ABSTRACT Most ozone exposure occurs indoors even though some surfaces consume ozone and reduce its concentration relative to outdoors. Ozone consumption often results in emissions of secondary

  18. Reactivity Controlled Compression Ignition (RCCI) Combustion on a Multi-Cylinder Light-Duty Diesel Engine

    SciTech Connect (OSTI)

    Curran, Scott; Hanson, Reed M; Wagner, Robert M

    2012-01-01

    Reactivity controlled compression ignition is a low-temperature combustion technique that has been shown, both in computational fluid dynamics modeling and single-cylinder experiments, to obtain diesel-like efficiency or better with ultra-low nitrogen oxide and soot emissions, while operating primarily on gasoline-like fuels. This paper investigates reactivity controlled compression ignition operation on a four-cylinder light-duty diesel engine with production-viable hardware using conventional gasoline and diesel fuel. Experimental results are presented over a wide speed and load range using a systematic approach for achieving successful steady-state reactivity controlled compression ignition combustion. The results demonstrated diesel-like efficiency or better over the operating range explored with low engine-out nitrogen oxide and soot emissions. A peak brake thermal efficiency of 39.0% was demonstrated for 2600 r/min and 6.9 bar brake mean effective pressure with nitrogen oxide emissions reduced by an order of magnitude compared to conventional diesel combustion operation. Reactivity controlled compression ignition emissions and efficiency results are compared to conventional diesel combustion operation on the same engine.

  19. Aalborg Universitet Autonomous Active and Reactive Power Distribution Strategy in Islanded Microgrids

    E-Print Network [OSTI]

    Vasquez, Juan Carlos

    Microgrids Wu, Dan; Tang, Fen; Guerrero, Josep M.; Quintero, Juan Carlos Vasquez; Chen, Guoliang; Sun, Libing). Autonomous Active and Reactive Power Distribution Strategy in Islanded Microgrids. In Proceedings of the 29th strategy in islanded microgrids," IEEE Applied Power Electronics Conference and Exposition, IEEE APEC 2014

  20. SPACE WEATHER AND THE INCIDENCE OF REACTIVE "OFF-COST" OPERATIONS IN THE PJM POWER GRID

    E-Print Network [OSTI]

    Schrijver, Karel

    space weather impacts the electricity market in the PJM power grid. The starting point of this paperSPACE WEATHER AND THE INCIDENCE OF REACTIVE "OFF-COST" OPERATIONS IN THE PJM POWER GRID 7.6 Kevin F the price of electricity in the PJM power grid. In this paper we examine one of the mechanisms by which

  1. Reactive barrier technologies for treatment of contaminated groundwater at Rocky Flats

    SciTech Connect (OSTI)

    Marozas, D.C.; Bujewski, G.E.; Castaneda, N.

    1997-12-31

    The U.S. Department of Energy (DOE) Office of Science and Technology Subsurface Contaminants Focus Area is supporting the investigation of reactive barrier technologies to mitigate the risks associated with mixed organic/radioactive waste at several DOE sites. Groundwater from a small contaminated plume at the Rocky Flats Environmental Technology Site (RFETS) is being used to evaluate passive reactive material treatment. Permeable reactive barriers which intercept contaminants and destroy the VOC component while containing radionuclides are attractive for a number of reasons relating to public and regulatory acceptance. In situ treatment keeps contaminants away from the earth`s surface, there is no above-ground treatment equipment that could expose workers and the public and operational costs are expected to be lower than currently used technologies. This paper will present results from preliminary site characterization and in-field small-scale column testing of reactive materials at RFETS. Successful demonstration is expected to lead to full-scale implementation of the technology at several DOE sites, including Rocky Flats.

  2. Rate constants from the reaction path Hamiltonian. I. Reactive flux simulations for dynamically correct rates

    E-Print Network [OSTI]

    Bell, Alexis T.

    As ab initio electronic structure calculations become more accurate, inherent sources of error, facilitate reactive flux calculations. As an example we compute the dynamically corrected rate constant on which the reaction occurs. A large number of electronic structure theo- ries are available

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

    SciTech Connect (OSTI)

    Pinto, Letícia Negrão; Gonnelli, Eduardo; Santos, Adimir dos

    2014-11-11

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

  4. Bayesian Monte Carlo analysis applied to regional-scale inverse emission modeling for reactive trace gases

    E-Print Network [OSTI]

    Menut, Laurent

    the a priori uncertainties in anthropogenic NOx and volatile organic compounds (VOC) emissions: (1) The a posteriori probability density function (pdf) for NOx emissions is not modified in its averageBayesian Monte Carlo analysis applied to regional-scale inverse emission modeling for reactive

  5. Design of Extraction Column Methanol Recovery System for the TAME Reactive Distillation Process

    E-Print Network [OSTI]

    Al-Arfaj, Muhammad A.

    Design of Extraction Column Methanol Recovery System for the TAME Reactive Distillation Process, Dhahran, 31261, Saudi Arabia Abstract This paper studies the synthesis and the design of methanol recovery that methanol could be recovered completely from the hydrocarbon when 5 equilibrium trays in the extraction

  6. The Reactivity Limit for Methanol Oxidation on Platinum/Ruthenium Catalysts

    E-Print Network [OSTI]

    The Reactivity Limit for Methanol Oxidation on Platinum/Ruthenium Catalysts A. Wieckowski 0.5 1.0 1.5 2.0 2.5 3.0 Pt/Ru Decorated (UIUC) PtRu Alloy (JM) E = 0.4 V Oxidation in 0.5 M Methanol

  7. Reactivity Boundaries to Separate the Fate of a Chemical Reaction Associated with Multiple Saddles

    E-Print Network [OSTI]

    Yutaka Nagahata; Hiroshi Teramoto; Chun-Biu Li; Shinnosuke Kawai; Tamiki Komatsuzaki

    2013-08-15

    Reactivity boundaries that divide the origin and destination of trajectories are crucial of importance to reveal the mechanism of reactions, which was recently found to exist robustly even at high energies for index-one saddles [Phys. Rev. Lett. 105, 048304 (2010)]. Here we revisit the concept of the reactivity boundary and propose a more general definition that can involve a single reaction associated with a bottleneck made up of higher index saddles and/or several saddle points with different indices, where the normal form theory, based on expansion around a single stationary point, does not work. We numerically demonstrate the reactivity boundary by using a reduced model system of the $H^+_5$ cation where the proton exchange reaction takes place through a bottleneck made up of two index-two saddle points and two index-one saddle points. The cross section of the reactivity boundary in the reactant region of the phase space reveals which initial conditions are effective in making the reaction happen, and thus sheds light on the reaction mechanism.

