National Library of Energy BETA

Sample records for asphalt paving mixture

  1. Investigation of Asphalt Mixture Creep Behavior Using Thin Beam Specimens

    SciTech Connect (OSTI)

    Zofka, Adam; Marasteanu, Mihai; Turos, Mugur

    2008-02-15

    The asphalt pavement layer consists of two or more lifts of compacted asphalt mixture; the top of the layer is also exposed to aging, a factor that significantly affects the mixture properties. The current testing specifications use rather thick specimens that cannot be used to investigate the gradual change in properties with pavement depth. This paper investigates the feasibility of using the 3-point bending test with thin asphalt mixture beams (127x12.7x6.35 mm) to determine the low-temperature creep compliance of the mixtures. Several theoretical and semi-empirical models, from the theory of composites, are reviewed and evaluated using numerical and experimental data. Preliminary results show that this method can be used for low-temperature mixture characterization but several crucial factors need further inspection and interpretation.

  2. Tertiary nitrogen heterocyclic material to reduce moisture-induced damage in asphalt-aggregate mixtures

    DOE Patents [OSTI]

    Plancher, Henry; Petersen, Joseph C.

    1982-01-01

    Asphalt-aggregate roads crack when subjected to freezing and thawing cycles. Herein, the useful life of asphalts are substantially improved by a minor amount of a moisture damage inhibiting agent selected from compounds having a pyridine moiety, including acid salts of such compounds. A shale oil fraction may serve as the source of the improving agent and may simply be blended with conventional petroleum asphalts.

  3. Excess Foundry Sand Characterization and Experimental Investigation in Controlled Low-Strength Material and Hot-Mixing Asphalt

    SciTech Connect (OSTI)

    Pauul J. Tikalsky

    2004-10-31

    This report provides technical data regarding the reuse of excess foundry sand. The report addresses three topics: (1) a statistically sound evaluation of the characterization of foundry sand, (2) a laboratory investigation to qualify excess foundry sand as a major component in controlled low-strength material (CLSM), and (3) the identification of the best methods for using foundry sand as a replacement for natural aggregates for construction purposes, specifically in asphalt paving materials. The survival analysis statistical technique was used to characterize foundry sand over a full spectrum of general chemical parameters, metallic elements, and organic compounds regarding bulk analysis and leachate characterization. Not limited to characterization and environmental impact, foundry sand was evaluated by factor analyses, which contributes to proper selection of factor and maximization of the reuse marketplace for foundry sand. Regarding the integration of foundry sand into CLSM, excavatable CLSM and structural CLSM containing different types of excess foundry sands were investigated through laboratory experiments. Foundry sand was approved to constitute a major component in CLSM. Regarding the integration of foundry sand into asphalt paving materials, the optimum asphalt content was determined for each mixture, as well as the bulk density, maximum density, asphalt absorption, and air voids at N{sub ini}, N{sub des}, and N{sub max}. It was found that foundry sands can be used as an aggregate in hot-mix asphalt production, but each sand should be evaluated individually. Foundry sands tend to lower the strength of mixtures and also may make them more susceptible to moisture damage. Finally, traditional anti-stripping additives may decrease the moisture sensitivity of a mixture containing foundry sand, but not to the level allowed by most highway agencies.

  4. Excess Foundry Sand Characterization and Experimental Investigation in Controlled Low-Strength Material and Hot-Mixing Asphalt

    SciTech Connect (OSTI)

    Tikalsky, Paul J.; Bahia, Hussain U.; Deng, An; Snyder, Thomas

    2004-10-15

    This report provides technical data regarding the reuse of excess foundry sand. The report addresses three topics: a statistically sound evaluation of the characterization of foundry sand, a laboratory investigation to qualify excess foundry sand as a major component in controlled low-strength material (CLSM), and the identification of the best methods for using foundry sand as a replacement for natural aggregates for construction purposes, specifically in asphalt paving materials. The survival analysis statistical technique was used to characterize foundry sand over a full spectrum of general chemical parameters, metallic elements, and organic compounds regarding bulk analysis and leachate characterization. Not limited to characterization and environmental impact, foundry sand was evaluated by factor analyses, which contributes to proper selection of factor and maximization of the reuse marketplace for foundry sand. Regarding the integration of foundry sand into CLSM, excavatable CLSM and structural CLSM containing different types of excess foundry sands were investigated through laboratory experiments. Foundry sand was approved to constitute a major component in CLSM. Regarding the integration of foundry sand into asphalt paving materials, the optimum asphalt content was determined for each mixture, as well as the bulk density, maximum density, asphalt absorption, and air voids at Nini, Ndes, and Nmax. It was found that foundry sands can be used as an aggregate in hot-mix asphalt production, but each sand should be evaluated individually. Foundry sands tend to lower the strength of mixtures and also may make them more susceptible to moisture damage. Finally, traditional anti-stripping additives may decrease the moisture sensitivity of a mixture containing foundry sand, but not to the level allowed by most highway agencies.

  5. Mexico: Paving the way

    SciTech Connect (OSTI)

    Erckert, C.

    1993-02-01

    The North American Free Trade Agreement (NAFTA) signed last year by the presidents of Mexico and the United States and the Canadian prime minister will pave the way for increased outside participation in Mexico's growing energy sector. In its penultimate session of 1992, the Mexican Congress approved a bill which would enact the treaty provisions into domestic law and expand upon the details of previously enacted liberalization plans.

  6. Y-12's rough roads smoothed over with 23,000 tons of recycled asphalt |

    National Nuclear Security Administration (NNSA)

    National Nuclear Security Administration | (NNSA) 's rough roads smoothed over with 23,000 tons of recycled asphalt Tuesday, December 29, 2015 - 12:00am NNSA Blog Some 23,000 tons of asphalt removed during this summer's UPF site work have been put to use throughout the site. Potholes and gravel roads are now "paved" with the recycled asphalt that has been ground into a material called base course. Unlike gravel, the material tends to rebind into a solid form as it is packed down,

  7. Recovery and reuse of asphalt roofing waste. Final report

    SciTech Connect (OSTI)

    Desai, S.; Graziano, G.; Shepherd, P.

    1984-02-02

    Burning of asphalt roofing waste as a fuel and incorporating asphalt roofing waste in bituminous paving were identified as the two outstanding resource recovery concepts out of ten studied. Four additional concepts might be worth considering under different market or technical circumstances. Another four concepts were rated as worth no further consideration at this time. This study of the recovery of the resource represented in asphalt roofing waste has identified the sources and quantities of roofing waste. About six million cubic yards of scrap roofing are generated annually in the United States, about 94% from removal of old roofing at the job site and the remainder from roofing material production at factories. Waste disposal is a growing problem for manufacturers and contractors. Nearly all roofing waste is hauled to landfills at a considerable expense to roofing contractors and manufacturers. Recovery of the roofing waste resource should require only a modest economic incentive. The asphalt contained in roofing waste represents an energy resource of more than 7 x 10/sup 13/ Btu/year. Another 1 x 10/sup 13/ Btu/year may be contained in field-applied asphalt on commercial building roofs. The two concepts recommended by this study appear to offer the broadest applicability, the most favorable economics, and the highest potential for near-term implementation to reuse this resource.

  8. NERSC Gateways Pave Way for 'Team Science'

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

    NERSC's Science Gateways Pave Way for 'Team Science' NERSC Gateways Pave Way for 'Team Science' Computational scientists at NERSC work with researchers around the globe to develop ...

  9. 'Erratic' Lasers Pave Way for Tabletop Accelerators

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

    Lasers Pave Way for Tabletop Accelerators 'Erratic' Lasers Pave Way for Tabletop Accelerators Simulations at NERSC help researchers simplify design of mini particle accelerators June 9, 2014 Kate Green, KGreene@lbl.gov, 510-486-4404 laserplasmaaccelerator 3D map of the longitudinal wakefield generated by the incoherent combination of 208 low-energy laser beamlets. In the region behind the driver, the wakefield is regular. Image: Carlo Benedetti, Berkeley Lab Making a tabletop particle

  10. NERSC Gateways Pave Way for 'Team Science'

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

    NERSC's Science Gateways Pave Way for 'Team Science' NERSC Gateways Pave Way for 'Team Science' Computational scientists at NERSC work with researchers around the globe to develop online tools that are changing the way they compute and collaborate March 12, 2014 Contact: Kathy Kincade, +1 510 495 2124, kkincade@lbl.gov For nearly a decade, computational scientists at the Department of Energy's National Energy Scientific Research Computing Center (NERSC) have been working with researchers around

  11. Development of asphalts and pavements using recycled tire rubber. Phase 1, Technical feasibility. Technical progress report, September 1, 1994--August 31, 1995

    SciTech Connect (OSTI)

    Bullin, J.A.; Davison, R.R.; Glover, C.J.

    1996-06-01

    About 285 million tires are discarded every year; less than 100 million are currently being recycled, with the rest being placed in landfills and other waste sites. A solution to reduce the littering of the environment is to use ground tire rubber in road construction. Currently, about 27 million tons of asphalt are used each year in road construction and maintenance of the country`s 2 million miles of roads. If all of the waste tire rubber could be combined with asphalt in road construction, it would displace less than 6% of the total asphalt used each year, yet could save about 60 trillion Btus annually. Purpose of this project is to provide data needed to optimize the performance of rubber-asphalt concretes. The first phase is to develop asphalts and recycling agents tailored for compatibility with ground tire rubber. Chapter 2 presents results on Laboratory Testing and Evaluation: fractionate asphalt material, reblending for aromatic asphalts, verifying optimal curing parameters, aging of blends, and measuring ductilities of asphalt-rubber binders. Chapter 3 focuses on Evaluating Mixture Characteristics (modified binders). Chapter 4 covers Adhesion Test Development (water susceptibility is also covered). The final chapter focuses on the Performance/Economic Update and Commercialization Plan.

  12. Cool Asphalt Shingles | Department of Energy

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

    Cool Asphalt Shingles Cool Asphalt Shingles Berkeley Lab Heat Island Group research assistant Sharon Chen prepares a prototype of high-performance cool shingle roofing. Credit: Heat Island Group, Lawrence Berkeley National Laboratory Berkeley Lab Heat Island Group research assistant Sharon Chen prepares a prototype of high-performance cool shingle roofing. Credit: Heat Island Group, Lawrence Berkeley National Laboratory Lead Performer: Lawrence Berkeley National Laboratory - Berkeley, CA

  13. Rapid determination of actinides in asphalt samples

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

    Maxwell, Sherrod L.; Culligan, Brian K.; Hutchison, Jay B.

    2014-01-12

    A new rapid method for the determination of actinides in asphalt samples has been developed that can be used in emergency response situations or for routine analysis If a radiological dispersive device (RDD), Improvised Nuclear Device (IND) or a nuclear accident such as the accident at the Fukushima Nuclear Power Plant in March, 2011 occurs, there will be an urgent need for rapid analyses of many different environmental matrices, including asphalt materials, to support dose mitigation and environmental clean up. The new method for the determination of actinides in asphalt utilizes a rapid furnace step to destroy bitumen and organicsmore » present in the asphalt and sodium hydroxide fusion to digest the remaining sample. Sample preconcentration steps are used to collect the actinides and a new stacked TRU Resin + DGA Resin column method is employed to separate the actinide isotopes in the asphalt samples. The TRU Resin plus DGA Resin separation approach, which allows sequential separation of plutonium, uranium, americium and curium isotopes in asphalt samples, can be applied to soil samples as well.« less

  14. Rapid determination of actinides in asphalt samples

    SciTech Connect (OSTI)

    Maxwell, Sherrod L.; Culligan, Brian K.; Hutchison, Jay B.

    2014-01-12

    A new rapid method for the determination of actinides in asphalt samples has been developed that can be used in emergency response situations or for routine analysis If a radiological dispersive device (RDD), Improvised Nuclear Device (IND) or a nuclear accident such as the accident at the Fukushima Nuclear Power Plant in March, 2011 occurs, there will be an urgent need for rapid analyses of many different environmental matrices, including asphalt materials, to support dose mitigation and environmental clean up. The new method for the determination of actinides in asphalt utilizes a rapid furnace step to destroy bitumen and organics present in the asphalt and sodium hydroxide fusion to digest the remaining sample. Sample preconcentration steps are used to collect the actinides and a new stacked TRU Resin + DGA Resin column method is employed to separate the actinide isotopes in the asphalt samples. The TRU Resin plus DGA Resin separation approach, which allows sequential separation of plutonium, uranium, americium and curium isotopes in asphalt samples, can be applied to soil samples as well.

  15. New Cool Roof Coatings and Affordable Cool Color Asphalt

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

    New Cool Roof Coatings and Affordable Cool Color Asphalt Shingles Meng-Dawn Cheng Oak ... roof coatings and asphalt shingles to reduce energy consumption of new and existing roofs. ...

  16. Argonne continues to pave way to improved battery performance...

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

    continues to pave way to improved battery performance testing By Angela Hardin * March 31, ... of information that can be extracted from lithium-ion battery cells during cycling. ...

  17. Pan African Vision for the Environment (PAVE) | Open Energy Informatio...

    Open Energy Info (EERE)

    to: navigation, search Name: Pan African Vision for the Environment (PAVE) Address: P.O.BOX 494, Ijanikin Place: Lagos, Nigeria Year Founded: 1998 Phone Number: +234-8033510419...

  18. New 'Design Rule' Paves Way for Nature-Inspired Nanostructures

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

    'Design Rule' Paves Way for Nature-Inspired Nanostructures New 'Design Rule' Paves Way for Nature-Inspired Nanostructures Computer sims and microscopy research at Berkeley Lab yield first atomic-resolution structure of a peptoid nanosheet October 7, 2015 Contact: Dan Krotz, dakrotz@lbl.gov, 510-486-4019 peptoidnanosheets Snakes on a plane: This atomic-resolution simulation of a two-dimensional peptoid nanosheet reveals a snake-like structure never seen before. The nanosheet's layers include a

  19. Bound Neutrons Pave Way to Free Ones | Jefferson Lab

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

    Bound Neutrons Pave Way to Free Ones Bound Neutrons Pave Way to Free Ones Bound Neutrons Some experiments seem to show that the building blocks of protons and neutrons inside a nucleus are somehow different from that of free ones. Other experiments show they behave differently when they pair up: they move faster and frequently overlap. NEWPORT NEWS, VA, February 7, 2011 - A study of bound protons and neutrons conducted at the Department of Energy's Thomas Jefferson National Accelerator Facility

  20. Bound Neutrons Pave Way to Free Ones | Jefferson Lab

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

    Bound Neutrons Pave Way to Free Ones Bound Neutrons Pave Way to Free Ones Unexpected Connection - Some experiments seem to show that the building blocks of protons and neutrons inside a nucleus are somehow different from that of free neutrons and protons. Other experiments show protons and neutrons behave differently when they pair up. A new study shows these two different lines of research are correlated, leading to information on the internal structure of free neutrons without the assistance

  1. HIV immunity study could pave way for vaccine development

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

    HIV immunity study could pave way for vaccine development HIV immunity study could pave way for vaccine development Two scientists are among the team recently funded to explore ways to create the precise immune factors needed for effective vaccines against HIV. July 17, 2012 Los Alamos National Laboratory sits on top of a once-remote mesa in northern New Mexico with the Jemez mountains as a backdrop to research and innovation covering multi-disciplines from bioscience, sustainable energy

  2. Technological Advancements Paving the Way for Geothermal Growth |

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

    Department of Energy Technological Advancements Paving the Way for Geothermal Growth Technological Advancements Paving the Way for Geothermal Growth February 12, 2013 - 2:47pm Addthis Preliminary results show an increase in 2012 year-end geothermal capacity Washington, D.C. (Geothermal Energy Association) - As the Geothermal Energy Association (GEA) prepares to release its annual development report at the State of the Geothermal Energy Industry Briefing on February 26 in Washington,

  3. Paving the Way to Nanoelectronics 16 nm and Smaller

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

    Paving the Way to Nanoelectronics 16 nm and Smaller Paving the Way to Nanoelectronics 16 nm and Smaller Print Wednesday, 30 March 2011 00:00 As the nanoelectronics industry pushes towards feature sizes of 22 nm and smaller, conventional single-exposure refractive lithography systems used to print circuit patterns onto computer chips will no longer be feasible. Extreme ultraviolet (EUV) lithography, utilizing reflective optics and 13-nm-wavelength light to print chips, is the leading candidate to

  4. Surface roughness effects on the solar reflectance of cool asphalt...

    Office of Scientific and Technical Information (OSTI)

    Journal Article: Surface roughness effects on the solar reflectance of cool asphalt shingles Citation Details In-Document Search Title: Surface roughness effects on the solar ...

  5. Paving the Way to Nanoelectronics 16 nm and Smaller

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

    Paving the Way to Nanoelectronics 16 nm and Smaller Print As the nanoelectronics industry pushes towards feature sizes of 22 nm and smaller, conventional single-exposure refractive lithography systems used to print circuit patterns onto computer chips will no longer be feasible. Extreme ultraviolet (EUV) lithography, utilizing reflective optics and 13-nm-wavelength light to print chips, is the leading candidate to meet the industry's future needs. Despite strong progress in EUV lithography over

  6. Paving the Way to Nanoelectronics 16 nm and Smaller

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

    Paving the Way to Nanoelectronics 16 nm and Smaller Print As the nanoelectronics industry pushes towards feature sizes of 22 nm and smaller, conventional single-exposure refractive lithography systems used to print circuit patterns onto computer chips will no longer be feasible. Extreme ultraviolet (EUV) lithography, utilizing reflective optics and 13-nm-wavelength light to print chips, is the leading candidate to meet the industry's future needs. Despite strong progress in EUV lithography over

  7. Paving the Way to Nanoelectronics 16 nm and Smaller

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

    Paving the Way to Nanoelectronics 16 nm and Smaller Print As the nanoelectronics industry pushes towards feature sizes of 22 nm and smaller, conventional single-exposure refractive lithography systems used to print circuit patterns onto computer chips will no longer be feasible. Extreme ultraviolet (EUV) lithography, utilizing reflective optics and 13-nm-wavelength light to print chips, is the leading candidate to meet the industry's future needs. Despite strong progress in EUV lithography over

  8. Paving the Way to Nanoelectronics 16 nm and Smaller

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

    Paving the Way to Nanoelectronics 16 nm and Smaller Print As the nanoelectronics industry pushes towards feature sizes of 22 nm and smaller, conventional single-exposure refractive lithography systems used to print circuit patterns onto computer chips will no longer be feasible. Extreme ultraviolet (EUV) lithography, utilizing reflective optics and 13-nm-wavelength light to print chips, is the leading candidate to meet the industry's future needs. Despite strong progress in EUV lithography over

  9. Paving the Way to Nanoelectronics 16 nm and Smaller

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

    Paving the Way to Nanoelectronics 16 nm and Smaller Print As the nanoelectronics industry pushes towards feature sizes of 22 nm and smaller, conventional single-exposure refractive lithography systems used to print circuit patterns onto computer chips will no longer be feasible. Extreme ultraviolet (EUV) lithography, utilizing reflective optics and 13-nm-wavelength light to print chips, is the leading candidate to meet the industry's future needs. Despite strong progress in EUV lithography over

  10. Paving the Way to Nanoelectronics 16 nm and Smaller

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

    Paving the Way to Nanoelectronics 16 nm and Smaller Print As the nanoelectronics industry pushes towards feature sizes of 22 nm and smaller, conventional single-exposure refractive lithography systems used to print circuit patterns onto computer chips will no longer be feasible. Extreme ultraviolet (EUV) lithography, utilizing reflective optics and 13-nm-wavelength light to print chips, is the leading candidate to meet the industry's future needs. Despite strong progress in EUV lithography over

  11. Mixture Experiments

    SciTech Connect (OSTI)

    Piepel, Gregory F.