  8. Adaptive Accelerated ReaxFF Reactive Dynamics with Validation from Simulating Hydrogen Combustion

    E-Print Network [OSTI]

    Goddard III, William A.

    Adaptive Accelerated ReaxFF Reactive Dynamics with Validation from Simulating Hydrogen Combustion concept (BB), which we validate here for describing hydrogen combustion. The bond order, undercoordination determined the detailed sequence of reactions for hydrogen combustion with and without the BB. We validate

  9. Styrene Clusters in a Supersonic Jet: Reactive and Nonreactive Systems S. Kendler and Y. Haas*

    E-Print Network [OSTI]

    Haas, Yehuda

    Styrene Clusters in a Supersonic Jet: Reactive and Nonreactive Systems S. Kendler and Y. Haas of styrene with several atoms and small molecules were prepared and studied in a supersonic jet by laser) by recording the excess energy at which fluorescence from the cluster disappears and styrene fluorescence

  10. Benchmarking a Visual-Basic based multi-component one-dimensional reactive transport modeling tool

    E-Print Network [OSTI]

    Clement, Prabhakar

    Benchmarking a Visual-Basic based multi-component one-dimensional reactive transport modeling tool Jagadish Torlapati 1 , T. Prabhakar Clement n Department of Civil Engineering, Auburn University, Auburn transport Bioremediation Geochemical transport Numerical model a b s t r a c t We present the details

  11. THE EFFECT OF WATER TABLE ELEVATION ON ACID MINE DRAINAGE FROM REACTIVE TAILINGS

    E-Print Network [OSTI]

    Aubertin, Michel

    THE EFFECT OF WATER TABLE ELEVATION ON ACID MINE DRAINAGE FROM REACTIVE TAILINGS: A LABORATORY table can be very effective in reducing the production of acid mine drainage. ______________________ 1 Paper presented at the 7th International Conference on Acid Rock Drainage (ICARD), March 26-30, 2006, St

  12. High Performance Computations of Subsurface Reactive Transport Processes at the Pore Scale

    E-Print Network [OSTI]

    such as carbon sequestration drive the geochemistry of porous media far from equilibrium in relatively short time in reservoir scale models. In the DOE Energy Frontier Research Center for Nanoscale Control of Geologic Carbon such as reactive surface area or reaction rates as they affect CO2 sequestration, with an objective of upscaling

  13. Modeling of Hydrogen Storage Materials: A Reactive Force Field for NaH

    E-Print Network [OSTI]

    Goddard III, William A.

    range transport mechanism of Al during the dissociation process. Briefly, the conventional (de to accurately predict the dynamical and reactive processes in hydrocarbons [2], sihcon/sihcon oxides [3 for hydrocarbons[5], ReaxFF has been successfully applied to study Si/Si02 interfaces[3], MgH2 systems and Al

  14. Development and Validation of ReaxFF Reactive Force Field for Hydrocarbon Chemistry Catalyzed by Nickel

    E-Print Network [OSTI]

    Goddard III, William A.

    nickel has also been used extensively to catalyze the formation and growth of carbon nanotubes from by Nickel Jonathan E. Mueller, Adri C. T. van Duin, and William A. Goddard III*, Materials and Process reactions catalyzed by nickel surfaces and particles using reactive molecular dynamics on thousands of atoms

  15. Synthesis and reactivity of molybdenum organometallic complexes supported by amide ligands

    E-Print Network [OSTI]

    Hock, Adam S. (Adam Scott)

    2007-01-01

    Chapter 1. Synthesis and Reactivity of Molybdenum Alkyl Complexes Supported by a Diamidoamine Ligand. The synthesis of a new diamidoamine ligand, CH3N[CH2CH2NH(3-(CF3)C6H4)]2 (H2L) is reported. Molybdenum complexes of the ...

  16. Design of a permeable reactive barrier in situ remediation system, Vermont site

    SciTech Connect (OSTI)

    Hayes, J.J. [EMCON, Burlington, VT (United States); Marcus, D.L. [EMCON, Burbank, CA (United States)

    1997-12-31

    EMCON designed a Permeable Reactive Barrier (PRB) for a site in Vermont to passively remediate in situ groundwater impacted with chlorinated volatile organic compounds (CVOCs). The PRB was selected over more conventional remediation approaches because it is a potentially low maintenance and long lasting solution for containment of groundwater impacts. Iron media are used as an agent to produce reductive dehalogenation reactions that break down the CVOCs. At the Vermont site, impacted groundwater is found from approximately 1.3 to 4.3 meters (4 to 14 feet) below ground surface in the uppermost aquifer, which is underlain by a silty clay aquitard. These are virtually optimum conditions for the implementation of this kind of technology. Effective design of the PRB required site specific hydrogeologic, geochemical, and geotechnical data, a substantial amount that was already available and some which was collected during the recent Corrective Action Feasibility Investigation (CAFI). Most PRBs have been constructed using sheet pilings to shore excavations backfilled by iron filings. On the Vermont project, continuous trenching is proposed to install HDPE sheeting for the funnel and alternative reactive media may be used in the reactive gates. The Funnel and Gate{trademark} system is being designed to regulate flow velocity through the gate to yield critical contact time between the CVOCs and the reactive media.

  17. Uranium Tris-aryloxide Derivatives Supported by Triazacyclononane: Engendering a Reactive Uranium(III)

    E-Print Network [OSTI]

    Meyer, Karsten

    Uranium Tris-aryloxide Derivatives Supported by Triazacyclononane: Engendering a Reactive Uranium-mail: kmeyer@ucsd.edu Abstract: The synthesis and spectroscopic characterization of the mononuclear uranium complex [((ArO)3tacn)UIII (NCCH3)] is reported. The uranium(III) complex reacts with organic azides

  18. ADVANCING REACTIVE TRACER METHODS FOR MONITORING THERMAL DRAWDOWN IN GEOTHERMAL ENHANCED GEOTHERMAL RESERVOIRS

    SciTech Connect (OSTI)

    Mitchell A. Plummer; Carl D. Palmer; Earl D. Mattson; George D. Redden; Laurence C. Hull

    2010-10-01

    Reactive tracers have long been considered a possible means of measuring thermal drawdown in a geothermal system, before significant cooling occurs at the extraction well. Here, we examine the sensitivity of the proposed method to evaluate reservoir cooling and demonstrate that while the sensitivity of the method as generally proposed is low, it may be practical under certain conditions.

  19. A Dynamic Model for Induced Reactivation of Latent Virus G.M. Kepler1,5

    E-Print Network [OSTI]

    that inducing agents such as Tetradecanoyl Phorbol Acetate (TPA), sodium butyrate, and other short chain fatty is applied to the reactivation of latent KSHV in BCBL-1 cell cultures with butyrate as the inducing agent acids (SFAs) can induce lytic replication of Kaposi's Sarcoma-associated Herpes virus (KSHV) and Epstein

  20. EV/PHEV Bidirectional Charger Assessment for V2G Reactive Power Operation

    SciTech Connect (OSTI)

    Kisacikoglu, Mithat C; Ozpineci, Burak; Tolbert, Leon M

    2013-01-01

    This paper presents a summary of the available single-phase ac-dc topologies used for EV/PHEV, level-1 and -2 on-board charging and for providing reactive power support to the utility grid. It presents the design motives of single-phase on-board chargers in detail and makes a classification of the chargers based on their future vehicle-to-grid usage. The pros and cons of each different ac-dc topology are discussed to shed light on their suitability for reactive power support. This paper also presents and analyzes the differences between charging-only operation and capacitive reactive power operation that results in increased demand from the dc-link capacitor (more charge/discharge cycles and increased second harmonic ripple current). Moreover, battery state of charge is spared from losses during reactive power operation, but converter output power must be limited below its rated power rating to have the same stress on the dc-link capacitor.

  1. A second-generation reactive empirical bond order (REBO) potential energy expression for hydrocarbons

    E-Print Network [OSTI]

    Zhigilei, Leonid V.

    for hydrocarbons This article has been downloaded from IOPscience. Please scroll down to see the full text article-generation reactive empirical bond order (REBO) potential energy expression for hydrocarbons Donald W Brenner1 , Olga, lengths, and force constants for hydrocarbon molecules, as well as elastic properties, interstitial defect

  2. 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.

  3. Overview on backfill materials and permeable reactive barriers for nuclear waste disposal facilities.

    SciTech Connect (OSTI)

    Moore, Robert Charles; Hasan, Ahmed Ali Mohamed; Holt, Kathleen Caroline; Hasan, Mahmoud A. (Egyptian Atomic Energy Authority, Cairo, Egypt)

    2003-10-01

    A great deal of money and effort has been spent on environmental restoration during the past several decades. Significant progress has been made on improving air quality, cleaning up and preventing leaching from dumps and landfills, and improving surface water quality. However, significant challenges still exist in all of these areas. Among the more difficult and expensive environmental problems, and often the primary factor limiting closure of contaminated sites following surface restoration, is contamination of ground water. The most common technology used for remediating ground water is surface treatment where the water is pumped to the surface, treated and pumped back into the ground or released at a nearby river or lake. Although still useful for certain remediation scenarios, the limitations of pump-and-treat technologies have recently been recognized, along with the need for innovative solutions to ground-water contamination. Even with the current challenges we face there is a strong need to create geological repository systems for dispose of radioactive wastes containing long-lived radionuclides. The potential contamination of groundwater is a major factor in selection of a radioactive waste disposal site, design of the facility, future scenarios such as human intrusion into the repository and possible need for retrieving the radioactive material, and the use of backfills designed to keep the radionuclides immobile. One of the most promising technologies for remediation of contaminated sites and design of radioactive waste repositories is the use of permeable reactive barriers (PRBs). PRBs are constructed of reactive material(s) to intercept and remove the radionuclides from the water and decontaminate the plumes in situ. The concept of PRBs is relatively simple. The reactive material(s) is placed in the subsurface between the waste or contaminated area and the groundwater. Reactive materials used thus far in practice and research include zero valent iron, hydroxyapatite, magnesium oxide, and others. As the contaminant moves through the reactive material, the contaminant is either sorbed by the reactive material or chemically reacts with the material to form a less harmful substance. Because of the high risk associated with failure of a geological repository for nuclear waste, most nations favor a near-field multibarrier engineered system using backfill materials to prevent release of radionuclides into the surrounding groundwater.

  4. Evaluation of a permeable reactive barrier technology for use at Rocky Flats Environmental Technology Site (RFETS)

    SciTech Connect (OSTI)

    DWYER,BRIAN P.

    2000-01-01

    Three reactive materials were evaluated at laboratory scale to identify the optimum treatment reagent for use in a Permeable Reactive Barrier Treatment System at Rocky Flats Environmental Technology Site (RFETS). The contaminants of concern (COCS) are uranium, TCE, PCE, carbon tetrachloride, americium, and vinyl chloride. The three reactive media evaluated included high carbon steel iron filings, an iron-silica alloy in the form of a foam aggregate, and a peculiar humic acid based sorbent (Humasorb from Arctech) mixed with sand. Each material was tested in the laboratory at column scale using simulated site water. All three materials showed promise for the 903 Mound Site however, the iron filings were determined to be the least expensive media. In order to validate the laboratory results, the iron filings were further tested at a pilot scale (field columns) using actual site water. Pilot test results were similar to laboratory results; consequently, the iron filings were chosen for the fill-scale demonstration of the reactive barrier technology. Additional design parameters including saturated hydraulic conductivity, treatment residence time, and head loss across the media were also determined and provided to the design team in support of the final design. The final design was completed by the Corps of Engineers in 1997 and the system was constructed in the summer of 1998. The treatment system began fill operation in December, 1998 and despite a few problems has been operational since. Results to date are consistent with the lab and pilot scale findings, i.e., complete removal of the contaminants of concern (COCs) prior to discharge to meet RFETS cleanup requirements. Furthermore, it is fair to say at this point in time that laboratory developed design parameters for the reactive barrier technology are sufficient for fuel scale design; however,the treatment system longevity and the long-term fate of the contaminants are questions that remain unanswered. This project along with others such as the Durango, CO and Monticello, UT reactive barriers will provide the data to determine the long-term effectiveness and return on investment (ROI) for this technology for comparison to the baseline pump and treat.