    2007-12-01

    A mixture experiment involves combining two or more components in various proportions or amounts and then measuring one or more responses for the resulting end products. Other factors that affect the response(s), such as process variables and/or the total amount of the mixture, may also be studied in the experiment. A mixture experiment design specifies the combinations of mixture components and other experimental factors (if any) to be studied and the response variable(s) to be measured. Mixture experiment data analyses are then used to achieve the desired goals, which may include (i) understanding the effects of components and other factors on the response(s), (ii) identifying components and other factors with significant and nonsignificant effects on the response(s), (iii) developing models for predicting the response(s) as functions of the mixture components and any other factors, and (iv) developing end-products with desired values and uncertainties of the response(s). Given a mixture experiment problem, a practitioner must consider the possible approaches for designing the experiment and analyzing the data, and then select the approach best suited to the problem. Eight possible approaches include 1) component proportions, 2) mathematically independent variables, 3) slack variable, 4) mixture amount, 5) component amounts, 6) mixture process variable, 7) mixture of mixtures, and 8) multi-factor mixture. The article provides an overview of the mixture experiment designs, models, and data analyses for these approaches.

  12. Unconstrained paving and plastering method for generating finite element meshes

    DOE Patents [OSTI]

    Staten, Matthew L.; Owen, Steven J.; Blacker, Teddy D.; Kerr, Robert

    2010-03-02

    Computer software for and a method of generating a conformal all quadrilateral or hexahedral mesh comprising selecting an object with unmeshed boundaries and performing the following while unmeshed voids are larger than twice a desired element size and unrecognizable as either a midpoint subdividable or pave-and-sweepable polyhedra: selecting a front to advance; based on sizes of fronts and angles with adjacent fronts, determining which adjacent fronts should be advanced with the selected front; advancing the fronts; detecting proximities with other nearby fronts; resolving any found proximities; forming quadrilaterals or unconstrained columns of hexahedra where two layers cross; and establishing hexahedral elements where three layers cross.

  13. Argonne research helps pave way for physics Nobel | Argonne National

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

    Laboratory research helps pave way for physics Nobel By Jared Sagoff * October 8, 2013 Tweet EmailPrint ARGONNE, Ill. (Oct. 8, 2013) - The 2013 Nobel Prize in Physics was awarded today to theoretical physicists François Englert and Peter Higgs for their theory of an elementary particle now known as the Higgs boson, which scientists believe is responsible for giving mass to other elementary particles. Particle physics researchers from the U.S. Department of Energy's (DOE) Argonne National

  14. Asphalt Roofing Shingles Into Energy Project Summary Report

    SciTech Connect (OSTI)

    Jameson, Rex, PE

    2008-04-28

    Based on a widely cited September, 1999 report by the Vermont Agency of Natural Resources, nearly 11 million tons of asphalt roofing shingle wastes are produced in the United States each year. Recent data suggests that the total is made up of about 9.4 million tons from roofing tear-offs and about 1.6 million tons from manufacturing scrap. Developing beneficial uses for these materials would conserve natural resources, promote protection of the environment and strengthen the economy. This project explored the feasibility of using chipped asphalt shingle materials in cement manufacturing kilns and circulating fluidized bed (CFB) boilers. A method of enhancing the value of chipped shingle materials for use as fuel by removing certain fractions for use as substitute raw materials for the manufacture of new shingles was also explored. Procedures were developed to prevent asbestos containing materials from being processed at the chipping facilities, and the frequency of the occurrence of asbestos in residential roofing tear-off materials was evaluated. The economic feasibility of each potential use was evaluated based on experience gained during the project and on a review of the well established use of shingle materials in hot mix asphalt. This project demonstrated that chipped asphalt shingle materials can be suitable for use as fuel in circulating fluidized boilers and cement kilns. More experience would be necessary to determine the full benefits that could be derived and to discover long term effects, but no technical barriers to full scale commercial use of chipped asphalt shingle materials in these applications were discovered. While the technical feasibility of various options was demonstrated, only the use of asphalt shingle materials in hot mix asphalt applications is currently viable economically.

  15. Asphalt emulsion sealing of uranium mill tailings. 1979 annual report

    SciTech Connect (OSTI)

    Hartley, J.N.; Koehmstedt, P.L.; Esterl, D.J.; Freeman, H.D.

    1980-06-01

    Uranium mill tailings are a source of low-level radiation and radioactive materials that may be released into the environment. Stabilization or disposal of these tailings in a safe and environmentally sound way is necessary to minimize radon exhalation and other radioactive releases. One of the most promising concepts for stabilizing uranium tailings is being investigated at the Pacific Northwest Laboratory: the use of asphalt emulsion to contain radon and other potentially hazardous materials in uranium tailings. Results of these studies indicate that radon flux from uranium tailings can be reduced by greater than 99% by covering the tailings with an asphalt emulsion that is poured on or sprayed on (3.0 to 7.0 mm thick), or mixed with some of the tailings and compacted to form an admixture seal (2.5 to 15.2 cm) containing 18 wt % residual asphalt.

  16. Parallel paving: An algorithm for generating distributed, adaptive, all-quadrilateral meshes on parallel computers

    SciTech Connect (OSTI)

    Lober, R.R.; Tautges, T.J.; Vaughan, C.T.

    1997-03-01

    Paving is an automated mesh generation algorithm which produces all-quadrilateral elements. It can additionally generate these elements in varying sizes such that the resulting mesh adapts to a function distribution, such as an error function. While powerful, conventional paving is a very serial algorithm in its operation. Parallel paving is the extension of serial paving into parallel environments to perform the same meshing functions as conventional paving only on distributed, discretized models. This extension allows large, adaptive, parallel finite element simulations to take advantage of paving`s meshing capabilities for h-remap remeshing. A significantly modified version of the CUBIT mesh generation code has been developed to host the parallel paving algorithm and demonstrate its capabilities on both two dimensional and three dimensional surface geometries and compare the resulting parallel produced meshes to conventionally paved meshes for mesh quality and algorithm performance. Sandia`s {open_quotes}tiling{close_quotes} dynamic load balancing code has also been extended to work with the paving algorithm to retain parallel efficiency as subdomains undergo iterative mesh refinement.

  17. Evaluation of products recovered from scrap tires for use as asphalt modifiers

    SciTech Connect (OSTI)

    McKay, J.

    1992-05-01

    Western Research Institute performed rheological tests and water sensitivity tests on asphalt cements that had been modified with carbonous residues obtained from the pyrolysis of scrap tires and waste motor oil. These tests are part of an ongoing program at the University of Wyoming Chemical Engineering Department to evaluate, as asphalt additives, solid carbonous products recovered from the scrap tire and waste motor oil pyrolysis experiments conducted at the University. The tests showed that carbonous residues increased the viscosity and decreased the elasticity of AC-10 and AC-20 asphalts. The tests also indicatedthat asphalt cements modified with carbonous residues were less sensitive to water damage and age embrittlement than unmodified asphalt cements.

  18. Automated titration method for use on blended asphalts

    DOE Patents [OSTI]

    Pauli, Adam T.; Robertson, Raymond E.; Branthaver, Jan F.; Schabron, John F.

    2012-08-07

    A system for determining parameters and compatibility of a substance such as an asphalt or other petroleum substance uses titration to highly accurately determine one or more flocculation occurrences and is especially applicable to the determination or use of Heithaus parameters and optimal mixing of various asphalt stocks. In a preferred embodiment, automated titration in an oxygen gas exclusive system and further using spectrophotometric analysis (2-8) of solution turbidity is presented. A reversible titration technique enabling in-situ titration measurement of various solution concentrations is also presented.

  19. U.S.-CERN Agreement Paves Way for New Era of Scientific Discovery...

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

    Research (CERN) signed today will pave the way for renewed collaboration in particle physics, promising to yield new insights into fundamental particles and the nature of matter...

  20. Alternative Fuels Data Center: Raleigh, North Carolina, Paves the Way for

    Alternative Fuels and Advanced Vehicles Data Center [Office of Energy Efficiency and Renewable Energy (EERE)]

    Plug-In Electric Vehicle Success Raleigh, North Carolina, Paves the Way for Plug-In Electric Vehicle Success to someone by E-mail Share Alternative Fuels Data Center: Raleigh, North Carolina, Paves the Way for Plug-In Electric Vehicle Success on Facebook Tweet about Alternative Fuels Data Center: Raleigh, North Carolina, Paves the Way for Plug-In Electric Vehicle Success on Twitter Bookmark Alternative Fuels Data Center: Raleigh, North Carolina, Paves the Way for Plug-In Electric Vehicle

  1. ECN-Paving the way for low-carbon development strategies | Open...

    Open Energy Info (EERE)

    report Website: www.ecn.nldocslibraryreport2011e11059.pdf Cost: Free Language: English ECN-Paving the way for low-carbon development strategies Screenshot References:...

  2. Smart Grid Week: R&D Projects Paving the Way to the 21st Century...

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

    Smart Grid Week: R&D Projects Paving the Way to the 21st Century Grid Smart Grid Week: R&D Projects Paving the Way to the 21st Century Grid June 4, 2013 - 10:50am Q&A What do you...

  3. Integrated coke, asphalt and jet fuel production process and apparatus

    DOE Patents [OSTI]

    Shang, Jer Y.

    1991-01-01

    A process and apparatus for the production of coke, asphalt and jet fuel m a feed of fossil fuels containing volatile carbon compounds therein is disclosed. The process includes the steps of pyrolyzing the feed in an entrained bed pyrolyzing means, separating the volatile pyrolysis products from the solid pyrolysis products removing at least one coke from the solid pyrolysis products, fractionating the volatile pyrolysis products to produce an overhead stream and a bottom stream which is useful as asphalt for road pavement, condensing the overhead stream to produce a condensed liquid fraction and a noncondensable, gaseous fraction, and removing water from the condensed liquid fraction to produce a jet fuel-containing product. The disclosed apparatus is useful for practicing the foregoing process. the process provides a useful method of mass producing and jet fuels from materials such as coal, oil shale and tar sands.

  4. U.S.-CERN Agreement Paves Way for New Era of Scientific Discovery |

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

    Department of Energy -CERN Agreement Paves Way for New Era of Scientific Discovery U.S.-CERN Agreement Paves Way for New Era of Scientific Discovery May 7, 2015 - 1:27pm Addthis NEWS MEDIA CONTACT (202) 586-4940 A new agreement between the United States and the European Organization for Nuclear Research (CERN) signed today will pave the way for renewed collaboration in particle physics, promising to yield new insights into fundamental particles and the nature of matter and our universe. The

  5. Use of bioassays in assessing health hazards from complex mixtures: A RASH analysis

    SciTech Connect (OSTI)

    Jones, T.D.

    1993-10-14

    The Finney harmonic mean model for joint toxicity of ingredients in mixtures can be used to estimate the toxicity of the neat compound if one component can be substituted in potency-adjusted-doses for each of the other components. Chemical analysis data and relative potency values (computed according to the Rapid Screening of Hazard (RASH) method) were used to compare the toxicities as predicted from ingredients of cigarette smoke, PAHs in diesel exhaust, asphalt, coal tar, pitch, and creosote with the measured toxicities of the neat mixtures. Accuracy for cigarette smoke condensate, coal tar, pitch, and creosote were within a factor of three; asphalt within a factor of 18; but the PAC content of diesel particulate was inadequate to accurately describe the toxicity of diesel emissions.

  6. C-105 heel pit removed and C-105 dome cut paves way for new retrieval...

    Office of Scientific and Technical Information (OSTI)

    Program Document: C-105 heel pit removed and C-105 dome cut paves way for new retrieval technology Citation Details In-Document Search Title: C-105 heel pit removed and C-105 dome ...

  7. Paving the path for next-generation nuclear energy | Department of Energy

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

    Paving the path for next-generation nuclear energy Paving the path for next-generation nuclear energy May 6, 2013 - 2:26pm Addthis Renewed energy and enhanced coordination are on the horizon for an international collaborative that is advancing new, safer nuclear energy systems. Renewed energy and enhanced coordination are on the horizon for an international collaborative that is advancing new, safer nuclear energy systems. Deputy Assistant Secretary Kelly Deputy Assistant Secretary Kelly Deputy

  8. EV Everywhere: 10 Ways Communities Can Pave the Way for PEVs | Department

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

    of Energy Everywhere: 10 Ways Communities Can Pave the Way for PEVs EV Everywhere: 10 Ways Communities Can Pave the Way for PEVs February 18, 2014 - 4:41pm Addthis An electric vehicle in Hawaii. A new Clean Cities guide highlights electric vehicle readiness projects from throughout the country. | Photo by Ken Kelly, National Renewable Energy Laboratory An electric vehicle in Hawaii. A new Clean Cities guide highlights electric vehicle readiness projects from throughout the country. | Photo

  9. 'Sidecars' Pave the Way for Concurrent Analytics of Large-Scale

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

    Simulations 'Sidecars' Pave the Way for Concurrent Analytics of Large-Scale Simulations 'Sidecars' Pave the Way for Concurrent Analytics of Large-Scale Simulations Halo Finder Enhancement Puts Supercomputer Users in the Driver's Seat November 2, 2015 Contact: Kathy Kincade, +1 510 495 2124, kkincade@lbl.gov Nyxfilamentsandreeberhalos In this Reeber halo finder simulation, the blueish haze is a volume rendering of the density field that Nyx calculates every time step. The light blue and

  10. Department of Energy Paves Way for Additional Clean Energy Projects and

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

    Jobs Through Manufacturing Solicitation | Department of Energy Paves Way for Additional Clean Energy Projects and Jobs Through Manufacturing Solicitation Department of Energy Paves Way for Additional Clean Energy Projects and Jobs Through Manufacturing Solicitation August 12, 2010 - 12:00am Addthis Washington D.C. --- Energy Secretary Steven Chu announced today a new loan guarantee solicitation for renewable energy manufacturing projects. The Commercial Technology Manufacturing Systems and

  11. Remedial investigation/feasibility study analysis asphalt storage area, Elmendorf AFB, Alaska. Master's thesis

    SciTech Connect (OSTI)

    Miller, N.S.

    1993-01-01

    This report is focused on an abandoned material storage area located on Elmendorf Air Force Base (EAFB), Alaska. The site is located approximately 2000 feet from the east end of the east/west runway and includes approximately 25 acres. The site was used for asphalt storage and preparation activities during the 1940s and 1950s. Approximately 4,500 drums of asphalt and 29 drums of unknown materials have been abandoned at the site. The drums are located in 32 areas throughout the 25-acre site. Following several decades of exposure to the elements, many of the drums have corroded and leaked to the ground surface. Several acres of soil are inundated with liquid asphalt that has leaked from the drums. Depths of the asphalt range from 6 to 10 inches in areas where surface anomalies have created depressions, and thus a collection point for the asphalt. A 14-x 18-x 4 foot wood frame pit used to support previous asphalt operations is located at the north end of the site. The pit contains approximately 2300 gallons of asphalt. There are also locations where the soil appears to be contaminated by petroleum products other than asphalt.

  12. Hanford Permanent Isolation Barrier Program: Asphalt technology data and status report - FY 1994

    SciTech Connect (OSTI)

    Freeman, H.D.; Romine, R.A.; Zacher, A.H.

    1994-09-01

    The asphalt layer within the Hanford Permanent Isolation Barrier (HPIB) is an important component of the overall design. This layer provides a RCRA equivalent backup to the overlying earthen layers in the unlikely event that these layers are not able to reduce the infiltration rate to less than 0.05 cm/yr. There is only limited amount of information on using asphalt for a moisture infiltration barrier over the long times required by the HPIB. Therefore, a number of activities are under way, as part of the Barrier Development Program, to obtain data on the performance of asphalt as a moisture barrier in a buried environment over a 1000-year period. These activities include (1) determining RCRA equivalency, (2) measurement of physical properties, (3) measurement of aging characteristics, and (4) relationship to ancient asphalt analogs. During FY 1994 progress was made on all of these activities. Studies were conducted both in the laboratory and on the prototype barrier constructed over the 216-B-57 crib in the 200 East Area on the Hanford Site. This report presents results obtained from the asphalt technology tasks during FY 1994. Also included are updates to planned activities for asphalt analogs and monitoring the asphalt test pad near the prototype barrier. Measurements of hydraulic conductivity on the HMAC portion of the prototype barrier show that the asphalt layers easily meet the RCRA standard of 1 {times} 10{sup -7} cm/s. In-place measurements using a new field falling head technique show an average of 3.66 {times} 10{sup -8} cm/s, while cores taken from the north end of the prototype and measured in a laboratory setup averaged 1.29 {times} 10{sup -9} cm/s. Measurements made on the fluid applied asphalt membrane (polymer-modified asphalt) show an extremely low permeability of less than 1 {times} 10{sup -11} cm/s.