  5. Experimental investigation of piston heat transfer under conventional diesel and reactivity-controlled compression ignition combustion regimes

    SciTech Connect (OSTI)

    Splitter, Derek A [ORNL; Hendricks, Terry Lee [Sandia National Laboratories (SNL); Ghandhi, Jaal B [University of Wisconsin

    2014-01-01

    The piston of a heavy-duty single-cylinder research engine was instrumented with 11 fast-response surface thermocouples, and a commercial wireless telemetry system was used to transmit the signals from the moving piston. The raw thermocouple data were processed using an inverse heat conduction method that included Tikhonov regularization to recover transient heat flux. By applying symmetry, the data were compiled to provide time-resolved spatial maps of the piston heat flux and surface temperature. A detailed comparison was made between conventional diesel combustion and reactivity-controlled compression ignition combustion operations at matched conditions of load, speed, boost pressure, and combustion phasing. The integrated piston heat transfer was found to be 24% lower, and the mean surface temperature was 25 C lower for reactivity-controlled compression ignition operation as compared to conventional diesel combustion, in spite of the higher peak heat release rate. Lower integrated piston heat transfer for reactivity-controlled compression ignition was found over all the operating conditions tested. The results showed that increasing speed decreased the integrated heat transfer for conventional diesel combustion and reactivity-controlled compression ignition. The effect of the start of injection timing was found to strongly influence conventional diesel combustion heat flux, but had a negligible effect on reactivity-controlled compression ignition heat flux, even in the limit of near top dead center high-reactivity fuel injection timings. These results suggest that the role of the high-reactivity fuel injection does not significantly affect the thermal environment even though it is important for controlling the ignition timing and heat release rate shape. The integrated heat transfer and the dynamic surface heat flux were found to be insensitive to changes in boost pressure for both conventional diesel combustion and reactivity-controlled compression ignition. However, for reactivity-controlled compression ignition, the mean surface temperature increased with changes in boost suggesting that equivalence ratio affects steady-state heat transfer.

  6. Effect of limestone reactivity on the digestibility of nutrients in sorghum based diets fed to lactating Holstein cows 

    E-Print Network [OSTI]

    Malasri, Kriangchitt Banphabutr

    1981-01-01

    University, for providing limestone reactivity data, to Mr. Gary Morris of the Iowa Limestone Company for pro- viding limestones and to Dr. Charles E. Gates, Mr. Phil Spector, Mr. Angel A. Custodio and Dr. H. Joseph Newton for help in statistical design...-concentrate-WCS ratio on a dry basis. The concentrate composition is in Table 1. Table 2 shows different reactivities of limestone mixed in the concentrates. According to the data on reactivity measurements in Table 2, limestone 2 is the best, lime- -stone 1...

  7. DIESEL OXIDATION CATALYST CONTROL OF HYDROCARBON AEROSOLS FROM REACTIVITY CONTROLLED COMPRESSION IGNITION COMBUSTION

    SciTech Connect (OSTI)

    Prikhodko, Vitaly Y; Parks, II, James E; Barone, Teresa L; Curran, Scott; Cho, Kukwon; Lewis Sr, Samuel Arthur; Storey, John Morse; Wagner, Robert M

    2011-01-01

    Reactivity Controlled Compression Ignition (RCCI) is a novel combustion process that utilizes two fuels with different reactivity to stage and control combustion and enable homogeneous combustion. The technique has been proven experimentally in previous work with diesel and gasoline fuels; low NOx emissions and high efficiencies were observed from RCCI in comparison to conventional combustion. In previous studies on a multi-cylinder engine, particulate matter (PM) emission measurements from RCCI suggested that hydrocarbons were a major component of the PM mass. Further studies were conducted on this multi-cylinder engine platform to characterize the PM emissions in more detail and understand the effect of a diesel oxidation catalyst (DOC) on the hydrocarbon-dominated PM emissions. Results from the study show that the DOC can effectively reduce the hydrocarbon emissions as well as the overall PM from RCCI combustion. The bimodal size distribution of PM from RCCI is altered by the DOC which reduces the smaller mode 10 nm size particles.

  8. Apparatus and method for atmospheric pressure reactive atom plasma processing for shaping of damage free surfaces

    DOE Patents [OSTI]

    Carr; Jeffrey W. (Livermore, CA)

    2009-03-31

    Fabrication apparatus and methods are disclosed for shaping and finishing difficult materials with no subsurface damage. The apparatus and methods use an atmospheric pressure mixed gas plasma discharge as a sub-aperture polisher of, for example, fused silica and single crystal silicon, silicon carbide and other materials. In one example, workpiece material is removed at the atomic level through reaction with fluorine atoms. In this example, these reactive species are produced by a noble gas plasma from trace constituent fluorocarbons or other fluorine containing gases added to the host argon matrix. The products of the reaction are gas phase compounds that flow from the surface of the workpiece, exposing fresh material to the etchant without condensation and redeposition on the newly created surface. The discharge provides a stable and predictable distribution of reactive species permitting the generation of a predetermined surface by translating the plasma across the workpiece along a calculated path.

  9. Plasma chemistry fluctuations in a reactive arc plasma in the presence of magnetic fields

    SciTech Connect (OSTI)

    Rosen, J.; Anders, A.; Schneider, J.M.

    2002-01-13

    The effect of a magnetic field on the plasma chemistry and pulse-to-pulse fluctuations of cathodic arc ion charge state distributions in a reactive environment were investigated. The plasma composition was measured by time-of-flight charge-to-mass spectrometry. The fluctuation of the concentrations of Al+, Al2+ and Al3+ was found to increase with an increasing magnetic field strength. We suggest that this is caused by magnetic field dependent fluctuations of the energy input into cathode spots as seen through fluctuations of the cathode potential. These results are qualitatively consistent with the model of partial local Saha equilibrium and are of fundamental importance for the evolution of the structure of films deposited by reactive cathodic arc deposition.

  10. Method of extruding and packaging a thin sample of reactive material, including forming the extrusion die

    DOE Patents [OSTI]

    Lewandowski, E.F.; Peterson, L.L.

    1981-11-30

    This invention teaches a method of cutting a narrow slot in an extrusion die with an electrical discharge machine by first drilling spaced holes at the ends of where the slot will be, whereby the oil can flow through the holes and slot to flush the material eroded away as the slot is being cut. The invention further teaches a method of extruding a very thin ribbon of solid highly reactive material such as lithium or sodium through the die in an inert atmosphere of nitrogen, argon, or the like as in a glovebox. The invention further teaches a method of stamping out sample discs from the ribbon and of packaging each disc by sandwiching it between two aluminum sheets and cold welding the sheets together along an annular seam beyond the outer periphery of the disc. This provides a sample of high purity reactive material that can have a long shelf life.