  13. Small Business Vouchers Pave Way for U.S. Start-Ups | Department of Energy

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

    Small Business Vouchers Pave Way for U.S. Start-Ups Small Business Vouchers Pave Way for U.S. Start-Ups June 8, 2016 - 3:53pm Addthis American small businesses now have a fighting chance to make a big impact in clean energy. Through EERE's Small Business Vouchers (SBV) pilot, 33 small businesses are gaining access to world-class resources at nine national laboratories to help move their innovative ideas and technologies closer to the marketplace. Skysun LLC, a start-up from Bay Village, Ohio, is

  14. St. Regis Mohawk Tribe Paves the Way to a Sustainable Future; Kicks Off

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

    Community Solar Initiative | Department of Energy St. Regis Mohawk Tribe Paves the Way to a Sustainable Future; Kicks Off Community Solar Initiative St. Regis Mohawk Tribe Paves the Way to a Sustainable Future; Kicks Off Community Solar Initiative June 12, 2015 - 1:51pm Addthis Six photovoltaic arrays generate 32 kilowatts of energy to power 20 units at the Akwesasne Housing Authority’s (AHA) Sunrise Acres housing complex on the St. Regis Mohawk Reservation. Pictured from left to right

  15. DOE Signing Paves the Way for Funding, Construction of Innovative Clean

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

    Coal Plant in Florida | Department of Energy Signing Paves the Way for Funding, Construction of Innovative Clean Coal Plant in Florida DOE Signing Paves the Way for Funding, Construction of Innovative Clean Coal Plant in Florida April 3, 2007 - 12:17pm Addthis Advanced Technology System Deemed One of the Cleanest, Most Efficient in the World WASHINGTON, DC - The U.S. Secretary of Energy Samuel W. Bodman today announced the signing of a Record of Decision that clears the path for construction

  16. Landmark Tribal Wind Energy Deal Paves the Way for Tribal-Federal

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

    Leadership on Clean Energy | Department of Energy Landmark Tribal Wind Energy Deal Paves the Way for Tribal-Federal Leadership on Clean Energy Landmark Tribal Wind Energy Deal Paves the Way for Tribal-Federal Leadership on Clean Energy November 13, 2014 - 3:58pm Addthis Photo by Warren Gretz, NREL 07317. Photo by Warren Gretz, NREL 07317. What are the key facts? The 10-year GSA contract is the first power purchase agreement between a tribal entity and federal government. The contract will

  17. Development of superior asphalt recycling agency: Phase 1, Technical feasibility. Technical progress report

    SciTech Connect (OSTI)

    Bullin, J.A.; Glover, C.J.; Davison, R.R.; Lin, Moon-Sun; Chaffin, J.; Liu, Meng; Eckhardt, C.

    1996-04-01

    About every 12 years, asphalt roads must be reworked, and this is usually done by placing thick layers (hot-mix overlays) of new material on top of failed material, resulting in considerable waste of material and use of new asphalt binder. A good recycling agent is needed, not only to reduce the viscosity of the aged material but also to restore compatibility. Objective is to establish the technical feasibility (Phase I) of determining the specifications and operating parameters for producing high quality recycling agents which will allow most/all the old asphalt-based road material to be recycled. It is expected that supercritical fractionation can be used. The advanced road aging simulation procedure will be used to study aging of blends of old asphalt and recycling agents.

  18. The design of a parallel adaptive paving all-quadrilateral meshing algorithm

    SciTech Connect (OSTI)

    Tautges, T.J.; Lober, R.R.; Vaughan, C.

    1995-08-01

    Adaptive finite element analysis demands a great deal of computational resources, and as such is most appropriately solved in a massively parallel computer environment. This analysis will require other parallel algorithms before it can fully utilize MP computers, one of which is parallel adaptive meshing. A version of the paving algorithm is being designed which operates in parallel but which also retains the robustness and other desirable features present in the serial algorithm. Adaptive paving in a production mode is demonstrated using a Babuska-Rheinboldt error estimator on a classic linearly elastic plate problem. The design of the parallel paving algorithm is described, and is based on the decomposition of a surface into {open_quotes}virtual{close_quotes} surfaces. The topology of the virtual surface boundaries is defined using mesh entities (mesh nodes and edges) so as to allow movement of these boundaries with smoothing and other operations. This arrangement allows the use of the standard paving algorithm on subdomain interiors, after the negotiation of the boundary mesh.

  19. New Cool Roof Coatings and Affordable Cool Color Asphalt | Department of

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

    Energy New Cool Roof Coatings and Affordable Cool Color Asphalt New Cool Roof Coatings and Affordable Cool Color Asphalt Emerging Technologies Project for the 2013 Building Technologies Office's Program Peer Review emrgtech25_cheng_040413.pdf (1.35 MB) More Documents & Publications Accelerated Aging of Roofing Materials - 2013 BTO Peer Review Berkeley Lab Heat Island Group research assistant Sharon Chen prepares a prototype of high-performance cool shingle roofing. Credit: Heat Island

  20. "Bionic" Liquids from Lignin: Joint BioEnergy Institute Results Pave

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

    the Way for Closed-Loop Biofuel Refineries Bionic" Liquids from Lignin: Joint BioEnergy Institute Results Pave the Way for Closed-Loop Biofuel Refineries - Sandia Energy Energy Search Icon Sandia Home Locations Contact Us Employee Locator Energy & Climate Secure & Sustainable Energy Future Stationary Power Energy Conversion Efficiency Solar Energy Wind Energy Water Power Supercritical CO2 Geothermal Natural Gas Safety, Security & Resilience of the Energy Infrastructure

  1. Sandia algae raceway paves path from lab to real-world applications |

    National Nuclear Security Administration (NNSA)

    National Nuclear Security Administration | (NNSA) Sandia algae raceway paves path from lab to real-world applications Tuesday, February 9, 2016 - 9:25am NNSA Blog Sandia California held a ribbon cutting ceremony for the Algae Raceway Testing Facility last week. The new facility will help scientists advance laboratory research to real-world applications. In a twist of geometry, an oval can make a line. The new algae raceway testing facility at Sandia National Laboratories in California may be

  2. Asphalt emulsion radon barrier systems for uranium mill tailings: an overview of the technology

    SciTech Connect (OSTI)

    Baker, E.G.; Hartley, J.N.; Freeman, H.D.; Gates, T.E.; Nelson, D.A.; Dunning, R.L.

    1984-03-01

    Pacific Northwest Laboratory (PNL), under contract to the US Department of Energy (DOE) Uranium Mill Tailings Remedial Action Project (UMTRAP) office, has developed an asphalt emulsion cover system to reduce the release of radon from uranium mill tailings. The system has been field tested at Grand Junction, Colorado. Results from laboratory and field tests indicate that this system is effective in reducing radon release to near-background levels (<2.5 pCi m/sup -2/s/sup -1/) and has the properties required for long-term effectiveness and stability. Engineering specifications have been developed, and analysis indicates that asphalt emulsion covers are cost-competitive with other cover systems. This report summarizes the technology for asphalt emulsion radon barrier systems. 59 references, 45 figures, 36 tables.

  3. ACAA pavement manual. Recommended practice: Coal fly ash in pozzolanic stabilized mixtures for flexible pavement systems

    SciTech Connect (OSTI)

    Not Available

    1991-01-01

    The purpose of this manual is to guide pavement design engineers, materials engineers, and construction managers in the design and construction of flexible pavement systems in which low- to high-strength Pozzolanic Stabilized Mixtures' ( PSMs') serve as base layers. A PSM incorporates coal fly ash in combination with activators, aggregates and water. Each of three design methods is useful for determining the thickness of a PSM base layer for a flexible pavement system: Method A - American Association of State Highway and Transportation Officials (AASHTO) flexible pavement design procedures, using structural layer coefficients; Method B - Mechanistic pavement design procedures, using resilient modulus values for the pavement layers; and Method C - A combination of Method A and Method B, using mechanistic design concepts for determining pavement layer coefficients. PSMs offer several advantages: PSMs are strong, durable mixtures using locally available materials; PSMs are economically competitive with properly engineered full-depth asphalt or crushed stone base courses; PSMs are suited to stabilizing recycled base mixtures; and PSMs are placed and compacted with conventional construction equipment. To provide the needed guidance for capturing the long-term service and cost-saving features of a PSM design, this manual details the following: a procedure for proportioning PSMs; thickness design procedures which include base layer and asphalt wearing course; and proven techniques for PSM mixing and base layer construction.

  4. Surface roughness effects on the solar reflectance of cool asphalt...

    Office of Scientific and Technical Information (OSTI)

    The model is then used to compute the reflectance of shingles with a mixture of different colored granules, when the reflectances of the corresponding mono-color shingles are ...

  5. Computerized economic and statistical investigation of the Alabama liquid asphalt market for public entities

    SciTech Connect (OSTI)

    Morgan, J.E. Jr.

    1986-01-01

    This study outlines the development of an economic data base and techniques utilized in identifying noncompetitive practices in the sealed bid market for liquid asphalt products purchased by public entities in the State of Alabama. It describes the organization of data and methods for displaying salient characteristics of market conduct and performance. Likely areas of anticompetitive activity are identified from an examination of conditional factors influencing collusion in a market and of circumstantial evidence of collusive behavior of the vendors. Methods of detecting and analyzing suspicious behavior are indicated and applied to selected data. The conclusion reached was that collusion was present in the Alabama liquid asphalt market during 1971-1978. An antitrust action was initiated by the State. Damages were calculated from the data base using a GLM regression model. An out-of-court settlement was negotiated by the defendant vendors.

  6. Recycling spent sandblasting grit and similar wastes as aggregate in asphaltic concrete. Technical data sheet

    SciTech Connect (OSTI)

    Heath, J.C.; Nelson, B.

    1998-12-01

    The Naval Facilities Engineering Service Center (NFESC), Port Hueneme, California, and Naval Facilities Engineering Command Engineering Field Activity, West, San Bruno, California, took overall leadership in identifying and testing methods to manage waste generated from a machine shop located at Hunters Point Annex, at Naval Station, Treasure Island, California. Ship cleaning and equipment maintenance resulted in the accumulation of 4,665 tons of spent sandblasting grit at the site. The spent grit, consisting of silica sand plus a small amount of slag-derived grit, had the physical characteristics of coarse-grained beach sand and also contained fragments of coatings. The spent grit had the potential for exhibiting hazardous characteristics since the coatings included lead-based primers, copper, and butyltin-containing antifouling topcoats. The most beneficial application of reusing the spent grit was to use it as a replacement for some of the fine aggregate in asphaltic concrete. A test program was established that included characterization, bench-scale testing, long-term pilot scale testing, and a full-scale demonstration. Full-scale asphalt production provided samples which proved both the chemical leaching resistance and physical performance characteristics were acceptable.

  7. Intercalation of p-methycinnamic acid anion into Zn-Al layered double hydroxide to improve UV aging resistance of asphalt

    SciTech Connect (OSTI)

    Peng, Chao; Dai, Jing; Yu, Jianying; Yin, Jian

    2015-02-15

    A UV absorber, p-methycinnamic acid (PMCA), was intercalated into Zn-Al layered double hydroxide (LDH) by calcination recovery. Fourier transform infrared spectroscopy showed that the PMCA anions completely replaced the CO{sub 3}{sup 2−} anions in the interlayer galleries of Zn-Al-LDH containing PMCA anions (Zn-Al-PMCA-LDH). X-ray diffraction and transmission electron microscopy showed that the interlayer distance increased from 0.78 nm to 1.82 nm after the substitution of PMCA anions for CO{sub 3}{sup 2−} anions. The similar diffraction angles of the CO{sub 3}{sup 2−} anion-containing Zn-Al-LDH (Zn-Al-CO{sub 3}{sup 2−}-LDH) and the Zn-Al-CO{sub 3}{sup 2−}-LDH/styrene–butadiene–styrene (SBS) modified asphalt implied that the asphalt molecules do not enter into the LDH interlayer galleries to form separated-phase structures. The different diffraction angles of Zn-Al-PMCA-LDH and Zn-Al-PMCA-LDH/SBS modified asphalt indicated that the asphalt molecules penetrated into the LDH interlayer galleries to form an expanded-phase structure. UV-Vis absorbance analyses showed that Zn-Al-PMCA-LDH was better able to block UV light due to the synergistic effects of PMCA and Zn-Al-LDH. Conventional physical tests and atomic force microscopy images of the SBS modified asphalt, Zn-Al-CO{sub 3}{sup 2−}-LDH/SBS modified asphalt and Zn-Al-PMCA-LDH/SBS modified asphalt before and after UV aging indicated that Zn-Al-PMCA-LDH improved the UV aging resistance of SBS modified asphalts.

  8. Landfilling ash/sludge mixtures

    SciTech Connect (OSTI)

    Benoit, J.; Eighmy, T.T.; Crannell, B.S.

    1999-10-01

    The geotechnical properties of a mixture of municipal solid waste incinerator bottom ash and municipal wastewater treatment plant sludge was investigated for a proposed ash/sludge secure landfill. The components as well as mixtures ranging from 10:1 to 5:1 (ash:sludge, by volume) were evaluated, where appropriate, for a number of geotechnical index and mechanical properties including particle size, water content, specific gravity, density-moisture relationships, shear strength, and compressibility. The results from a compactibility study and stability analysis of the proposed landfill were used to help approve a landfill codisposal concept; a full-scale facility was constructed and is currently operating successfully.

  9. Cementitious barriers partnership concrete mixture characterization

    SciTech Connect (OSTI)

    Langton, C.; Protiere, Yannick

    2014-12-01

    This report summarizes the characterization study performed on two concrete mixtures used for radioactive waste storage.

  10. Investigation of the proposed solar-driven moisture phenomenon in asphalt shingle roofs

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

    Boudreaux, Philip; Pallin, Simon; Jackson, Roderick

    2016-01-19

    We report that unvented, sealed or conditioned attics are an energy efficiency measure to reduce the thermal load of the home and decrease the space conditioning energy consumption. This retrofit is usually done by using spray polyurethane foam underneath the roof sheathing and on the gables and soffits of an attic to provide a thermal and air barrier. Unvented attics perform well from this perspective but from a moisture perspective sometimes the unvented attic homes have high interior humidity or moisture damage to the roof. As homes become more air tight and energy efficient, an understanding of the hygrothermal dynamicsmore » of the home become more important. One proposed reason for high unvented attic humidity has been that moisture can come through the asphalt shingle roof system and increase the moisture content of the roof sheathing and attic air. This has been called solar driven moisture. Oak Ridge National Laboratory (ORNL) investigated this proposed phenomenon by examining the physical properties of a roof and the physics required for the phenomenon. Results showed that there are not favorable conditions for solar driven moisture to occur. ORNL also conducted an experimental study on an unvented attic home and compared the humidity below the roof sheathing before and after a vapor impermeable underlayment was installed. There was no statistically significant difference in absolute humidity before and after the vapor barrier was installed. Finally, the outcome of the theoretical and experimental study both suggest that solar driven moisture does not occur in any significant amount.« less

  11. Utilize Cementitious High Carbon Fly Ash (CHCFA) to Stabilize Cold In-Place Recycled (CIR) Asphalt Pavement as Base Coarse

    SciTech Connect (OSTI)

    Wen, Haifang; Li, Xiaojun; Edil, Tuncer; O'Donnell, Jonathan; Danda, Swapna

    2011-02-05

    The purpose of this study was to evaluate the performance of cementitious high carbon fly ash (CHCFA) stabilized recycled asphalt pavement as a base course material in a real world setting. Three test road cells were built at MnROAD facility in Minnesota. These cells have the same asphalt surface layers, subbases, and subgrades, but three different base courses: conventional crushed aggregates, untreated recycled pavement materials (RPM), and CHCFA stabilized RPM materials. During and after the construction of the three cells, laboratory and field tests were carried out to characterize the material properties. The test results were used in the mechanistic-empirical pavement design guide (MEPDG) to predict the pavement performance. Based on the performance prediction, the life cycle analyses of cost, energy consumption, and greenhouse gasses were performed. The leaching impacts of these three types of base materials were compared. The laboratory and field tests showed that fly ash stabilized RPM had higher modulus than crushed aggregate and RPM did. Based on the MEPDG performance prediction, the service life of the Cell 79 containing fly ash stabilized RPM, is 23.5 years, which is about twice the service life (11 years) of the Cell 77 with RPM base, and about three times the service life (7.5 years) of the Cell 78 with crushed aggregate base. The life cycle analysis indicated that the usage of the fly ash stabilized RPM as the base of the flexible pavement can significantly reduce the life cycle cost, the energy consumption, the greenhouse gases emission. Concentrations of many trace elements, particularly those with relatively low water quality standards, diminish over time as water flows through the pavement profile. For many elements, concentrations below US water drinking water quality standards are attained at the bottom of the pavement profile within 2-4 pore volumes of flow.

  12. Advanced Enzymes and Mixtures-final-sm

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

    enzyme mixtures to meet biorefinery conditions lowers conversion costs of lignocellulosic biomass to biofuel Genes are synthesized and expressed in an appropriate expression host, typically in E. Coli. Each enzyme is screened for activity across a range of temperatures, pH and biorefinery relevant conditions. An enzyme mixture developed by Sandia researchers that functions optimally at 70 °C and 20% of the ionic liquid 1-ethyl-3-methylimidazolium acetate. Biofuels: Advanced Enzymes and Mixtures

  13. Dielectric gas mixtures containing sulfur hexafluoride

    DOE Patents [OSTI]

    Cooke, Chathan M.

    1979-01-01

    Electrically insulating gaseous media of unexpectedly high dielectric strength comprised of mixtures of two or more dielectric gases are disclosed wherein the dielectric strength of at least one gas in each mixture increases at less than a linear rate with increasing pressure and the mixture gases are present in such proportions that the sum of their electrical discharge voltages at their respective partial pressures exceeds the electrical discharge voltage of each individual gas at the same temperature and pressure as that of the mixture.

  14. Deciding which chemical mixtures risk assessment methods work best for what mixtures

    SciTech Connect (OSTI)

    Teuschler, Linda K.

    2007-09-01

    The most commonly used chemical mixtures risk assessment methods involve simple notions of additivity and toxicological similarity. Newer methods are emerging in response to the complexities of chemical mixture exposures and effects. Factors based on both science and policy drive decisions regarding whether to conduct a chemical mixtures risk assessment and, if so, which methods to employ. Scientific considerations are based on positive evidence of joint toxic action, elevated human exposure conditions or the potential for significant impacts on human health. Policy issues include legislative drivers that may mandate action even though adequate toxicity data on a specific mixture may not be available and risk assessment goals that impact the choice of risk assessment method to obtain the amount of health protection desired. This paper discusses three important concepts used to choose among available approaches for conducting a chemical mixtures risk assessment: (1) additive joint toxic action of mixture components; (2) toxicological interactions of mixture components; and (3) chemical composition of complex mixtures. It is proposed that scientific support for basic assumptions used in chemical mixtures risk assessment should be developed by expert panels, risk assessment methods experts, and laboratory toxicologists. This is imperative to further develop and refine quantitative methods and provide guidance on their appropriate applications. Risk assessors need scientific support for chemical mixtures risk assessment methods in the form of toxicological data on joint toxic action for high priority mixtures, statistical methods for analyzing dose-response for mixtures, and toxicological and statistical criteria for determining sufficient similarity of complex mixtures.

  15. Ultracentrifuge for separating fluid mixtures

    DOE Patents [OSTI]

    Lowry, Ralph A.

    1976-01-01

    1. A centrifuge for the separation of fluid mixtures having light and heavy fractions comprising a cylindrical rotor, disc type end-plugs closing the ends of the rotor, means for mounting said rotor for rotation about its cylindrical axis, a housing member enclosing the rotor, a vacuum chamber in said housing about the central portion of the rotor, a collection chamber at each end of the housing, the innermost side of which is substantially formed by the outer face of the end-plug, means for preventing flow of the fluid from the collection chambers to said vacuum chamber, at least one of said end-plugs having a plurality of holes therethrough communicating between the collection chamber adjacent thereto and the inside of the rotor to induce countercurrent flow of the fluid in the centrifuge, means for feeding fluid to be processed into the centrifuge, means communicating with the collection chambers to extract the light and heavy separated fractions of the fluid, and means for rotating the rotor.

  16. THE RECOVERY OF URANIUM FROM GAS MIXTURE

    DOE Patents [OSTI]

    Jury, S.H.

    1964-03-17

    A method of separating uranium from a mixture of uranium hexafluoride and other gases is described that comprises bringing the mixture into contact with anhydrous calcium sulfate to preferentially absorb the uranium hexafluoride on the sulfate. The calcium sulfate is then leached with a selective solvent for the adsorbed uranium. (AEC)

  17. Gas mixtures for spark gap closing switches

    DOE Patents [OSTI]

    Christophorou, Loucas G.; McCorkle, Dennis L.; Hunter, Scott R.

    1988-01-01

    Gas mixtures for use in spark gap closing switches comprised of fluorocarbons and low molecular weight, inert buffer gases. To this can be added a third gas having a low ionization potential relative to the buffer gas. The gas mixtures presented possess properties that optimized the efficiency spark gap closing switches.

  18. Gas mixtures for spark gap closing switches

    DOE Patents [OSTI]

    Christophorou, L.G.; McCorkle, D.L.; Hunter, S.R.

    1987-02-20

    Gas mixtures for use in spark gap closing switches comprised of fluorocarbons and low molecular weight, inert buffer gases. To this can be added a third gas having a low ionization potential relative to the buffer gas. The gas mixtures presented possess properties that optimized the efficiency spark gap closing switches. 6 figs.

  19. Supercritical separation process for complex organic mixtures

    DOE Patents [OSTI]

    Chum, Helena L.; Filardo, Giuseppe

    1990-01-01

    A process is disclosed for separating low molecular weight components from complex aqueous organic mixtures. The process includes preparing a separation solution of supercritical carbon dioxide with an effective amount of an entrainer to modify the solvation power of the supercritical carbon dioxide and extract preselected low molecular weight components. The separation solution is maintained at a temperature of at least about 70.degree. C. and a pressure of at least about 1,500 psi. The separation solution is then contacted with the organic mixtures while maintaining the temperature and pressure as above until the mixtures and solution reach equilibrium to extract the preselected low molecular weight components from the organic mixtures. Finally, the entrainer/extracted components portion of the equilibrium mixture is isolated from the separation solution.

  20. Supercritical separation process for complex organic mixtures

    DOE Patents [OSTI]

    Chum, H.L.; Filardo, G.

    1990-10-23

    A process is disclosed for separating low molecular weight components from complex aqueous organic mixtures. The process includes preparing a separation solution of supercritical carbon dioxide with an effective amount of an entrainer to modify the solvation power of the supercritical carbon dioxide and extract preselected low molecular weight components. The separation solution is maintained at a temperature of at least about 70 C and a pressure of at least about 1,500 psi. The separation solution is then contacted with the organic mixtures while maintaining the temperature and pressure as above until the mixtures and solution reach equilibrium to extract the preselected low molecular weight components from the organic mixtures. Finally, the entrainer/extracted components portion of the equilibrium mixture is isolated from the separation solution. 1 fig.

  1. Solubility modeling of refrigerant/lubricant mixtures

    SciTech Connect (OSTI)

    Michels, H.H.; Sienel, T.H.

    1996-12-31

    A general model for predicting the solubility properties of refrigerant/lubricant mixtures has been developed based on applicable theory for the excess Gibbs energy of non-ideal solutions. In our approach, flexible thermodynamic forms are chosen to describe the properties of both the gas and liquid phases of refrigerant/lubricant mixtures. After an extensive study of models for describing non-ideal liquid effects, the Wohl-suffix equations, which have been extensively utilized in the analysis of hydrocarbon mixtures, have been developed into a general form applicable to mixtures where one component is a POE lubricant. In the present study we have analyzed several POEs where structural and thermophysical property data were available. Data were also collected from several sources on the solubility of refrigerant/lubricant binary pairs. We have developed a computer code (NISC), based on the Wohl model, that predicts dew point or bubble point conditions over a wide range of composition and temperature. Our present analysis covers mixtures containing up to three refrigerant molecules and one lubricant. The present code can be used to analyze the properties of R-410a and R-407c in mixtures with a POE lubricant. Comparisons with other models, such as the Wilson or modified Wilson equations, indicate that the Wohl-suffix equations yield more reliable predictions for HFC/POE mixtures.

  2. APPARATUS FOR HANDLING MIXTURES OF SOLID MATERIALS

    DOE Patents [OSTI]

    Hubbell, J.P.

    1959-08-25

    An apparatus is described for handling either a mixture of finely subdivided materials or a single material requiring a compacting action thereon preparatory to a chemical reducing process carried out in a crucible container. The apparatus is designed to deposit a mixture of dust-forming solid materials in a container while confining the materials against escape into the surrounding atmosphere. A movable filling tube, having a compacting member, is connected to the container and to a covered hopper receiving the mixture of materials. The filling tube is capable of reciprocating in the container and their relative positions are dependent upon the pressure established upon the material by the compacting member.

  3. Flash evaporation of liquid monomer particle mixture

    DOE Patents [OSTI]

    Affinito, John D.; Darab, John G.; Gross, Mark E.

    1999-01-01

    The present invention is a method of making a first solid composite polymer layer. The method has the steps of (a) mixing a liquid monomer with particles substantially insoluble in the liquid monomer forming a monomer particle mixture; (b) flash evaporating the particle mixture and forming a composite vapor; and (c) continuously cryocondensing said composite vapor on a cool substrate and cross-linking the cryocondensed film thereby forming the polymer layer.

  4. Flash evaporation of liquid monomer particle mixture

    DOE Patents [OSTI]

    Affinito, J.D.; Darab, J.G.; Gross, M.E.

    1999-05-11

    The present invention is a method of making a first solid composite polymer layer. The method has the steps of (a) mixing a liquid monomer with particles substantially insoluble in the liquid monomer forming a monomer particle mixture; (b) flash evaporating the particle mixture and forming a composite vapor; and (c) continuously cryocondensing said composite vapor on a cool substrate and cross-linking the cryocondensed film thereby forming the polymer layer. 3 figs.

  5. Diffusion method of seperating gaseous mixtures

    DOE Patents [OSTI]

    Pontius, Rex B.

    1976-01-01

    A method of effecting a relatively large change in the relative concentrations of the components of a gaseous mixture by diffusion which comprises separating the mixture into heavier and lighter portions according to major fraction mass recycle procedure, further separating the heavier portions into still heavier subportions according to a major fraction mass recycle procedure, and further separating the lighter portions into still lighter subportions according to a major fraction equilibrium recycle procedure.

  6. Gas mixtures for spark gap closing switches (Patent) | DOEPatents

    Office of Scientific and Technical Information (OSTI)

    Gas mixtures for spark gap closing switches Title: Gas mixtures for spark gap closing switches Gas mixtures for use in spark gap closing switches comprised of fluorocarbons and low ...

  7. Ternary gas mixture for diffuse discharge switch (Patent) | DOEPatents

    Office of Scientific and Technical Information (OSTI)

    Ternary gas mixture for diffuse discharge switch Title: Ternary gas mixture for diffuse discharge switch A new diffuse discharge gas switch wherein a mixture of gases is used to ...

  8. Novel anisole mixture and gasoline containing the same

    DOE Patents [OSTI]

    Singerman, Gary M.

    1982-01-26

    A novel anisole mixture containing anisole and a mixture of alkyl anisoles and liquid hydrocarbon fuels containing said novel anisole mixture in an amount sufficient to increase the octane number of said liquid fuel composition.

  9. Binary and ternary gas mixtures with temperature enhanced diffuse...

    Office of Scientific and Technical Information (OSTI)

    Binary and ternary gas mixtures with temperature enhanced diffuse glow discharge characteristics for use in closing switches Title: Binary and ternary gas mixtures with temperature ...

  10. Diesel HCCI with External Mixture Preparation | Department of...

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

    with External Mixture Preparation Diesel HCCI with External Mixture Preparation 2004 Diesel Engine Emissions Reduction (DEER) Conference Presentation: The Ohio State University PDF ...

  11. Mixed-mode diesel HCCI with External Mixture Formation: Preliminary...

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

    Mixed-mode diesel HCCI with External Mixture Formation: Preliminary Results Mixed-mode diesel HCCI with External Mixture Formation: Preliminary Results 2003 DEER Conference ...

  12. Method and apparatus for separating mixtures of gases using an...

    Office of Scientific and Technical Information (OSTI)

    Method and apparatus for separating mixtures of gases using an acoustic wave Title: Method and apparatus for separating mixtures of gases using an acoustic wave A thermoacoustic ...

  13. Transport in a highly asymmetric binary fluid mixture (Journal...

    Office of Scientific and Technical Information (OSTI)

    Journal Article: Transport in a highly asymmetric binary fluid mixture Citation Details ... Language: English Subject: 71 CLASSICAL AND QUANTUMM MECHANICS, GENERAL PHYSICS; MIXTURES; ...

  14. Coal-water mixture fuel burner

    DOE Patents [OSTI]

    Brown, T.D.; Reehl, D.P.; Walbert, G.F.

    1985-04-29

    The present invention represents an improvement over the prior art by providing a rotating cup burner arrangement for use with a coal-water mixture fuel which applies a thin, uniform sheet of fuel onto the inner surface of the rotating cup, inhibits the collection of unburned fuel on the inner surface of the cup, reduces the slurry to a collection of fine particles upon discharge from the rotating cup, and further atomizes the fuel as it enters the combustion chamber by subjecting it to the high shear force of a high velocity air flow. Accordingly, it is an object of the present invention to provide for improved combustion of a coal-water mixture fuel. It is another object of the present invention to provide an arrangement for introducing a coal-water mixture fuel into a combustion chamber in a manner which provides improved flame control and stability, more efficient combustion of the hydrocarbon fuel, and continuous, reliable burner operation. Yet another object of the present invention is to provide for the continuous, sustained combustion of a coal-water mixture fuel without the need for a secondary combustion source such as natural gas or a liquid hydrocarbon fuel. Still another object of the present invention is to provide a burner arrangement capable of accommodating a coal-water mixture fuel having a wide range of rheological and combustion characteristics in providing for its efficient combustion. 7 figs.

  15. Detailed Kinetic Modeling of Gasoline Surrogate Mixtures

    SciTech Connect (OSTI)

    Mehl, M; Curran, H J; Pitz, W J; Westbrook, C K

    2009-03-09

    Real fuels are complex mixtures of thousands of hydrocarbon compounds including linear and branched paraffins, naphthenes, olefins and aromatics. It is generally agreed that their behavior can be effectively reproduced by simpler fuel surrogates containing a limited number of components. In this work, a recently revised version of the kinetic model by the authors is used to analyze the combustion behavior of several components relevant to gasoline surrogate formulation. Particular attention is devoted to linear and branched saturated hydrocarbons (PRF mixtures), olefins (1-hexene) and aromatics (toluene). Model predictions for pure components, binary mixtures and multi-component gasoline surrogates are compared with recent experimental information collected in rapid compression machine, shock tube and jet stirred reactors covering a wide range of conditions pertinent to internal combustion engines. Simulation results are discussed focusing attention on the mixing effects of the fuel components.

  16. Steam drying of products containing solvent mixtures

    SciTech Connect (OSTI)

    Pothmann, E.; Schluender, E.U. [Univ. Karlsruhe (Germany). Inst. fuer Thermische Verfahrenstechnik

    1995-12-31

    Drying experiments with single, porous spheres wetted with mixtures of 2-propanol and water were performed using superheated steam, air, or steam-air mixtures as drying agent. Both the drying rate and the moisture composition were determined experimentally for different temperatures and compositions of the drying agent and for different initial compositions of the moisture. It is shown that evaporation of 2-propanol is enhanced by using superheated steam as drying agent instead of air due to steam condensing on the sample. While the overall drying rate increases with rising steam temperature, the evaporation rate of 2-propanol is hardly affected. When drying samples containing mixtures of 2-propanol and water, internal boiling can occur depending on the vapor-liquid equilibrium. Vapor generated inside the sample may cause mechanical dewatering of the sample which greatly increases the drying rate.

  17. SOLAR HEATING OF TANK BOTTOMS Application of Solar Heating to Asphaltic and Parrafinic Oils Reducing Fuel Costs and Greenhouse Gases Due to Use of Natural Gas and Propane

    SciTech Connect (OSTI)

    Eugene A. Fritzler

    2005-09-01

    The sale of crude oil requires that the crude meet product specifications for BS&W, temperature, pour point and API gravity. The physical characteristics of the crude such as pour point and viscosity effect the efficient loading, transport, and unloading of the crude oil. In many cases, the crude oil has either a very high paraffin content or asphalt content which will require either hot oiling or the addition of diluents to the crude oil to reduce the viscosity and the pour point of the oil allowing the crude oil to be readily loaded on to the transport. Marginal wells are significantly impacted by the cost of preheating the oil to an appropriate temperature to allow for ease of transport. Highly paraffinic and asphaltic oils exist throughout the D-J basin and generally require pretreatment during cold months prior to sales. The current study addresses the use of solar energy to heat tank bottoms and improves the overall efficiency and operational reliability of stripper wells.

  18. Oxidative particle mixtures for groundwater treatment

    DOE Patents [OSTI]

    Siegrist, Robert L.; Murdoch, Lawrence C.

    2000-01-01

    The invention is a method and a composition of a mixture for degradation and immobilization of contaminants in soil and groundwater. The oxidative particle mixture and method includes providing a material having a minimal volume of free water, mixing at least one inorganic oxidative chemical in a granular form with a carrier fluid containing a fine grained inorganic hydrophilic compound and injecting the resulting mixture into the subsurface. The granular form of the inorganic oxidative chemical dissolves within the areas of injection, and the oxidative ions move by diffusion and/or advection, therefore extending the treatment zone over a wider area than the injection area. The organic contaminants in the soil and groundwater are degraded by the oxidative ions, which form solid byproducts that can sorb significant amounts of inorganic contaminants, metals, and radionuclides for in situ treatment and immobilization of contaminants. The method and composition of the oxidative particle mixture for long-term treatment and immobilization of contaminants in soil and groundwater provides for a reduction in toxicity of contaminants in a subsurface area of contamination without the need for continued injection of treatment material, or for movement of the contaminants, or without the need for continuous pumping of groundwater through the treatment zone, or removal of groundwater from the subsurface area of contamination.

  19. Superconductor precursor mixtures made by precipitation method

    DOE Patents [OSTI]

    Bunker, Bruce C.; Lamppa, Diana L.; Voigt, James A.

    1989-01-01

    Method and apparatus for preparing highly pure homogeneous precursor powder mixtures for metal oxide superconductive ceramics. The mixes are prepared by instantaneous precipitation from stoichiometric solutions of metal salts such as nitrates at controlled pH's within the 9 to 12 range, by addition of solutions of non-complexing pyrolyzable cations, such as alkyammonium and carbonate ions.

  20. Methods and systems for deacidizing gaseous mixtures

    DOE Patents [OSTI]

    Hu, Liang

    2010-05-18

    An improved process for deacidizing a gaseous mixture using phase enhanced gas-liquid absorption is described. The process utilizes a multiphasic absorbent that absorbs an acid gas at increased rate and leads to reduced overall energy costs for the deacidizing operation.

  1. Laminar flame speeds of moist syngas mixtures

    SciTech Connect (OSTI)

    Das, Apurba K. [Department of Mechanical and Aerospace Engineering, Case Western Reserve University, Cleveland, OH 44106 (United States); Kumar, Kamal; Sung, Chih-Jen [Department of Mechanical Engineering, University of Connecticut, Storrs, CT 06269 (United States)

    2011-02-15

    This work experimentally investigates the effect of the presence of water vapor on the laminar flame speeds of moist syngas/air mixtures using the counterflow twin-flame configuration. The experimental results presented here are for fuel lean syngas mixtures with molar percentage of hydrogen in the hydrogen and carbon monoxide mixture varying from 5% to 100%, for an unburned mixture temperature of 323 K, and under atmospheric pressure. At a given equivalence ratio, the effect of varying amount of water vapor addition on the measured laminar flame speed is demonstrated. The experimental laminar flame speeds are also compared with computed values using chemical kinetic mechanisms reported in the literature. It is found that laminar flame speed varies non-monotonically with addition of water for the carbon monoxide rich mixtures. It first increases with increasing amount of water addition, reaches a maximum value, and then decreases. An integrated reaction path analysis is further conducted to understand the controlling mechanism responsible for the non-monotonic variation in laminar flame speed due to water addition. On the other hand, for higher values of H{sub 2}/CO ratio the laminar flame speed monotonically decreases with increasing water addition. It is shown that the competition between the chemical and thermal effects of water addition leads to the observed response. Furthermore, reaction rate sensitivity analysis as well as binary diffusion coefficient sensitivity analysis are conducted to identify the possible sources of discrepancy between the experimental and predicted values. The sensitivity results indicate that the reaction rate constant of H{sub 2}+OH = H{sub 2}O+H is worth revisiting and refinement of binary diffusion coefficient data of N{sub 2}-H{sub 2}O, N{sub 2}-H{sub 2}, and H{sub 2}-H{sub 2}O pairs can be considered. (author)

  2. Dual-water mixture fuel burner

    DOE Patents [OSTI]

    Brown, Thomas D.; Reehl, Douglas P.; Walbert, Gary F.