  11. Method of extruding and packaging a thin sample of reactive material including forming the extrusion die

    DOE Patents [OSTI]

    Lewandowski, Edward F. (Westmont, IL); Peterson, Leroy L. (Joliet, IL)

    1985-01-01

    This invention teaches a method of cutting a narrow slot in an extrusion die with an electrical discharge machine by first drilling spaced holes at the ends of where the slot will be, whereby the oil can flow through the holes and slot to flush the material eroded away as the slot is being cut. The invention further teaches a method of extruding a very thin ribbon of solid highly reactive material such as lithium or sodium through the die in an inert atmosphere of nitrogen, argon or the like as in a glovebox. The invention further teaches a method of stamping out sample discs from the ribbon and of packaging each disc by sandwiching it between two aluminum sheets and cold welding the sheets together along an annular seam beyond the outer periphery of the disc. This provides a sample of high purity reactive material that can have a long shelf life.

  12. Hydrogen absorption characteristics of amorphous LaNi[sub 5. 0] films prepared by reactive sputtering

    SciTech Connect (OSTI)

    Sakaguchi, H.; Tsujimoto, T.; Adachi, Ginya (Osaka University, Suita (Japan))

    1993-01-01

    Amorphous LaNi[sub 5] thin films are expected to be one of the promising materials for use in hydrogen separation and battery electrodes, because the durability of the films is great in regard to the hydrogen absorption-desorption cycling process and the films have excellent resistance to harmful impurities in the hydrogen gas in comparison with the crystalline bulk material. An amorphous LaNi[sub 5.0] film having high hydrogen density and low hydrogen-induced stress was obtained by means of a reactive sputtering method using an Ar-H[sub 2] gas mixture. Pressure-composition isotherms show that the amount of hydrogen (H/LaNi[sub 5.0]) taken up by a formula weight of LaNi[sub 5.0] is about 1.5 times larger for the reactive sputtered film than for the conventional sputtered film prepared by using Ar gas. 18 refs., 1 fig, 1 tabs.

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

    DOE Patents [OSTI]

    Schultz, Peter (Oakland, CA)

    1994-01-01

    Catalytic and reactive polypeptides include a binding site specific for a reactant or reactive intermediate involved in a chemical reaction of interest. The polypeptides further include at least one active functionality proximate the binding site, where the active functionality is capable of catalyzing or chemically participating in the chemical reaction in such a way that the reaction rate is enhanced. Methods for preparing the catalytic peptides include chemical synthesis, site-directed mutagenesis of antibody and enzyme genes, covalent attachment of the functionalities through particular amino acid side chains, and the like. This invention was made with Government support under Grant Contract No. AI-24695, awarded by the Department of health and Human Services, and under Grant Contract No. N 00014-87-K-0256, awarded by the Office of Naval Research. The Government has certain rights in this invention.

  14. Chapter 7.22 SPTS ICP-SR Deep Reactive Ion Etch

    E-Print Network [OSTI]

    Healy, Kevin Edward

    Chapter 7.22 SPTS ICP-SR Deep Reactive Ion Etch (sts2) (584) 1.0 Equipment Purpose 1.1 The STS2 ICP to achieve high aspect ratios. The system can be used for deep Si trench etching of a single 6-inch (150 mm) substrate. The process chamber is configured for deep Si trench etching. The plasma is inductively coupled

  15. Reactive Power Laboratory: Synchronous Condenser Testing&Modeling Results - Interim Report

    SciTech Connect (OSTI)

    Henry, SD

    2005-09-27

    The subject report documents the work carried out by Oak Ridge National Laboratory (ORNL) during months 5-7 (May-July 2005) of a multi-year research project. The project has the overall goal of developing methods of incorporating distributed energy (DE) that can produce reactive power locally and for injecting into the distribution system. The objective for this new type of DE is to be able to provide voltage regulation and dynamic reactive power reserves without the use of extensive communication and control systems. The work performed over this three-month period focused on four aspects of the overall objective: (1) characterization of a 250HP (about 300KVAr) synchronous condenser (SC) via test runs at the ORNL Reactive Power Laboratory; (2) development of a data acquisition scheme for collecting the necessary voltage, current and power readings at the synchronous condenser and on the distribution system; (3) development of algorithms for analyzing raw test data from the various test runs; and (4) validation of a steady-state model for the synchronous condenser via the use of a commercial software package to study its effects on the ORNL 13.8/2.4kV distribution network.

  16. In situ formation of magnetite reactive barriers in soil for waste stabilization

    DOE Patents [OSTI]

    Moore, Robert C. (Edgewood, NM)

    2003-01-01

    Reactive barriers containing magnetite and methods for making magnetite reactive barriers in situ in soil for sequestering soil contaminants including actinides and heavy metals, organic materials, iodine and technetium are disclosed. According to one embodiment, a two-step reagent introduction into soil takes place. In the first step, free oxygen is removed from the soil by separately injecting into the soil aqueous solutions of iron (II) salt, for example FeCl.sub.2, and base, for example NaOH or NH.sub.3 in about a 1:1 volume ratio. Then, in the second step, similar reagents are injected a second time (however, according to about a 1:2 volume ratio, iron to salt) to form magnetite. The magnetite formation is facilitated, in part, due to slow intrusion of oxygen into the soil from the surface. The invention techniques are suited to injection of reagents into soil in proximity to a contamination plume or source allowing in situ formation of the reactive barrier at the location of waste or hazardous material. Mixing of reagents to form. precipitate is mediated and enhanced through movement of reagents in soil as a result of phenomena including capillary action, movement of groundwater, soil washing and reagent injection pressure.

  17. Interactions between ingredients in IMX-101: Reactive Chemical Processes Control Insensitive Munitions Properties

    SciTech Connect (OSTI)

    Maharrey, Sean P.; Wiese-Smith, Deneille; Highley, Aaron M.; Behrens, Richard; Kay, Jeffrey J

    2014-03-01

    Simultaneous Thermogravimetric Modulated Beam Mass Spectrometry (STMBMS) measurements have been conducted on a new Insensitive Munitions (IM) formulation. IMX-101 is the first explosive to be fully IM qualified under new NATO STANAG guidelines for fielded munitions. The formulation uses dinitroanisole (DNAN) as a new melt cast material to replace TNT, and shows excellent IM performance when formulated with other energetic ingredients. The scope of this work is to explain this superior IM performance by investigating the reactive processes occurring in the material when subjected to a well-controlled thermal environment. The dominant reactive processes observed were a series of complex chemical interactions between the three main ingredients (DNAN, NQ, and NTO) that occurs well below the onset of the normal decomposition process of any of the individual ingredients. This process shifts the thermal response of the formulations to a much lower temperature, where the kinetically controlled reaction processes are much slower. This low temperature shift has the effect of allowing the reactions to consume the reactive solids (NQ, NTO) well before the reaction rates increase and reach thermal runaway, resulting in a relatively benign response to the external stimuli. The main findings on the interaction processes are presented.

  18. Effect of temperature on quantitative structure/reactivity correlations for hydrocracking polynuclear aromatics

    SciTech Connect (OSTI)

    Korre, S.C.; Klein, M.T. [Univ. of Delaware, Newark, DE (United States); Quann, R.J. [Mobil Research and Development Corp., Paulsboro, NJ (United States)

    1995-12-31

    The hydrocracking reactions of phenanthrene and naphthalene were studied over a NiW/USY catalyst in a 1L batch autoclave at 68.1 bar hydrogen partial pressure, in the temperature interval 300{degrees}C-370{degrees}C. Parameter estimation to their hydrocracking pathways using a Langmuir-Hinshelwood-Hougen-Watson rate expression led to quantitative reaction networks. The variation in temperature offered information on 576 Arrhenius and van`t`Hoff parameters for rate, equilibrium, and adsorption constants. The number of parameters was reduced by the development of temperature-independent structure/reactivity correlations. A positive correlation was revealed between activation energies and pre-exponential factors for both isomerization and ring opening reactions. A compensation correlation for the calculation of standard isomerization and ring opening entropies was formulated based on the corresponding standard enthalpies. A total of 576 rate, equilibrium and adsorption parameters were thus summarized into just 18 Quantitative Structure/Reactivity Correlations parameters. Such correlations may provide a reasonable first-order estimate of parameters for molecules with known structure but unknown reactivity, with the use of simple semi-empirical molecular orbital calculations.

  19. Enhanced durability and reactivity for zinc ferrite desulfurization sorbent. Quarterly technical progress report 4, July--September 1987

    SciTech Connect (OSTI)

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

    1987-10-27

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

  20. Fabrication of planar quantum magnetic disk structure using electron beam lithography, reactive ion etching, and chemical mechanical polishing

    E-Print Network [OSTI]

    's size and location, and reactive ion etching was used to form an SiO2 template. Nickel electroplating an electroplating process for fabricating nanoscale magnetic structures.2 In this article, we will present a QMD

  1. Comparison of Conventional Diesel and Reactivity Controlled Compression Ignition (RCCI) Combustion in a Light-Duty Engine

    Broader source: Energy.gov [DOE]

    CFD modeling was used to compare conventional diesel and dual-fuel Reactivity Controlled Compression Ignition combustion at US Tier 2 Bin 5 NOx levels, while accounting for Diesel Exhaust Fluid needed to meet NOx constraints with aftertreatment.

  2. Reactivity Boundaries to Separate the Fate of a Chemical Reaction Associated with an Index-two saddle

    E-Print Network [OSTI]

    Yutaka Nagahata; Hiroshi Teramoto; Chun-Biu Li; Shinnosuke Kawai; Tamiki Komatsuzaki

    2013-05-16

    Reactivity boundaries that divide the destination and the origin of trajectories are of crucial importance to reveal the mechanism of reactions. We investigate whether such reactivity boundaries can be extracted for higher index saddles in terms of a nonlinear canonical transformation successful for index-one saddles by using a model system with an index-two saddle. It is found that the true reactivity boundaries do not coincide with those extracted by the transformation taking into account a nonlinearity in the region of the saddle even for small perturbations, and the discrepancy is more pronounced for the less repulsive direction of the index-two saddle system. The present result indicates an importance of the global properties of the phase space to identify the reactivity boundaries, relevant to the question of what reactant and product are in phase space, for saddles with index more than one.

  3. Effect of Ancillary Ligands on the Reactivity and Structure of Zinc Polysulfido Complexes Robert J. Pafford and Thomas B. Rauchfuss*

    E-Print Network [OSTI]

    Rauchfuss, Thomas B.

    Effect of Ancillary Ligands on the Reactivity and Structure of Zinc Polysulfido Complexes Robert J in ancillary ligands. This aspect has not been examined previously, but the present work shows that ancillary

  4. Synthesis and Reactivity of Unusual Palladium (II) Complexes Supported by a Diarylamido/BIS(Phosphine) PNP Pincer Ligand 

    E-Print Network [OSTI]

    Huacuja, Rafael

    2014-01-17

    This dissertation discusses the synthesis and reactivity of divalent palladium complexes supported by diarylamido bis-phosphine pincer ligands (PNP). The PNP is a tridentate pincer type ligand which typically adopts meridional type coordination...

  5. Efficient and Reliable Reactive Power Supply and Consumption --Insights from an Integrated Program of Engineering and EconomicResearch

    SciTech Connect (OSTI)

    Thomas, Robert J.; Mount, Timothy D.; Schuler, Richard; Schulze,William; Zimmerman, Ray; Alvarado, Fernando; Lesieutre, Bernard C.; Overholt, Philip N.; Eto, Joseph H.

    2008-01-01

    In 2005, the Federal Energy Regulatory Commission (FERC) began discussing regulatory policy for reactive-power procurement and pricing in competitive electricity markets. This paper summarizes findings from a unique, interdisciplinary program of public-interest research that lays a formal foundation for evaluating aspects of FERC staff recommendations and offers early insights that should be useful in guiding policy implementation, specifically by: (1) clarifying the consumers and economic characteristics of reactive power as a basis for creating incentives to appropriately price it, (2) defining specific challenges in creating a competitive market for reactive power as well as new tools needed to help ensure such a market functions efficiently, and (3) demonstrating the importance of accounting for the physical characteristics of the transmission network in planning for reactive power and avoiding the exercise of market power by suppliers.

  6. Elastic properties of B-C-N films grown by N{sub 2}-reactive sputtering from boron carbide targets

    SciTech Connect (OSTI)

    Salas, E.; Jiménez Riobóo, R. J.; Jiménez-Villacorta, F.; Prieto, C.; Sánchez-Marcos, J.; Dept. Química-Física Aplicada, Universidad Autónoma de Madrid, Cantoblanco, 28049 Madrid ; Muñoz-Martín, A.; Prieto, J. E.; Joco, V.