    1986-08-05

    A coal-water mixture (CWM) burner includes a conically shaped rotating cup into which fuel comprised of coal particles suspended in a slurry is introduced via a first, elongated inner tube coupled to a narrow first end portion of the cup. A second, elongated outer tube is coaxially positioned about the first tube and delivers steam to the narrow first end of the cup. The fuel delivery end of the inner first tube is provided with a helical slot on its lateral surface for directing the CWM onto the inner surface of the rotating cup in the form of a uniform, thin sheet which, under the influence of the cup's centrifugal force, flows toward a second, open, expanded end portion of the rotating cup positioned immediately adjacent to a combustion chamber. The steam delivered to the rotating cup wets its inner surface and inhibits the coal within the CWM from adhering to the rotating cup. A primary air source directs a high velocity air flow coaxially about the expanded discharge end of the rotating cup for applying a shear force to the CWM in atomizing the fuel mixture for improved combustion. A secondary air source directs secondary air into the combustion chamber adjacent to the outlet of the rotating cup at a desired pitch angle relative to the fuel mixture/steam flow to promote recirculation of hot combustion gases within the ignition zone for increased flame stability.

  3. Ethane-xenon mixtures under shock conditions

    SciTech Connect (OSTI)

    Magyar, Rudolph J.; Root, Seth; Mattsson, Thomas; Cochrane, Kyle Robert; Flicker, Dawn G.

    2015-04-22

    Mixtures of light elements with heavy elements are important in inertial confinement fusion. We explore the physics of molecular scale mixing through a validation study of equation of state (EOS) properties. Density functional theory molecular dynamics (DFT-MD) at elevated temperature and pressure is used to obtain the thermodynamic state properties of pure xenon, ethane, and various compressed mixture compositions along their principal Hugoniots. In order to validate these simulations, we have performed shock compression experiments using the Sandia Z-Machine. A bond tracking analysis correlates the sharp rise in the Hugoniot curve with the completion of dissociation in ethane. Furthermore, the DFT-based simulation results compare well with the experimental data along the principal Hugoniots and are used to provide insight into the dissociation and temperature along the Hugoniots as a function of mixture composition. Interestingly, we find that the compression ratio for complete dissociation is similar for several compositions suggesting a limiting compression for C-C bonded systems.

  4. Separation of gas mixtures by thermoacoustic waves.

    SciTech Connect (OSTI)

    Swift, G. W.; Geller, D. A.

    2001-01-01

    Imposing sound on a binary gas mixture in a duct separates the two gases along the acoustic-propagation axis. Mole-fraction differences as large as 10% and separation fluxes as high as 0.001 M-squared c, where M is Mach number and c is sound speed, are easily observed. We describe the accidental discovery of this phenomenon in a helium-xenon mixture, subsequent experiments with a helium-argon mixture, and theoretical developments. The phenomenon occurs because a thin layer of the gas adjacent to the wall is immobilized by viscosity while the rest of the gas moves back and forth with the wave, and the heat capacity of the wall holds this thin layer of the gas at constant temperature while the rest of the gas experiences temperature oscillations due to the wave's oscillating pressure. The oscillating temperature gradient causes the light and heavy atoms in the gas to take turns diffusing into and out of the immobilized layer, so that the oscillating motion of the wave outside the immobilized layer tends to carry light-enriched gas in one direction and heavy-enriched gas in the opposite direction. Experiment and theory are in very good agreement for the initial separation fluxes and the saturation mole-fraction differences.

  5. SEPARATION OF GAS MIXTURES BY THERMOACOUSTIC WAVES

    SciTech Connect (OSTI)

    G.W. SWIFT; D.A. GELLER; P.S. SPOOR

    2001-06-01

    Imposing sound on a binary gas mixture in a duct separates the two gases along the acoustic-propagation axis. Mole-fraction differences as large as 10% and separation fluxes as high as 0.001 M-squared c, where M is Mach number and c is sound speed, are easily observed. We describe the accidental discovery of this phenomenon in a helium-xenon mixture, subsequent experiments with a helium-argon mixture, and theoretical developments. The phenomenon occurs because a thin layer of the gas adjacent to the wall is immobilized by viscosity while the rest of the gas moves back and forth with the wave, and the heat capacity of the wall holds this thin layer of the gas at constant temperature while the rest of the gas experiences temperature oscillations due to the wave's oscillating pressure. The oscillating temperature gradient causes the light and heavy atoms in the gas to take turns diffusing into and out of the immobilized layer, so that the oscillating motion of the wave outside the immobilized layer tends to carry light-enriched gas in one direction and heavy-enriched gas in the opposite direction. Experiment and theory are in very good agreement for the initial separation fluxes and the saturation mole-fraction differences.

  6. Ethane-xenon mixtures under shock conditions

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

    Magyar, Rudolph J.; Root, Seth; Mattsson, Thomas; Cochrane, Kyle Robert; Flicker, Dawn G.

    2015-04-22

    Mixtures of light elements with heavy elements are important in inertial confinement fusion. We explore the physics of molecular scale mixing through a validation study of equation of state (EOS) properties. Density functional theory molecular dynamics (DFT-MD) at elevated temperature and pressure is used to obtain the thermodynamic state properties of pure xenon, ethane, and various compressed mixture compositions along their principal Hugoniots. In order to validate these simulations, we have performed shock compression experiments using the Sandia Z-Machine. A bond tracking analysis correlates the sharp rise in the Hugoniot curve with the completion of dissociation in ethane. Furthermore, themore » DFT-based simulation results compare well with the experimental data along the principal Hugoniots and are used to provide insight into the dissociation and temperature along the Hugoniots as a function of mixture composition. Interestingly, we find that the compression ratio for complete dissociation is similar for several compositions suggesting a limiting compression for C-C bonded systems.« less

  7. Liquid class predictor for liquid handling of complex mixtures

    DOE Patents [OSTI]

    Seglke, Brent W.; Lekin, Timothy P.

    2008-12-09

    A method of establishing liquid classes of complex mixtures for liquid handling equipment. The mixtures are composed of components and the equipment has equipment parameters. The first step comprises preparing a response curve for the components. The next step comprises using the response curve to prepare a response indicator for the mixtures. The next step comprises deriving a model that relates the components and the mixtures to establish the liquid classes.

  8. Operation of drift chambers with helium based mixtures

    SciTech Connect (OSTI)

    Sharma, A. ); Sauli, F. )

    1994-08-01

    Helium based gas mixtures have been investigated for lowering multiple scattering contributions to the momentum resolution for intermediate energy particles. The relevant transport parameters, namely drift velocity and diffusion have been calculated for several mixtures and compared to standard argon based mixtures. Some fast, low diffusion mixtures have been identified. The small Lorentz angle computed make them promising candidates for drift chamber operation in magnetic fields. Measurements on high accuracy drift chambers in a test beam with a helium-DME (dimethyl ether) (70-30) mixture have resulted in a spatial resolution ranging from 70[mu]m to 100[mu]m.

  9. Foaming characteristics of refigerant/lubricant mixtures

    SciTech Connect (OSTI)

    Goswami, D.Y.; Shah, D.O.; Jotshi, C.K.; Bhagwat, S.; Leung, M.; Gregory, A.

    1997-04-01

    The air-conditioning and refrigeration industry has moved to HFC refrigerants which have zero ozone depletion and low global warming potential due to regulations on CFC and HCFC refrigerants and concerns for the environment. The change in refrigerants has prompted the switch from mineral oil and alkylbenzene lubricants to polyolester-based lubricants. This change has also brought about a desire for lubricant, refrigerant and compressor manufacturers to understand the foaming properties of alternative refrigerant/ lubricant mixtures, as well as the mechanisms which affect these properties. The objectives of this investigation are to experimentally determine the foaming absorption and desorption rates of HFC and blended refrigerants in polyolester lubricant and to define the characteristics of the foam formed when the refrigerant leaves the refrigerant/ lubricant mixture after being exposed to a pressure drop. The refrigerants being examined include baseline refrigerants: CFC-12 (R-12) and HCFC-22 (R-22); alternative refrigerants: HFC-32 (R-32), R-125, R-134a, and R-143a; and blended refrigerants: R-404A, R-407C, and R-410A. The baseline refrigerants are tested with ISO 32 (Witco 3GS) and ISO 68 (4GS) mineral oils while the alternative and blended refrigerants are tested with two ISO 68 polyolesters (Witco SL68 and ICI RL68H).

  10. Urea and deuterium mixtures at high pressures

    SciTech Connect (OSTI)

    Donnelly, M. Husband, R. J.; Frantzana, A. D.; Loveday, J. S.; Bull, C. L.; Klotz, S.

    2015-03-28

    Urea, like many network forming compounds, has long been known to form inclusion (guest-host) compounds. Unlike other network formers like water, urea is not known to form such inclusion compounds with simple molecules like hydrogen. Such compounds if they existed would be of interest both for the fundamental insight they provide into molecular bonding and as potential gas storage systems. Urea has been proposed as a potential hydrogen storage material [T. A. Strobel et al., Chem. Phys. Lett. 478, 97 (2009)]. Here, we report the results of high-pressure neutron diffraction studies of urea and D{sub 2} mixtures that indicate no inclusion compound forms up to 3.7 GPa.

  11. Nuclear fuel alloys or mixtures and method of making thereof

    DOE Patents [OSTI]

    Mariani, Robert Dominick; Porter, Douglas Lloyd

    2016-04-05

    Nuclear fuel alloys or mixtures and methods of making nuclear fuel mixtures are provided. Pseudo-binary actinide-M fuel mixtures form alloys and exhibit: body-centered cubic solid phases at low temperatures; high solidus temperatures; and/or minimal or no reaction or inter-diffusion with steel and other cladding materials. Methods described herein through metallurgical and thermodynamics advancements guide the selection of amounts of fuel mixture components by use of phase diagrams. Weight percentages for components of a metallic additive to an actinide fuel are selected in a solid phase region of an isothermal phase diagram taken at a temperature below an upper temperature limit for the resulting fuel mixture in reactor use. Fuel mixtures include uranium-molybdenum-tungsten, uranium-molybdenum-tantalum, molybdenum-titanium-zirconium, and uranium-molybdenum-titanium systems.

  12. Summary of the issues with regard to the carcinogenicity, mutagenicity, and exposure of polycyclic organic matter (POM)

    SciTech Connect (OSTI)

    Not Available

    1984-04-01

    Polycyclic organic matter (POM) is emitted from a variety of sources in the environment. Evidence of the carcinogenicity of emissions from coke production, motor vehicles (includes tire wear), asphalt roofing, paving, and air blowing, catalytic cracking residential coal combustion, industrial/utility coal combustion, carbon black, and iron and steel processes is presented. The contribution of the POM fraction to the carcinogenicity of the mixture is evaluated for gasoline engine exhaust condensate and coal combustion effluent and appears to contribute the majority of the carcinogenic potential for those mixtures. Evidence of the mutagenicity of emissions from coke production, motor vehicles (including tire wear), industrial/utility coal combustion, carbon black, iron and steel processes, forest fires and open burning, residential solid fuel (wood) combustion, commercial and other incineration, commercial/industrial oil combustion, residential oil combustion, and asphalt roofing, paving, and air blowing is also presented. The problem in the use of a chemical surrogate to sample for POM-containing emissions is discussed. A discussion of the problems in evaluating the carcinogenic potential of different POM-containing mixtures is also presented.

  13. Determining inert content in coal dust/rock dust mixture

    DOE Patents [OSTI]

    Sapko, Michael J.; Ward, Jr., Jack A.

    1989-01-01

    A method and apparatus for determining the inert content of a coal dust and rock dust mixture uses a transparent window pressed against the mixture. An infrared light beam is directed through the window such that a portion of the infrared light beam is reflected from the mixture. The concentration of the reflected light is detected and a signal indicative of the reflected light is generated. A normalized value for the generated signal is determined according to the relationship .phi.=(log i.sub.c `log i.sub.co) / (log i.sub.c100 -log i.sub.co) where i.sub.co =measured signal at 0% rock dust i.sub.c100 =measured signal at 100% rock dust i.sub.c =measured signal of the mixture. This normalized value is then correlated to a predetermined relationship of .phi. to rock dust percentage to determine the rock dust content of the mixture. The rock dust content is displayed where the percentage is between 30 and 100%, and an indication of out-of-range is displayed where the rock dust percent is less than 30%. Preferably, the rock dust percentage (RD%) is calculated from the predetermined relationship RD%=100+30 log .phi.. where the dust mixture initially includes moisture, the dust mixture is dried before measuring by use of 8 to 12 mesh molecular-sieves which are shaken with the dust mixture and subsequently screened from the dust mixture.

  14. Specific heat and thermal conductivity of explosives, mixtures...

    Office of Scientific and Technical Information (OSTI)

    Specific heat and thermal conductivity of explosives, mixtures, and plastic-bonded explosives determined experimentally Baytos, J.F. 45 MILITARY TECHNOLOGY, WEAPONRY, AND NATIONAL...

  15. A simplified procedure for estimation of mixture permeances from...

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

    simplified procedure for estimation of mixture permeances from unary permeation data Previous Next List Rajamani Krishna, Jasper M. van Baten, J. Membr. Sci., 367, 204-210 (2011)...

  16. Prediction of New Hydrogen Storage Compounds and Mixtures

    Broader source: Energy.gov [DOE]

    Presentation on the Prediction of New Hydrogen Storage Compounds and Mixtures given at the DOE Theory Focus Session on Hydrogen Storage Materials on May 18, 2006.

  17. Hydrodynamic 'memory' of binary fluid mixtures

    SciTech Connect (OSTI)

    Kalashnik, M. V.; Ingel, L. Kh.

    2006-07-15

    A theoretical analysis is presented of hydrostatic adjustment in a two-component fluid system, such as seawater stratified with respect to temperature and salinity. Both linear approximation and nonlinear problem are investigated. It is shown that scenarios of relaxation to a hydrostatically balanced state in binary fluid mixtures may substantially differ from hydrostatic adjustment in fluids that can be stratified only with respect to temperature. In particular, inviscid two-component fluids have 'memory': a horizontally nonuniform disturbance in the initial temperature or salinity distribution does not vanish even at the final stage, transforming into a persistent thermohaline 'trace.' Despite stability of density stratification and convective stability of the fluid system by all known criteria, an initial temperature disturbance may not decay and may even increase in amplitude. Moreover, its sign may change (depending on the relative contributions of temperature and salinity to stable background density stratification). Hydrostatic adjustment may involve development of discontinuous distributions from smooth initial temperature or concentration distributions. These properties of two-component fluids explain, in particular, the occurrence of persistent horizontally or vertically nonuniform temperature and salinity distributions in the ocean, including discontinuous ones.

  18. System for identifying known materials within a mixture of unknowns

    DOE Patents [OSTI]

    Wagner, John S.

    1999-01-01

    One or both of two methods and systems are used to determine concentration of a known material in an unknown mixture on the basis of the measured interaction of electromagnetic waves upon the mixture. One technique is to utilize a multivariate analysis patch technique to develop a library of optimized patches of spectral signatures of known materials containing only those pixels most descriptive of the known materials by an evolutionary algorithm. Identity and concentration of the known materials within the unknown mixture is then determined by minimizing the residuals between the measurements from the library of optimized patches and the measurements from the same pixels from the unknown mixture. Another technique is to train a neural network by the genetic algorithm to determine the identity and concentration of known materials in the unknown mixture. The two techniques may be combined into an expert system providing cross checks for accuracy.

  19. Method for identifying known materials within a mixture of unknowns

    DOE Patents [OSTI]

    Wagner, John S.

    2000-01-01

    One or both of two methods and systems are used to determine concentration of a known material in an unknown mixture on the basis of the measured interaction of electromagnetic waves upon the mixture. One technique is to utilize a multivariate analysis patch technique to develop a library of optimized patches of spectral signatures of known materials containing only those pixels most descriptive of the known materials by an evolutionary algorithm. Identity and concentration of the known materials within the unknown mixture is then determined by minimizing the residuals between the measurements from the library of optimized patches and the measurements from the same pixels from the unknown mixture. Another technique is to train a neural network by the genetic algorithm to determine the identity and concentration of known materials in the unknown mixture. The two techniques may be combined into an expert system providing cross checks for accuracy.

  20. System for identifying known materials within a mixture of unknowns

    DOE Patents [OSTI]

    Wagner, J.S.

    1999-07-20

    One or both of two methods and systems are used to determine concentration of a known material in an unknown mixture on the basis of the measured interaction of electromagnetic waves upon the mixture. One technique is to utilize a multivariate analysis patch technique to develop a library of optimized patches of spectral signatures of known materials containing only those pixels most descriptive of the known materials by an evolutionary algorithm. Identity and concentration of the known materials within the unknown mixture is then determined by minimizing the residuals between the measurements from the library of optimized patches and the measurements from the same pixels from the unknown mixture. Another technique is to train a neural network by the genetic algorithm to determine the identity and concentration of known materials in the unknown mixture. The two techniques may be combined into an expert system providing cross checks for accuracy. 37 figs.

  1. IGNITION IMPROVEMENT OF LEAN NATURAL GAS MIXTURES

    SciTech Connect (OSTI)

    Jason M. Keith

    2005-02-01

    This report describes work performed during a thirty month project which involves the production of dimethyl ether (DME) on-site for use as an ignition-improving additive in a compression-ignition natural gas engine. A single cylinder spark ignition engine was converted to compression ignition operation. The engine was then fully instrumented with a cylinder pressure transducer, crank shaft position sensor, airflow meter, natural gas mass flow sensor, and an exhaust temperature sensor. Finally, the engine was interfaced with a control system for pilot injection of DME. The engine testing is currently in progress. In addition, a one-pass process to form DME from natural gas was simulated with chemical processing software. Natural gas is reformed to synthesis gas (a mixture of hydrogen and carbon monoxide), converted into methanol, and finally to DME in three steps. Of additional benefit to the internal combustion engine, the offgas from the pilot process can be mixed with the main natural gas charge and is expected to improve engine performance. Furthermore, a one-pass pilot facility was constructed to produce 3.7 liters/hour (0.98 gallons/hour) DME from methanol in order to characterize the effluent DME solution and determine suitability for engine use. Successful production of DME led to an economic estimate of completing a full natural gas-to-DME pilot process. Additional experimental work in constructing a synthesis gas to methanol reactor is in progress. The overall recommendation from this work is that natural gas to DME is not a suitable pathway to improved natural gas engine performance. The major reasons are difficulties in handling DME for pilot injection and the large capital costs associated with DME production from natural gas.