    2013-12-07

    Boron-carbon-nitrogen films were grown by RF reactive sputtering from a B{sub 4}C target and N{sub 2} as reactive gas. The films present phase segregation and are mechanically softer than boron carbide films (a factor of more than 2 in Young's modulus). This fact can turn out as an advantage in order to select buffer layers to better anchor boron carbide films on substrates eliminating thermally induced mechanical tensions.

  7. COS OBSERVATIONS OF METAL LINE AND BROAD LYMAN-{alpha} ABSORPTION IN THE MULTI-PHASE O VI AND Ne VIII SYSTEM AT z = 0.20701 TOWARD HE 0226-4110

    SciTech Connect (OSTI)

    Savage, B. D. [Department of Astronomy, University of Wisconsin-Madison, 475 North Charter Street, Madison, WI 53706 (United States); Lehner, N. [Department of Physics, University of Notre Dame, 225 Nieuwland Science Hall, Notre Dame, IN 46556 (United States); Narayanan, A. [Indian Institute of Space Science and Technology, Thiruvananthapuram 695547, Kerala (India)

    2011-12-20

    Observations of the QSO HE 0226-4110 (z{sub em} = 0.495) with the Cosmic Origins Spectrograph (COS) from 1134 to 1796 A with a resolution of {approx}17 km s{sup -1} and signal-to-noise ratio (S/N) per resolution element of 20-40 are used to study the multi-phase absorption system at z = 0.20701 containing O VI and Ne VIII. The system was previously studied with lower S/N observations with Far-Ultraviolet Spectroscopic Explorer (FUSE) and Space Telescope Imaging Spectrograph (STIS). The COS observations provide more reliable measures of the H I and metal lines present in the system and reveal the clear presence of broad Ly{alpha} (BLA) absorption with b = 72(+13, -6) km s{sup -1} and log N(H I) = 13.87 {+-} 0.08. Detecting BLAs associated with warm gas absorbers is crucial for determining the temperature, metallicity, and total baryonic content of the absorbers. The BLA is probably recording the trace amount of thermally broadened H I in the collisionally ionized plasma with log T {approx} 5.7 that also produces the O VI and Ne VIII absorption. The total hydrogen column in the collisionally ionized gas, log N(H) {approx} 20.1, exceeds that in the cooler photoionized gas in the system by a factor of {approx}22. The oxygen abundance in the collisionally ionized gas is [O/H] = -0.89 {+-} 0.08 {+-} 0.07. The absorber probably occurs in the circumgalactic environment (halo) of a foreground L = 0.25L{sub *} disk galaxy with an impact parameter of 109 h{sub 70}{sup -1} kpc identified by Mulchaey and Chen.

  8. To appear in the Proceedings of the World Multiconference on Systemics, Cybernetics, and Informatics (CSI'97), Caracas, Venezuela, July 1997. Learning of ParameterAdaptive Reactive Controllers for Robotic

    E-Print Network [OSTI]

    , and Informatics (CSI'97), Caracas, Venezuela, July 1997. Learning of Parameter­Adaptive Reactive Controllers

  9. Reactivity Accountability Attributed to Reflector Poisons in the High Flux Isotope Reactor

    SciTech Connect (OSTI)

    Chandler, David [ORNL; Maldonado, G Ivan [ORNL; Primm, Trent [ORNL

    2009-12-01

    The objective of this study is to develop a methodology to predict the reactivity impact as a function of outage time between cycles of 3He, 6Li, and other poisons in the High Flux Isotope Reactor s (HFIR) beryllium reflector. The reactivity worth at startup of the HFIR has been incorrectly predicted in the past after the reactor has been shut-down for long periods of time. The incorrect prediction was postulated to be due to the erroneous calculation of 3He buildup in the beryllium reflector. It is necessary to develop a better estimate of the start-of-cycle symmetric critical control element positions since if the estimated and actual symmetrical critical control element positions differ by more than $1.55 in reactivity (approximately one-half inch in control element startup position), HFIR is to be shutdown and a technical evaluation is performed to resolve the discrepancy prior to restart. 3He is generated and depleted during operation, but during an outage, the depletion of 3He ceases because it is a stable isotope. 3He is born from the radioactive decay of tritium, and thus the concentration of 3He increases during shutdown. SCALE, specifically the TRITON and CSAS5 control modules including the KENO V.A, COUPLE, and ORIGEN functional modules were utilized in this study. An equation relating the down time (td) to the change in symmetric control element position was generated and validated against measurements for approximately 40 HFIR operating cycles. The newly-derived correlation was shown to improve accuracy of predictions for long periods of down time.

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

    DOE Patents [OSTI]

    Durai-Swamy, Kandaswamy (Culver City, CA)

    1982-01-01

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

  11. 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)

  12. Dynamics of confined reactive water in Smectic clay-zeolite composites.

    SciTech Connect (OSTI)

    Pitman, Michael C.; Van Duin, Adri C. T.

    2012-01-01

    The dynamics of water confined to mesoporous regions in minerals such as swelling clays and zeolites is fundamental to a wide range of resource management issues impacting many processes on a global scale, including radioactive waste containment, desalination, and enhanced oil recovery. Large-scale atomic models of freely diffusing multilayer smectite particles at low hydration confined in a silicalite cage are used to investigate water dynamics in the composite environment with the ReaxFF reactive force field over a temperature range of 300 647 K. The reactive capability of the force field enabled a range of relevant surface chemistry to emerge, including acid/base equilibria in the interlayer calcium hydrates and silanol formation on the edges of the clay and inner surface of the zeolite housing. After annealing, the resulting clay models exhibit both mono- and bilayer hydration structures. Clay surface hydration redistributed markedly and yielded to silicalite water loading. We find that the absolute rates and temperature dependence of water dynamics compare well to neutron scattering data and pulse field gradient measures from relevant samples of Ca-montmorillonite and silicalite, respectively. Within an atomistic, reactive context, our results distinguish water dynamics in the interlayer Ca(OH)2 nH2O environment from water flowing over the clay surface, and from water diffusing within silicalite. We find that the diffusion of water when complexed to Ca hydrates is considerably slower than freely diffusing water over the clay surface, and the reduced mobility is well described by a difference in the Arrhenius pre-exponential factor rather than a change in activation energy.

  13. Dynamics of confined reactive water in smectite clay-zeolite composites

    SciTech Connect (OSTI)

    Pitman, Michael C.; Van Duin, Adri C. T.

    2012-01-01

    The dynamics of water confined to mesoporous regions in minerals such as swelling clays and zeolites is fundamental to a wide range of resource management issues impacting many processes on a global scale, including radioactive waste containment, desalination, and enhanced oil recovery. Large-scale atomic models of freely diffusing multilayer smectite particles at low hydration confined in a silicalite cage are used to investigate water dynamics in the composite environment with the ReaxFF reactive force field over a temperature range of 300 647 K. The reactive capability of the force field enabled a range of relevant surface chemistry to emerge, including acid/base equilibria in the interlayer calcium hydrates and silanol formation on the edges of the clay and inner surface of the zeolite housing. After annealing, the resulting clay models exhibit both mono- and bilayer hydration structures. Clay surface hydration redistributed markedly and yielded to silicalite water loading. We find that the absolute rates and temperature dependence of water dynamics compare well to neutron scattering data and pulse field gradient measures from relevant samples of Ca-montmorillonite and silicalite, respectively. Within an atomistic, reactive context, our results distinguish water dynamics in the interlayer Ca(OH)2 nH2O environment from water flowing over the clay surface, and from water diffusing within silicalite. We find that the diffusion of water when complexed to Ca hydrates is considerably slower than freely diffusing water over the clay surface, and the reduced mobility is well described by a difference in the Arrhenius pre-exponential factor rather than a change in activation energy.

  14. Drop Dynamics and Speciation in Isolation of Metals from Liquid Wastes by Reactive Scavenging

    SciTech Connect (OSTI)

    Arne J. Pearlstein; Alexander Scheeline

    2002-08-30

    Computational and experimental studies of the motion and dynamics of liquid drops in gas flows were conducted with relevance to reactive scavenging of metals from atomized liquid waste. Navier-Stoke's computations of deformable drops revealed a range of conditions from which prolate drops are expected, and showed how frajectiones of deformable drops undergoing deceleration can be computed. Experimental work focused on development of emission fluorescence, and scattering diagnostics. The instrument developed was used to image drop shapes, soot, and nonaxisymmetric departures from steady flow in a 22kw combustor

  15. Reactivity of Pb(II) at the Mn(III,IV) (Oxyhydr)Oxide-Water Interface

    E-Print Network [OSTI]

    Sparks, Donald L.

    A T O C H A , * , E V E R T J . E L Z I N G A , A N D D O N A L D L . S P A R K S DepartmentReactivity of Pb(II) at the Mn(III,IV) (Oxyhydr)Oxide-Water Interface C H R I S T O P H E R J . M and surface functional groups on R-Al2O3 depending on the specific surface site exposed. The uptake of Pb

  16. Fluidizable zinc titanate materials with high chemical reactivity and attrition resistance

    DOE Patents [OSTI]

    Gupta, Raghubir P. (Durham, NC); Gangwal, Santosh K. (Durham, NC); Jain, Suresh C. (Morgantown, WV)

    1993-01-01

    Highly durable and chemically reactive zinc titanate materials are prepared in a particle size range of 50 to 400 .mu.m suitable for a fluidized-bed reactor for removing reduced sulfur species in a gaseous form by granulating a mixture of fine zinc oxide and titanium oxide with inorganic and organic binders and by optional additions of small amounts of activators such as CoO and MoO.sub.3 ; and then indurating it at 800.degree. to 900.degree. C. for a time sufficient to produce attrition-resistant granules.

  17. Systems and methods for reactive distillation with recirculation of light components

    DOE Patents [OSTI]

    Stickney, Michael J. (Nassau Bay, TX); Jones, Jr., Edward M. (Friendswood, TX)

    2011-07-26

    Systems and methods for producing gas-to-liquids products using reactive distillation are provided. The method for producing gas-to-liquids products can include reacting a feedstock in a column having a distillation zone and a reaction zone to provide a bottoms stream and an overhead stream. A first portion of the overhead stream can be recycled to the column at the top of the reaction zone and second portion of the overhead stream can be recycled to the column at the bottom of the reaction zone.

  18. A new binder for powder injection molding titanium and other reactive metals

    SciTech Connect (OSTI)

    Weil, K. Scott; Nyberg, Eric A.; Simmons, Kevin L.

    2006-06-26

    We have developed a new aromatic-based binder for powder injection molding (PIM) reactive metals, such as titanium, zirconium, niobium, tungsten, and molybdenum. Because of careful selection of the binder constituents, thermal removal is readily accomplished at low temperatures and short-times via vacuum sublimation. In this way the binder can be cleanly extracted from the green part prior to sintering to minimize the amount of residual carbon left in the final component. Rheological measurements indicate that powder loadings in the PIM feedstock as high as 67 vol% could be achieved using the new binder system, while still maintaining low mixing torques and injection molding pressures.

  19. Fluidizable zinc titanate materials with high chemical reactivity and attrition resistance

    DOE Patents [OSTI]

    Gupta, R.P.; Gangwal, S.K.; Jain, S.C.

    1993-10-19

    Highly durable and chemically reactive zinc titanate materials are prepared in a particle size range of 50 to 400 [mu]m suitable for a fluidized-bed reactor for removing reduced sulfur species in a gaseous form by granulating a mixture of fine zinc oxide and titanium oxide with inorganic and organic binders and by optional additions of small amounts of activators such as CoO and MoO[sub 3]; and then indurating it at 800 to 900 C for a time sufficient to produce attrition-resistant granules.

  20. Chemical Reactivity Testing for the National Spent Nuclear Fuel Program. Quality Assurance Project Plan

    SciTech Connect (OSTI)

    Newsom, H.C.

    1999-01-24

    This quality assurance project plan (QAPjP) summarizes requirements used by Lockheed Martin Energy Systems, Incorporated (LMES) Development Division at Y-12 for conducting chemical reactivity testing of Department of Energy (DOE) owned spent nuclear fuel, sponsored by the National Spent Nuclear Fuel Program (NSNFP). The requirements are based on the NSNFP Statement of Work PRO-007 (Statement of Work for Laboratory Determination of Uranium Hydride Oxidation Reaction Kinetics.) This QAPjP will utilize the quality assurance program at Y-12, QA-101PD, revision 1, and existing implementing procedures for the most part in meeting the NSNFP Statement of Work PRO-007 requirements, exceptions will be noted.