  2. U.S. Energy Information Administration | State Energy Data 2014: Prices and Expenditures

    Gasoline and Diesel Fuel Update (EIA)

    7 Asphalt: A dark brown-to-black cement-like material obtained by petroleum processing and containing bitumens as the predominant component; used primarily for road construction. It includes crude asphalt as well as the following finished products: cements, fluxes, the asphalt content of emulsions (exclusive of water), and petroleum distillates blended with asphalt to make cutback asphalts. ASTM: The American Society for Testing and Materials. Aviation gasoline (finished): A complex mixture of

  3. Improved gas mixtures for gas-filled particle detectors

    DOE Patents [OSTI]

    Christophorou, L.G.; McCorkle, D.L.; Maxey, D.V.; Carter, J.G.

    Improved binary and tertiary gas mixture for gas-filled particle detectors are provided. The components are chosen on the basis of the principle that the first component is one gas or mixture of two gases having a large electron scattering cross section at energies of about 0.5 eV and higher, and the second component is a gas (Ar) having a very small cross section at and below about 0.5 eV; whereby fast electrons in the gaseous mixture are slowed into the energy range of about 0.5 eV where the cross section for the mixture is small and hence the electron mean free path is large. The reduction in both the cross section and the electron energy results in an increase in the drift velocity of the electrons in the gas mixtures over that for the separate components for a range of E/P (pressure-reduced electron field) values. Several gas mixtures are provided that provide faster response in gas-filled detectors for convenient E/P ranges as compared with conventional gas mixtures.

  4. Gas mixtures for gas-filled radiation detectors

    DOE Patents [OSTI]

    Christophorou, Loucas G.; McCorkle, Dennis L.; Maxey, David V.; Carter, James G.

    1982-01-05

    Improved binary and ternary gas mixtures for gas-filled radiation detectors are provided. The components are chosen on the basis of the principle that the first component is one molecular gas or mixture of two molecular gases having a large electron scattering cross section at energies of about 0.5 eV and higher, and the second component is a noble gas having a very small cross section at and below about 1.0 eV, whereby fast electrons in the gaseous mixture are slowed into the energy range of about 0.5 eV where the cross section for the mixture is small and hence the electron mean free path is large. The reduction in both the cross section and the electron energy results in an increase in the drift velocity of the electrons in the gas mixtures over that for the separate components for a range of E/P (pressure-reduced electric field) values. Several gas mixtures are provided that provide faster response in gas-filled detectors for convenient E/P ranges as compared with conventional gas mixtures.

  5. Gas mixtures for gas-filled particle detectors

    DOE Patents [OSTI]

    Christophorou, Loucas G.; McCorkle, Dennis L.; Maxey, David V.; Carter, James G.

    1980-01-01

    Improved binary and tertiary gas mixtures for gas-filled particle detectors are provided. The components are chosen on the basis of the principle that the first component is one gas or mixture of two gases having a large electron scattering cross section at energies of about 0.5 eV and higher, and the second component is a gas (Ar) having a very small cross section at and below aout 0.5 eV, whereby fast electrons in the gaseous mixture are slowed into the energy range of about 0.5 eV where the cross section for the mixture is small and hence the electron mean free path is large. The reduction in both the cross section and the electron energy results in an increase in the drift velocity of the electrons in the gas mixtures over that for the separate components for a range of E/P (pressure-reduced electron field) values. Several gas mixtures are provided that provide faster response in gas-filled detectors for convenient E/P ranges as compared with conventional gas mixtures.

  6. Improved gas mixtures for gas-filled radiation detectors

    DOE Patents [OSTI]

    Christophorou, L.G.; McCorkle, D.L.; Maxey, D.V.; Carter, J.G.

    1980-03-28

    Improved binary and ternary gas mixtures for gas-filled radiation detectors are provided. The components are chosen on the basis of the principle that the first component is one molecular gas or mixture of two molecular gases having a large electron scattering cross section at energies of about 0.5 eV and higher, and the second component is a noble gas having a very small cross section at and below about 1.0 eV, whereby fast electrons in the gaseous mixture are slowed into the energy range of about 0.5 eV where the cross section for the mixture is small and hence the electron mean free path is large. The reduction in both the cross section and the electron energy results in an increase in the drift velocity of the electrons in the gas mixtures over that for the separate components for a range of E/P (pressure-reduced electric field) values. Several gas mixtures are provided that provide faster response in gas-filled detectors for convenient E/P ranges as compared with conventional gas mixtures.

  7. Process for the separation of components from gas mixtures

    DOE Patents [OSTI]

    Merriman, J.R.; Pashley, J.H.; Stephenson, M.J.; Dunthorn, D.I.

    1973-10-01

    A process for the removal, from gaseous mixtures of a desired component selected from oxygen, iodine, methyl iodide, and lower oxides of carbon, nitrogen, and sulfur is described. The gaseous mixture is contacted with a liquid fluorocarbon in an absorption zone maintained at superatmospheric pressure to preferentially absorb the desired component in the fluorocarbon. Unabsorbed constituents of the gaseous mixture are withdrawn from the absorption zone. Liquid fluorocarbon enriched in the desired component is withdrawn separately from the zone, following which the desired component is recovered from the fluorocarbon absorbent. (Official Gazette)

  8. Method for producing hydrocarbon and alcohol mixtures. [Patent application

    DOE Patents [OSTI]

    Compere, A.L.; Googin, J.M.; Griffith, W.L.

    1980-12-01

    It is an object of this invention to provide an efficient process for extracting alcohols and ketones from an aqueous solution containing the same into hydrocarbon fuel mixtures, such as gasoline, diesel fuel and fuel oil. Another object of the invention is to provide a mixture consisting of hydrocarbon, alcohols or ketones, polyoxyalkylene polymer and water which can be directly added to fuels or further purified. The above stated objects are achieved in accordance with a preferred embodiment of the invention by contacting an aqueous fermentation liquor with a hydrocarbon or hydrocarbon mixture containing carbon compounds having 5 to 18 carbon atoms, which may include gasoline, diesel fuel or fuel oil. The hydrocarbon-aqueous alcohol solution is mixed in the presence or one or more of a group of polyoxyalkylene polymers described in detail hereinafter; the fermentation alcohol being extracted into the hydrocarbon fuel-polyoxyalkylene polymer mixture.

  9. Second-order model selection in mixture experiments

    SciTech Connect (OSTI)

    Redgate, P.E.; Piepel, G.F.; Hrma, P.R.

    1992-07-01

    Full second-order models for q-component mixture experiments contain q(q+l)/2 terms, which increases rapidly as q increases. Fitting full second-order models for larger q may involve problems with ill-conditioning and overfitting. These problems can be remedied by transforming the mixture components and/or fitting reduced forms of the full second-order mixture model. Various component transformation and model reduction approaches are discussed. Data from a 10-component nuclear waste glass study are used to illustrate ill-conditioning and overfitting problems that can be encountered when fitting a full second-order mixture model. Component transformation, model term selection, and model evaluation/validation techniques are discussed and illustrated for the waste glass example.

  10. Detection And Discrimination Of Pure Gases And Binary Mixtures...

    Office of Scientific and Technical Information (OSTI)

    A theoretical data set of resonant damping was generated corresponding to the gas mixtures ... Report Number(s): LLNL-JRNL-415479 TRN: US201013%%438 DOE Contract Number: W-7405-ENG-48 ...

  11. Cubic Phases in Phosphatidylcholine-Cholesterol Mixtures: Cholesterol...

    Office of Scientific and Technical Information (OSTI)

    A saturated, branched-chain PC, diphytanoyl PC, also displayed a cubic phase in mixture with Chol. Unlike the PEs, the membrane PCs are intrinsically nonfusogenic lipids: in excess ...

  12. Calculate Gas Phase Transport Properties of Pure Species and Mixtures

    Energy Science and Technology Software Center (OSTI)

    1997-10-20

    DRFM is a set of routines and data bases used to calculate gas phase transport properties of pure species and mixtures. The program(s) may stand alone or may be used as part of a larger simulation.

  13. Vibrational spectroscopy of liquid mixtures and solid/liquid | Argonne

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

    Leadership Computing Facility spectroscopy of liquid mixtures and solid/liquid PI Name: Giulia Galli PI Email: gagalli@ucdavis.edu Institution: University of California, Davis Allocation Program: INCITE Allocation Hours at ALCF: 15,000,000 Year: 2011 Research Domain: Materials Science We propose to use first principle molecular dynamics (MD) simulations using semi-local and hybrid functionals to compute vibrational properties of liquid mixtures and liquid/solid interfaces, with the goal of

  14. Recovery of purified helium or hydrogen from gas mixtures

    DOE Patents [OSTI]

    Merriman, J.R.; Pashley, J.H.; Stephenson, M.J.; Dunthorn, D.I.

    1974-01-15

    A process is described for the removal of helium or hydrogen from gaseous mixtures also containing contaminants. The gaseous mixture is contacted with a liquid fluorocarbon in an absorption zone maintained at superatomspheric pressure to preferentially absorb the contaminants in the fluorocarbon. Unabsorbed gas enriched in hydrogen or helium is withdrawn from the absorption zone as product. Liquid fluorocarbon enriched in contaminants is withdrawn separately from the absorption zone. (10 claims)

  15. Study of lay people's perceptions of appropriate management of gasoline/soil mixtures, hazardous waste mixtures, and trash/garbage mixtures

    SciTech Connect (OSTI)

    Simon, L.E.

    1988-01-01

    The method used was a researcher-developed questionnaire that was given to San Diego residents who were either Naval Reservists or worked at the corporate headquarters of a fast food chain. The respondents were chosen to yield a cross section of lay people. The forced-choice questionnaire asked identical questions about each of the wastes. The sequence in which each waste appeared was varied in order not to imply a ranking. One-way ANOVA and Bonferroni's Method was used to identify any significant differences. On all eight elements, there was a significant difference between each of the wastes at the p < .05 level. Lay people perceive a significant difference in what constitutes appropriate management of the three waste mixtures. Lay people who participated in the study saw Gasoline/Soil Mixtures as requiring management that was significantly more lenient that what they saw as needed for Hazardous Waste Mixtures and significantly more strict than what they saw as needed for Trash/Garbage Mixtures. The establishment of an intermediate category of solid waste between the existing categories of Hazardous Waste and Non-Hazardous Waste was clearly identified as a possibility by the respondents. If such a category were established it would: (1) clarify and resolve existing contradictions between various regulations; (2) reduce unnecessary filling of scarce hazardous waste disposal capacity; (3) reduce uncertainty, delay and expense to businesses trying to comply with the regulations.

  16. Binary and ternary gas mixtures for use in glow discharge closing...

    Office of Scientific and Technical Information (OSTI)

    Highly efficient binary and ternary gas mixtures for use in diffuse glow discharge closing ... discharge; closing; switches; highly; efficient; binary; ternary; gas; mixtures; ...

  17. Thermodynamic properties of model CdTe/CdSe mixtures

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

    van Swol, Frank; Zhou, Xiaowang W.; Challa, Sivakumar R.; Martin, James E.

    2015-02-20

    We report on the thermodynamic properties of binary compound mixtures of model groups II–VI semiconductors. We use the recently introduced Stillinger–Weber Hamiltonian to model binary mixtures of CdTe and CdSe. We use molecular dynamics simulations to calculate the volume and enthalpy of mixing as a function of mole fraction. The lattice parameter of the mixture closely follows Vegard's law: a linear relation. This implies that the excess volume is a cubic function of mole fraction. A connection is made with hard sphere models of mixed fcc and zincblende structures. We found that the potential energy exhibits a positive deviation frommore » ideal soluton behaviour; the excess enthalpy is nearly independent of temperatures studied (300 and 533 K) and is well described by a simple cubic function of the mole fraction. Using a regular solution approach (combining non-ideal behaviour for the enthalpy with ideal solution behaviour for the entropy of mixing), we arrive at the Gibbs free energy of the mixture. The Gibbs free energy results indicate that the CdTe and CdSe mixtures exhibit phase separation. The upper consolute temperature is found to be 335 K. Finally, we provide the surface energy as a function of composition. Moreover, it roughly follows ideal solution theory, but with a negative deviation (negative excess surface energy). This indicates that alloying increases the stability, even for nano-particles.« less

  18. Chemical kinetic modeling of component mixtures relevant to gasoline

    SciTech Connect (OSTI)

    Mehl, M; Curran, H J; Pitz, W J; Westbrook, C K

    2009-02-13

    Real fuels are complex mixtures of thousands of hydrocarbon compounds including linear and branched paraffins, naphthenes, olefins and aromatics. It is generally agreed that their behavior can be effectively reproduced by simpler fuel surrogates containing a limited number of components. In this work, a recently revised version of the kinetic model by the authors is used to analyze the combustion behavior of several components relevant to gasoline surrogate formulation. Particular attention is devoted to linear and branched saturated hydrocarbons (PRF mixtures), olefins (1-hexene) and aromatics (toluene). Model predictions for pure components, binary mixtures and multi-component gasoline surrogates are compared with recent experimental information collected in rapid compression machine, shock tube and jet stirred reactors covering a wide range of conditions pertinent to internal combustion engines. Simulation results are discussed focusing attention on the mixing effects of the fuel components.

  19. Thermodynamic properties and diffusion of water + methane binary mixtures

    SciTech Connect (OSTI)

    Shvab, I.; Sadus, Richard J.

    2014-03-14

    Thermodynamic and diffusion properties of water + methane mixtures in a single liquid phase are studied using NVT molecular dynamics. An extensive comparison is reported for the thermal pressure coefficient, compressibilities, expansion coefficients, heat capacities, Joule-Thomson coefficient, zero frequency speed of sound, and diffusion coefficient at methane concentrations up to 15% in the temperature range of 298650 K. The simulations reveal a complex concentration dependence of the thermodynamic properties of water + methane mixtures. The compressibilities, heat capacities, and diffusion coefficients decrease with increasing methane concentration, whereas values of the thermal expansion coefficients and speed of sound increase. Increasing methane concentration considerably retards the self-diffusion of both water and methane in the mixture. These effects are caused by changes in hydrogen bond network, solvation shell structure, and dynamics of water molecules induced by the solvation of methane at constant volume conditions.

  20. Inferential determination of various properties of a gas mixture

    DOE Patents [OSTI]

    Morrow, Thomas B.; Behring, II, Kendricks A.

    2007-03-27

    Methods for inferentially determining various properties of a gas mixture, when the speed of sound in the gas is known at an arbitrary temperature and pressure. The method can be applied to natural gas mixtures, where the known parameters are the sound speed, temperature, pressure, and concentrations of any dilute components of the gas. The method uses a set of reference gases and their calculated density and speed of sound values to estimate the density of the subject gas. Additional calculations can be made to estimate the molecular weight of the subject gas, which can then be used as the basis for heating value calculations. The method may also be applied to inferentially determine density and molecular weight for gas mixtures other than natural gases.

  1. Sterilization of fermentation vessels by ethanol/water mixtures

    DOE Patents [OSTI]

    Wyman, C.E.

    1999-02-09

    A method is described for sterilizing process fermentation vessels with a concentrated alcohol and water mixture integrated in a fuel alcohol or other alcohol production facility. Hot, concentrated alcohol is drawn from a distillation or other purification stage and sprayed into the empty fermentation vessels. This sterilizing alcohol/water mixture should be of a sufficient concentration, preferably higher than 12% alcohol by volume, to be toxic to undesirable microorganisms. Following sterilization, this sterilizing alcohol/water mixture can be recovered back into the same distillation or other purification stage from which it was withdrawn. The process of this invention has its best application in, but is not limited to, batch fermentation processes, wherein the fermentation vessels must be emptied, cleaned, and sterilized following completion of each batch fermentation process. 2 figs.

  2. Sterilization of fermentation vessels by ethanol/water mixtures

    DOE Patents [OSTI]

    Wyman, Charles E.

    1999-02-09

    A method for sterilizing process fermentation vessels with a concentrated alcohol and water mixture integrated in a fuel alcohol or other alcohol production facility. Hot, concentrated alcohol is drawn from a distillation or other purification stage and sprayed into the empty fermentation vessels. This sterilizing alcohol/water mixture should be of a sufficient concentration, preferably higher than 12% alcohol by volume, to be toxic to undesirable microorganisms. Following sterilization, this sterilizing alcohol/water mixture can be recovered back into the same distillation or other purification stage from which it was withdrawn. The process of this invention has its best application in, but is not limited to, batch fermentation processes, wherein the fermentation vessels must be emptied, cleaned, and sterilized following completion of each batch fermentation process.

  3. Determining the Porosity and Saturated Hydraulic Conductivity of Binary Mixtures

    SciTech Connect (OSTI)

    Zhang, Z. F.; Ward, Anderson L.; Keller, Jason M.

    2009-09-27

    Gravels and coarse sands make up significant portions of some environmentally important sediments, while the hydraulic properties of the sediments are typically obtained in the laboratory using only the fine fraction (e.g., <2 mm or 4.75 mm). Researchers have found that the content of gravel has significant impacts on the hydraulic properties of the bulk soils. Laboratory experiments were conducted to measure the porosity and the saturated hydraulic conductivity of binary mixtures with different fractions of coarse and fine components. We proposed a mixing-coefficient model to estimate the porosity and a power-averaging method to determine the effective particle diameter and further to predict the saturated hydraulic conductivity of binary mixtures. The proposed methods could well estimate the porosity and saturated hydraulic conductivity of the binary mixtures for the full range of gravel contents and was successfully applied to two data sets in the literature.

  4. Chemical kinetic modeling of component mixtures relevant to gasoline

    SciTech Connect (OSTI)

    Mehl, M; Curran, H J; Pitz, W J; Dooley, S; Westbrook, C K

    2008-05-29

    Detailed kinetic models of pyrolysis and combustion of hydrocarbon fuels are nowadays widely used in the design of internal combustion engines and these models are effectively applied to help meet the increasingly stringent environmental and energetic standards. In previous studies by the combustion community, such models not only contributed to the understanding of pure component combustion, but also provided a deeper insight into the combustion behavior of complex mixtures. One of the major challenges in this field is now the definition and the development of appropriate surrogate models able to mimic the actual features of real fuels. Real fuels are complex mixtures of thousands of hydrocarbon compounds including linear and branched paraffins, naphthenes, olefins and aromatics. Their behavior can be effectively reproduced by simpler fuel surrogates containing a limited number of components. Aside the most commonly used surrogates containing iso-octane and n-heptane only, the so called Primary Reference Fuels (PRF), new mixtures have recently been suggested to extend the reference components in surrogate mixtures to also include alkenes and aromatics. It is generally agreed that, including representative species for all the main classes of hydrocarbons which can be found in real fuels, it is possible to reproduce very effectively in a wide range of operating conditions not just the auto-ignition propensity of gasoline or Diesel fuels, but also their physical properties and their combustion residuals [1]. In this work, the combustion behavior of several components relevant to gasoline surrogate formulation is computationally examined. The attention is focused on the autoignition of iso-octane, hexene and their mixtures. Some important issues relevant to the experimental and modeling investigation of such fuels are discussed with the help of rapid compression machine data and calculations. Following the model validation, the behavior of mixtures is discussed on the

  5. 'Erratic' Lasers Pave Way for Tabletop Accelerators

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

    Their work was supported by supercomputing resources at the National Energy Research Scientific Computing Center (NERSC). Traditional accelerators, like the Large Hadron Collider ...

  6. Calculated critical parameters for uranium-beryllium-water mixtures

    SciTech Connect (OSTI)

    Wetzel, L.L.

    1996-12-31

    Babcock & Wilcox recovers uranium from Sapphire material through chemical processing. Sapphire material consists of highly enriched uranium that contains various amounts of beryllium. Prior to the processing of Sapphire material, criticality safety analyses conservatively used uranium and water mixtures to model the solutions in the chemical processing operations. In the processing of Sapphire material, the presence of beryllium could change the safety limits. To determine the impact of the beryllium in the solution, critical parameters (mass or radius) for mixtures of uranium, beryllium, and water were calculated.

  7. Mixtures of Strongly Interacting Bosons in Optical Lattices

    SciTech Connect (OSTI)

    Buonsante, P.; Penna, V.; Giampaolo, S. M.; Illuminati, F.; Vezzani, A.

    2008-06-20

    We investigate the properties of strongly interacting heteronuclear boson-boson mixtures loaded in realistic optical lattices, with particular emphasis on the physics of interfaces. In particular, we numerically reproduce the recent experimental observation that the addition of a small fraction of {sup 41}K induces a significant loss of coherence in {sup 87}Rb, providing a simple explanation. We then investigate the robustness against the inhomogeneity typical of realistic experimental realizations of the glassy quantum emulsions recently predicted to occur in strongly interacting boson-boson mixtures on ideal homogeneous lattices.

  8. Binary and ternary gas mixtures for use in glow discharge closing switches

    DOE Patents [OSTI]

    Hunter, Scott R.; Christophorou, Loucas G.

    1990-01-01

    Highly efficient binary and ternary gas mixtures for use in diffuse glow discharge closing switches are disclosed. The binary mixtures are combinations of helium or neon and selected perfluorides. The ternary mixtures are combinations of helium, neon, or argon, a selected perfluoride, and a small amount of gas that exhibits enhanced ionization characteristics. These mixtures are shown to be the optimum choices for use in diffuse glow discharge closing switches by virtue of the combined physio-electric properties of the mixture components.

  9. Methods for deacidizing gaseous mixtures by phase enhanced absorption

    DOE Patents [OSTI]

    Hu, Liang

    2012-11-27

    An improved process for deacidizing a gaseous mixture using phase enhanced gas-liquid absorption is described. The process utilizes a multiphasic absorbent that absorbs an acid gas at increased rate and leads to reduced overall energy costs for the deacidizing operation.

  10. Gettering of Hydrogen and Methane from a Helium Gas Mixture

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

    Cardenas, Rosa E.; Stewart, Kenneth D.; Cowgill, Donald F.

    2014-10-21

    In our study, the authors developed an approach for accurately quantifying the helium content in a gas mixture also containing hydrogen and methane using commercially available getters. The authors performed a systematic study to examine how both H2 and CH4 can be removed simultaneously from the mixture using two SAES St 172® getters operating at different temperatures. The remaining He within the gas mixture can then be measured directly using a capacitance manometer. Moreover, the optimum combination involved operating one getter at 650°C to decompose the methane, and the second at 110°C to remove the hydrogen. Finally, this approach eliminatedmore » the need to reactivate the getters between measurements, thereby enabling multiple measurements to be made within a short time interval, with accuracy better than 1%. The authors anticipate that such an approach will be particularly useful for quantifying the He-3 in mixtures that include tritium, tritiated methane, and helium-3. The presence of tritiated methane, generated by tritium activity, often complicates such measurements.« less

  11. Gettering of Hydrogen and Methane from a Helium Gas Mixture

    SciTech Connect (OSTI)

    Cardenas, Rosa E.; Stewart, Kenneth D.; Cowgill, Donald F.

    2014-10-21

    In our study, the authors developed an approach for accurately quantifying the helium content in a gas mixture also containing hydrogen and methane using commercially available getters. The authors performed a systematic study to examine how both H2 and CH4 can be removed simultaneously from the mixture using two SAES St 172® getters operating at different temperatures. The remaining He within the gas mixture can then be measured directly using a capacitance manometer. Moreover, the optimum combination involved operating one getter at 650°C to decompose the methane, and the second at 110°C to remove the hydrogen. Finally, this approach eliminated the need to reactivate the getters between measurements, thereby enabling multiple measurements to be made within a short time interval, with accuracy better than 1%. The authors anticipate that such an approach will be particularly useful for quantifying the He-3 in mixtures that include tritium, tritiated methane, and helium-3. The presence of tritiated methane, generated by tritium activity, often complicates such measurements.

  12. Gettering of hydrogen and methane from a helium gas mixture

    SciTech Connect (OSTI)

    Crdenas, Rosa Elia; Stewart, Kenneth D.; Cowgill, Donald F.

    2014-11-01

    In this study, the authors developed an approach for accurately quantifying the helium content in a gas mixture also containing hydrogen and methane using commercially available getters. The authors performed a systematic study to examine how both H{sub 2} and CH{sub 4} can be removed simultaneously from the mixture using two SAES St 172{sup } getters operating at different temperatures. The remaining He within the gas mixture can then be measured directly using a capacitance manometer. The optimum combination involved operating one getter at 650?C to decompose the methane, and the second at 110?C to remove the hydrogen. This approach eliminated the need to reactivate the getters between measurements, thereby enabling multiple measurements to be made within a short time interval, with accuracy better than 1%. The authors anticipate that such an approach will be particularly useful for quantifying the He-3 in mixtures that include tritium, tritiated methane, and helium-3. The presence of tritiated methane, generated by tritium activity, often complicates such measurements.

  13. CO2-based mixtures as working fluids for geothermal turbines.

    SciTech Connect (OSTI)

    Wright, Steven Alan; Conboy, Thomas M.; Ames, David E.

    2012-01-01

    Sandia National Laboratories is investigating advanced Brayton cycles using supercritical working fluids for application to a variety of heat sources, including geothermal, solar, fossil, and nuclear power. This work is centered on the supercritical CO{sub 2} (S-CO{sub 2}) power conversion cycle, which has the potential for high efficiency in the temperature range of interest for these heat sources and is very compact-a feature likely to reduce capital costs. One promising approach is the use of CO{sub 2}-based supercritical fluid mixtures. The introduction of additives to CO{sub 2} alters the equation of state and the critical point of the resultant mixture. A series of tests was carried out using Sandia's supercritical fluid compression loop that confirmed the ability of different additives to increase or lower the critical point of CO{sub 2}. Testing also demonstrated that, above the modified critical point, these mixtures can be compressed in a turbocompressor as a single-phase homogenous mixture. Comparisons of experimental data to the National Institute of Standards and Technology (NIST) Reference Fluid Thermodynamic and Transport Properties (REFPROP) Standard Reference Database predictions varied depending on the fluid. Although the pressure, density, and temperature (p, {rho}, T) data for all tested fluids matched fairly well to REFPROP in most regions, the critical temperature was often inaccurate. In these cases, outside literature was found to provide further insight and to qualitatively confirm the validity of experimental findings for the present investigation.

  14. Proteomics based compositional analysis of complex cellulase-hemicellulase mixtures

    SciTech Connect (OSTI)

    Chundawat, Shishir P.; Lipton, Mary S.; Purvine, Samuel O.; Uppugundla, Nirmal; Gao, Dahai; Balan, Venkatesh; Dale, Bruce E.

    2011-10-07

    Efficient deconstruction of cellulosic biomass to fermentable sugars for fuel and chemical production is accomplished by a complex mixture of cellulases, hemicellulases and accessory enzymes (e.g., >50 extracellular proteins). Cellulolytic enzyme mixtures, produced industrially mostly using fungi like Trichoderma reesei, are poorly characterized in terms of their protein composition and its correlation to hydrolytic activity on cellulosic biomass. The secretomes of commercial glycosyl hydrolase producing microbes was explored using a proteomics approach with high-throughput quantification using liquid chromatography-tandem mass spectrometry (LC-MS/MS). Here, we show that proteomics based spectral counting approach is a reasonably accurate and rapid analytical technique that can be used to determine protein composition of complex glycosyl hydrolase mixtures that also correlates with the specific activity of individual enzymes present within the mixture. For example, a strong linear correlation was seen between Avicelase activity and total cellobiohydrolase content. Reliable, quantitative and cheaper analytical methods that provide insight into the cellulosic biomass degrading fungal and bacterial secretomes would lead to further improvements towards commercialization of plant biomass derived fuels and chemicals.

  15. Method of treating alkali metal sulfide and carbonate mixtures

    DOE Patents [OSTI]

    Kohl, Arthur L.; Rennick, Robert D.; Savinsky, Martin W.

    1978-01-01

    A method of removing and preferably recovering sulfur values from an alkali metal sulfide and carbonate mixture comprising the steps of (1) introducing the mixture in an aqueous medium into a first carbonation zone and reacting the mixture with a gas containing a major amount of CO.sub.2 and a minor amount of H.sub.2 S; (2) introducing the resultant product from step 1 into a stripping zone maintained at subatmospheric pressure, and contacting this product with steam to produce a gaseous mixture, comprising H.sub.2 S and water vapor, and a liquor of reduced sulfide content; (3) introducing the liquor of reduced sulfide content into a second carbonation zone, and reacting the liquor with substantially pure gaseous CO.sub.2 in an amount sufficient to precipitate bicarbonate crystals and produce an offgas containing CO.sub.2 and H.sub.2 S for use in step 1; (4) recovering the bicarbonate crystals from step 3, and thermally decomposing the crystals to produce an alkaline metal carbonate product and a substantially pure CO.sub.2 offgas for use in step 3.

  16. Coal liquefaction process using pretreatment with a binary solvent mixture

    DOE Patents [OSTI]

    Miller, Robert N.

    1986-01-01

    An improved process for thermal solvent refining or hydroliquefaction of non-anthracitic coal at elevated temperatures under hydrogen pressure in a hydrogen donor solvent comprises pretreating the coal with a binary mixture of an aromatic hydrocarbon and an aliphatic alcohol at a temperature below 300.degree. C. before the hydroliquefaction step. This treatment generally increases both conversion of coal and yields of oil.

  17. Ionic liquids for separation of olefin-paraffin mixtures

    DOE Patents [OSTI]

    Dai, Sheng; Luo, Huimin; Huang, Jing-Fang

    2014-07-15

    The invention is directed to an ionic liquid comprising (i) a cationic portion containing a complex of a silver (I) ion and one or more neutral ligands selected from organoamides, organoamines, olefins, and organonitriles, and (ii) an anionic portion having the chemical formula ##STR00001## wherein m and n are independently 0 or an integer of 1 or above, and p is 0 or 1, provided that when p is 0, the group --N--SO.sub.2--(CF.sub.2).sub.nCF.sub.3 subtended by p is replaced with an oxide atom connected to the shown sulfur atom. The invention is also directed to a method for separating an olefin from an olefin-paraffin mixture by passing the mixture through a layer of the ionic liquid described above.

  18. Ionic liquids for separation of olefin-paraffin mixtures

    DOE Patents [OSTI]

    Dai, Sheng; Luo, Huimin; Huang, Jing-Fang

    2013-09-17

    The invention is directed to an ionic liquid comprising (i) a cationic portion containing a complex of a silver (I) ion and one or more neutral ligands selected from organoamides, organoamines, olefins, and organonitriles, and (ii) an anionic portion having the chemical formula ##STR00001## wherein m and n are independently 0 or an integer of 1 or above, and p is 0 or 1, provided that when p is 0, the group --N--SO.sub.2--(CF.sub.2).sub.nCF.sub.3 subtended by p is replaced with an oxide atom connected to the shown sulfur atom. The invention is also directed to a method for separating an olefin from an olefin-paraffin mixture by passing the mixture through a layer of the ionic liquid described above.

  19. Low velocity ion stopping in binary ionic mixtures

    SciTech Connect (OSTI)

    Tashev, Bekbolat; Baimbetov, Fazylkhan; Deutsch, Claude; Fromy, Patrice

    2008-10-15

    Attention is focused on the low ion velocity stopping mechanisms in multicomponent and dense target plasmas built of quasiclassical electron fluids neutralizing binary ionic mixtures, such as, deuterium-tritium of current fusion interest, proton-heliumlike iron in the solar interior or proton-helium ions considered in planetology, as well as other mixtures of fiducial concern in the heavy ion beam production of warm dense matter at Bragg peak conditions. The target plasma is taken in a multicomponent dielectric formulation a la Fried-Conte. The occurrence of projectile ion velocities (so-called critical) for which target electron slowing down equals that of given target ion components is also considered. The corresponding multiquadrature computations, albeit rather heavy, can be monitored analytical through a very compact code operating a PC cluster. Slowing down results are systematically scanned with respect to target temperature and electron density, as well as ion composition.

  20. ELECTROCHEMICAL SEPARATION AND CONCENTRATION OF HYDROGEN SULFIDE FROM GAS MIXTURES

    DOE Patents [OSTI]

    Winnick, Jack; Sather, Norman F.; Huang, Hann S.

    1984-10-30

    A method of removing sulfur oxides of H.sub.2 S from high temperature gas mixtures (150.degree.-1000.degree. C.) is the subject of the present invention. An electrochemical cell is employed. The cell is provided with inert electrodes and an electrolyte which will provide anions compatible with the sulfur containing anions formed at the anode. The electrolyte is also selected to provide inert stable cations at the temperatures encountered. The gas mixture is passed by the cathode where the sulfur gases are converted to SO.sub.4 -- or, in the case of H.sub.2 S, to S--. The anions migrate to the anode where they are converted to a stable gaseous form at much greater concentration levels (>10X). Current flow may be effected by utilizing an external source of electrical energy or by passing a reducing gas such as hydrogen past the anode.

  1. Electrochemical separation and concentration of hydrogen sulfide from gas mixtures

    DOE Patents [OSTI]

    Winnick, Jack; Sather, Norman F.; Huang, Hann S.

    1984-10-30

    A method of removing sulfur oxides of H.sub.2 S from high temperature gas mixtures (150.degree.-1000.degree. C.) is the subject of the present invention. An electrochemical cell is employed. The cell is provided with inert electrodes and an electrolyte which will provide anions compatible with the sulfur containing anions formed at the anode. The electrolyte is also selected to provide inert stable cations at the temperatures encountered. The gas mixture is passed by the cathode where the sulfur gases are converted to SO.sub.4 -- or, in the case of H.sub.2 S, to S--. The anions migrate to the anode where they are converted to a stable gaseous form at much greater concentration levels (>10X). Current flow may be effected by utilizing an external source of electrical energy or by passing a reducing gas such as hydrogen past the anode.

  2. Perfluoroolefin and perfluoroparaffin mixture and process for making same

    SciTech Connect (OSTI)

    Dietrich, P.; Engler, G.; Ferse, A.; Grimm, H.; Gross, U.; Handte, D.; Lunkwitz, K.; Muller, U.; Prescher, D.; Schulze, J.

    1980-09-30

    Straight chain perfluoroolefins compounds of medium length with terminal or double bonds and a minor proportion of trifluoromethyl side chains or mixtures of such perfluoroolefins with perfluoro paraffins of equal chain length and corresponding structure, the perfluoroolefins being present in the mixture in an amount of 40 to 70% are prepared. The compounds are valuable as highly reactive intermediate products in the production of surface active agents. The compounds are made by subjecting a highly fluorinated organic compound to degradation by means of a high energy radiation of a density of 0.3 to 3.0 w/cm2 effected in a radiation chamber which has been subjected to a preceding rinsing with an inert gas or with a monomeric highly fluorinated organic compound.

  3. Thermoacoustic mixture separation with an axial temperature gradient

    SciTech Connect (OSTI)

    Geller, Drew W; Swift, Gregory A

    2008-01-01

    The theory of thermoacoustic mixture separation is extended to include the effect of a nonzero axial temperature gradient. The analysis yields a new term in the second-order mole flux that is proportional to the temperature gradient and to the square of the volumetric velocity and is independent of the phasing of the wave. Because of this new term, thermoacoustic separation stops at a critical temperature gradient and changes direction above that gradient. For a traveling wave, this gradient is somewhat higher than that predicted by a simple four-step model. An experiment tests the theory for temperature gradients from 0 to 416 K/m in 50-50 He-Ar mixtures.

  4. Vibrational spectroscopy of liquid mixtures and solid/liquid interfaces |

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

    Argonne Leadership Computing Facility Molecular orbital representation of the electronic states in the first solvation shell in water. The inset shows different contributions (total, inter- and intra-molecular) to the IR stretching band of liquid water. Vibrational spectroscopy of liquid mixtures and solid/liquid interfaces PI Name: Giulia Galli PI Email: gagalli@ucdavis.edu Institution: University of California, Davis Allocation Program: INCITE Allocation Hours at ALCF: 1 Million Year: 2010

  5. Coal liquefaction process using pretreatment with a binary solvent mixture

    DOE Patents [OSTI]

    Miller, R.N.

    1986-10-14

    An improved process for thermal solvent refining or hydroliquefaction of non-anthracitic coal at elevated temperatures under hydrogen pressure in a hydrogen donor solvent comprises pretreating the coal with a binary mixture of an aromatic hydrocarbon and an aliphatic alcohol at a temperature below 300 C before the hydroliquefaction step. This treatment generally increases both conversion of coal and yields of oil. 1 fig.

  6. Engineered clay-shredded tyre mixtures as barrier materials

    SciTech Connect (OSTI)

    Al-Tabbaa, A.; Aravinthan, T.

    1997-12-31

    An engineered clay consisting of kaolin and bentonite was mixed with shredded tyre in various weight percentages and examined for use as a constituent in a landfill liner. The clay-tyre mixtures properties in terms of compaction, unconfined compressive strength, permeability to water and paraffin, leachability, stress-strain behaviour, free swell behaviour and swelling pressure were investigated. The results show that the dry density and strength reduced with the addition of tyre and also with increased tyre content but that good interaction was developed between the clay and tyre. The strain at failure increased showing reinforcing effect of the tyre. The permeability to paraffin was considerably reduced compared to that to water due to the presence of the tyre which caused high swelling pressures to develop. The leachability results indicate initial high concentrations leaching out of the soil-tyre mixtures which will be subjected to dilution in the environment. This work adds evidence to the potential advantages of using soil-tyre mixtures as a landfill liner material.

  7. Investigation of plasma-dust structures in He-Ar gas mixture

    SciTech Connect (OSTI)

    Maiorov, S. A.; Ramazanov, T. S.; Dzhumagulova, K. N.; Jumabekov, A. N.; Dosbolayev, M. K.

    2008-09-15

    The paper reports on the first experiments with plasma-dust formations in dc gas discharge plasma for a He-Ar mixture. It is shown that the choice of light and heavy gases for the mixture suppresses ion heating in electric field under the conventional conditions of experiments and results in a supersonic jet with high Mach numbers. Distribution functions for drifting ions in the gas mixture are calculated for various mixture concentrations, electric field strengths, and gas pressures.

  8. Sodium nitrate containing mixture for producing ceramic-glass-ceramic seal by microwave heating

    DOE Patents [OSTI]

    Blake, R.D.; Meek, T.T.

    1984-10-10

    A mixture for, and method of using such a mixture, for producing a ceramic-glass-ceramic seal by the use of microwave energy are disclosed, wherein the mixture comprises a glass sealing material, a coupling agent, and an oxidizer. The seal produced exhibits greater strength due to its different microstructure. Sodium nitrate is the most preferred oxidizer.

  9. Fluidizing a mixture of particulate coal and char

    DOE Patents [OSTI]

    Green, Norman W.

    1979-08-07

    Method of mixing particulate materials comprising contacting a primary source and a secondary source thereof whereby resulting mixture ensues; preferably at least one of the two sources has enough motion to insure good mixing and the particulate materials may be heat treated if desired. Apparatus for such mixing comprising an inlet for a primary source, a reactor communicating therewith, a feeding means for supplying a secondary source to the reactor, and an inlet for the secondary source. Feeding means is preferably adapted to supply fluidized materials.

  10. Prediction of New Hydrogen Storage Compounds and Mixtures

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

    8, 2006 DOE Theory Focus Session on Hydrogen Storage Materials Prediction of New Hydrogen Storage Compounds and Mixtures Vidvuds Ozoliņš UCLA Research supported by DOE grants No. DE-FG02-05ER46253 and DE-FC36-04GO14013 May 18, 2006 DOE Theory Focus Session on Hydrogen Storage Materials DOE BES: Theory and Modeling of Materials for Hydrogen Storage PIs: Gerbrand Ceder (MIT), Nicola Marzari (MIT), Vidvuds Ozoliņš (UCLA) Discovery of Novel Complex Metal Hydrides for Hydrogen Storage Through

  11. Method for removing organic liquids from aqueous solutions and mixtures

    DOE Patents [OSTI]

    Hrubesh, Lawrence W.; Coronado, Paul R.; Dow, Jerome P.

    2004-03-23

    A method for removing organic liquids from aqueous solutions and mixtures. The method employs any porous material preferably in granular form and having small pores and a large specific surface area, that is hydrophobic so that liquid water does not readily wet its surface. In this method, organics, especially organic solvents that mix with and are more volatile than water, are separated from aqueous solution by preferentially evaporating across the liquid/solid boundary formed at the surfaces of the hydrophobic porous materials. Also, organic solvents that are immiscible with water, preferentially wet the surfaces of the hydrophobic material and are drawn within the porous materials by capillary action.

  12. Binary and ternary gas mixtures for use in glow discharge closing switches

    DOE Patents [OSTI]

    Hunter, S.R.; Christophorou, L.G.

    1988-04-27

    Highly efficient binary and ternary gas mixtures for use in diffuse glow discharge closing switches are disclosed. The binary mixtures are combinations of helium or neon and selected perfluorides. The ternary mixtures are combinations of helium, neon, or argon, a selected perfluoride, and a small amount of gas that exhibits enhanced ionization characteristics. These mixtures are shown to be the optimum choices for use in diffuse glow discharge closing switches by virtue if the combines physio-electric properties of the mixture components. 9 figs.

  13. Heterojunctions of model CdTe/CdSe mixtures

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

    van Swol, Frank; Zhou, Xiaowang W.; Challa, Sivakumar R.; Martin, James E.

    2015-03-18

    We report on the strain behavior of compound mixtures of model group II-VI semiconductors. We use the Stillinger-Weber Hamiltonian that we recently introduced, specifically developed to model binary mixtures of group II-VI compounds such as CdTe and CdSe. We also employ molecular dynamics simulations to examine the behavior of thin sheets of material, bilayers of CdTe and CdSe. The lattice mismatch between the two compounds leads to a strong bending of the entire sheet, with about a 0.5 to 1° deflection between neighboring planes. To further analyze bilayer bending, we introduce a simple one-dimensional model and use energy minimization tomore » find the angle of deflection. The analysis is equivalent to a least-squares straight line fit. We consider the effects of bilayers which are asymmetric with respect to the thickness of the CdTe and CdSe parts. We thus learn that the bending can be subdivided into four kinds depending on the compressive/tensile nature of each outer plane of the sheet. We use this approach to directly compare our findings with experimental results on the bending of CdTe/CdSe rods. To reduce the effects of the lattice mismatch we explore diffuse interfaces, where we mix (i.e. alloy) Te and Se, and estimate the strain response.« less

  14. Heterojunctions of model CdTe/CdSe mixtures

    SciTech Connect (OSTI)

    van Swol, Frank; Zhou, Xiaowang W.; Challa, Sivakumar R.; Martin, James E.

    2015-03-18

    We report on the strain behavior of compound mixtures of model group II-VI semiconductors. We use the Stillinger-Weber Hamiltonian that we recently introduced, specifically developed to model binary mixtures of group II-VI compounds such as CdTe and CdSe. We also employ molecular dynamics simulations to examine the behavior of thin sheets of material, bilayers of CdTe and CdSe. The lattice mismatch between the two compounds leads to a strong bending of the entire sheet, with about a 0.5 to 1° deflection between neighboring planes. To further analyze bilayer bending, we introduce a simple one-dimensional model and use energy minimization to find the angle of deflection. The analysis is equivalent to a least-squares straight line fit. We consider the effects of bilayers which are asymmetric with respect to the thickness of the CdTe and CdSe parts. We thus learn that the bending can be subdivided into four kinds depending on the compressive/tensile nature of each outer plane of the sheet. We use this approach to directly compare our findings with experimental results on the bending of CdTe/CdSe rods. To reduce the effects of the lattice mismatch we explore diffuse interfaces, where we mix (i.e. alloy) Te and Se, and estimate the strain response.

  15. Prebiotic hydrocarbon synthesis in impacting reduced astrophysical icy mixtures

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

    Koziol, Lucas; Goldman, Nir

    2015-04-21

    We present results of prebiotic organic synthesis in shock-compressed reducing mixtures of simple ices from quantum molecular dynamics simulations extended to close to chemical equilibrium timescales. Given the relative abundance of carbon in reduced forms in astrophysical ices as well as the tendency of these mixtures to form complex hydrocarbons under the presence of external stimuli, it is possible that cometary impacts on a planetary surface could have yielded a larger array of prebiotic organic compounds than previously investigated. We find that the high pressures and temperatures due to shock compression yield a large assortment of carbon- and nitrogen-bonded extendedmore » structures that are highly reactive with short molecular lifetimes. Expansion and cooling causes these materials to break apart and form a wide variety of stable, potentially life-building compounds, including long-chain linear and branched hydrocarbons, large heterocyclic compounds, and a variety of different amines and exotic amino acids. Lastly, our results help provide a bottom-up understanding of hydrocarbon impact synthesis on the early Earth and its role in producing life-building molecules from simple starting materials.« less

  16. Heterojunctions of model CdTe/CdSe mixtures

    SciTech Connect (OSTI)

    van Swol, Frank; Zhou, Xiaowang W.; Challa, Sivakumar R.; Martin, James E.

    2015-03-18

    We report on the strain behavior of compound mixtures of model group IIVI semiconductors. We use the StillingerWeber Hamiltonian that we recently introduced, specifically developed to model binary mixtures of group IIVI compounds such as CdTe and CdSe. We also employ molecular dynamics simulations to examine the behavior of thin sheets of material, bilayers of CdTe and CdSe. The lattice mismatch between the two compounds leads to a strong bending of the entire sheet, with about a 0.5 to 1 deflection between neighboring planes. To further analyze bilayer bending, we introduce a simple one-dimensional model and use energy minimization to find the angle of deflection. The analysis is equivalent to a least-squares straight line fit. We consider the effects of bilayers which are asymmetric with respect to the thickness of the CdTe and CdSe parts. We thus learn that the bending can be subdivided into four kinds depending on the compressive/tensile nature of each outer plane of the sheet. We use this approach to directly compare our findings with experimental results on the bending of CdTe/CdSe rods. To reduce the effects of the lattice mismatch we explore diffuse interfaces, where we mix (i.e. alloy) Te and Se, and estimate the strain response.

  17. Coal-oil-mixture technology: a status report

    SciTech Connect (OSTI)

    Lecky, J.A.

    1980-10-01

    Papers and discussions presented at the Second International Symposium on Coal-Oil-Mixture Combustion (November 27 to 29, 1979) are reviewed to assess the state of technology in this field. Environmental problems receive little attention; most appear soluble by current methods used to control emissions from coal burning. Economic studies indicate that converting oil-burning plants to COM burning would be profitable, even with retrofit costs. Experience with coal-oil mixtures (COM) has been encouraging in bench-scale tests, small boilers, and short-term plant tests, but extended, large-scale tests are needed prior to commercialization of COM. Major problems needing more investigation or plant experience are: lack of a definition of COM stability and a quick way to measure it; uncertainties as to COM structure and the mechanisms of how additives promote stability; heterogeneity of coals and oils; inadequate experience in COM storage and transportation; uncertainty about long-term effects of corrosion and erosion of components by COM, and existence of other possible operating problems. The US Department of Energy announced an expanded program for COM demonstration plants, and industrial firms are selling COM and offering to build plants to prepare it.

  18. Strongly coupled ionic mixtures and the H/He EOS

    SciTech Connect (OSTI)

    DeWitt, H.E.

    1993-12-02

    This paper summarizes recent work on the strongly coupled OCP and Binary Ionic Mixture equation of state and other thermodynamic quantities in white dwarf interior conditions for both fluid and solid phases with the assumption of a uniform background. Conditions for phase separation of different elements in fluid or solid phases is strongly dependent on deviations from the linear mixing rule which gives the equation of state as an additive function of the OCP equation of state. These deviations turn out to be small (a few parts in 10{sup 5}) and always positive including the case where the fraction of the higher Z component approaches 0. Also the equation of state of strongly coupled light elements (H and He particularly) obtained from simulations with a linear response description of the electrons is given for conditions appropriate to brown dwarf star interiors. Recent Livermore work on a band structure calculation of the enthalpy of H and He mixtures under jovian conditions is discussed. This work leads to a prediction of a high temperature (15,000 K) for miscibility of He in ionized H at 10 Mb.

  19. Apparatus and method for burning a lean, premixed fuel/air mixture with low NOx emission

    DOE Patents [OSTI]

    Kostiuk, Larry W.; Cheng, Robert K.

    1996-01-01

    An apparatus for enabling a burner to stably burn a lean fuel/air mixture. The burner directs the lean fuel/air mixture in a stream. The apparatus comprises an annular flame stabilizer; and a device for mounting the flame stabilizer in the fuel/air mixture stream. The burner may include a body having an internal bore, in which case, the annular flame stabilizer is shaped to conform to the cross-sectional shape of the bore, is spaced from the bore by a distance greater than about 0.5 mm, and the mounting device mounts the flame stabilizer in the bore. An apparatus for burning a gaseous fuel with low NOx emissions comprises a device for premixing air with the fuel to provide a lean fuel/air mixture; a nozzle having an internal bore through which the lean fuel/air mixture passes in a stream; and a flame stabilizer mounted in the stream of the lean fuel/air mixture. The flame stabilizer may be mounted in the internal bore, in which case, it is shaped and is spaced from the bore as just described. In a method of burning a lean fuel/air mixture, a lean fuel/air mixture is provided, and is directed in a stream; an annular eddy is created in the stream of the lean fuel/air mixture; and the lean fuel/air mixture is ignited at the eddy.

  20. Turbulent burning rates of methane and methane-hydrogen mixtures

    SciTech Connect (OSTI)

    Fairweather, M. [School of Process, Environmental and Materials Engineering, University of Leeds, Leeds LS2 9JT (United Kingdom); Ormsby, M.P.; Sheppard, C.G.W. [School of Mechanical Engineering, University of Leeds, Leeds LS2 9JT (United Kingdom); Woolley, R. [Department of Mechanical Engineering, University of Sheffield, Sheffield S1 3JD (United Kingdom)

    2009-04-15

    Methane and methane-hydrogen (10%, 20% and 50% hydrogen by volume) mixtures have been ignited in a fan stirred bomb in turbulence and filmed using high speed cine schlieren imaging. Measurements were performed at 0.1 MPa (absolute) and 360 K. A turbulent burning velocity was determined for a range of turbulence velocities and equivalence ratios. Experimental laminar burning velocities and Markstein numbers were also derived. For all fuels the turbulent burning velocity increased with turbulence velocity. The addition of hydrogen generally resulted in increased turbulent and laminar burning velocity and decreased Markstein number. Those flames that were less sensitive to stretch (lower Markstein number) burned faster under turbulent conditions, especially as the turbulence levels were increased, compared to stretch-sensitive (high Markstein number) flames. (author)

  1. Probing instabilities in arc plasma devices using binary gas mixtures

    SciTech Connect (OSTI)

    Ghorui, S.; Vysohlid, M.; Heberlein, J. V. R.; Pfender, E.

    2007-07-15

    This paper presents an experimental approach to identify the sources of instabilities in arc plasma devices. The phenomena of demixing in arcs have been utilized to explore the characteristics of different instabilities. Problems in explaining the observed behavior with our current understanding of the phenomena are discussed. Hydrogen is used as a secondary gas with argon as the primary plasma gas for this study. Results indicate that the observed behavior such as steady, takeover, and restrike modes of instabilities in arcs may essentially originate from the thin boundary layer over the anode wall primarily at the location of the anodic arc root. The bulk core flow apparently does not play any significant role in such instabilities. Arc currents rather than flow rates control the behavior of the instabilities in frequency space. Bifurcation of the system behavior and evidence for the existence of quadratic zones in flow space of binary gas mixtures separating steady and unsteady behavior are discussed.

  2. Thermophysical property measurements in fluid mixtures, Annual report

    SciTech Connect (OSTI)

    Olien, N.A.; Levelt Sengers, J.M.H.

    1986-09-01

    The objective of this program is the development of experimental methods for the measurement of equilibrium and transport properties of complex, multiphase fluids and fluid mixtures. The properties involved in the apparatus development are: PVT (pressure-volume-temperature), PVTx (pressure-volume-temperature-composition), phase equilibria (liquid-vapor and liquid-liquid equilibria), phase behavior at interfaces, and transport properties (viscosity, thermal conductivity, and diffusion coefficient). The apparatus are designed, where practical, for use in highly corrosive, toxic, and flammable fluids. The design goals for temperature and pressure are 800 K and 30 MPa (in some cases 70 MPa). It is not possible to meet these goals in all cases because of material requirements and limitations; for example, the need for visual cells for phase equilibria, the use of piezoelectric crystals for viscometry, and the temperature limitations of some pressure transducers. 8 refs.

  3. Salado mass concrete: Mixture development and preliminary characterization

    SciTech Connect (OSTI)

    Wakeley, L.D.; Ernzen, J.J.; Neeley, B.D.; Hansen, F.D.

    1994-06-01

    A salt-saturated concrete proportioned with Class H oilwell cement, Class F fly ash, and a shrinkage compensating component was developed to meet performance requirements for mass placement as seal components at the Waste Isolation Pilot Plant. Target properties of the concrete included 8-in. slump 3 hr after mixing, no aggregate segregation, heat rise of < 25{degrees}F 4 hr after mixing, compressive strength of 4,500 psi at 180 days, minimal volume change, and probable geochemical stability for repository conditions. Thermal and mechanical properties of promising candidate concrete mixtures were measured. Modulus of elasticity and creep behavior were similar to those of ordinary portland cement mass concretes. Thermal expansion for the salt-saturated concrete developed here was typical of ordinary concrete with similar silicate aggregates. Thermal conductivity, diffusivity, and specific heat approximated values measured for other mass concretes and were similar to values of the host salt rock.

  4. Electrosorption selectivity of ions from mixtures of electrolytes inside nanopores

    SciTech Connect (OSTI)

    Hou, Chia-Hung; Taboada Serrano, Patricia L; Yiacoumi, Sotira; Tsouris, Costas

    2008-01-01

    Grand canonical Monte Carlo (GCMC) simulations are employed to study the selective electrosorption of ions from a mixture of symmetric and asymmetric electrolytes confined in pores and results are compared to experimental observations obtained via cyclic voltammetry and batch electrosorption equilibrium experiments. GCMC simulations have the advantage over other Monte Carlo methods to unambiguously quantify the total number of ions in the pore solution. The exclusion parameter and selectivity factor are used to evaluate the selective capacity of pores toward different ionic species under various conditions. The number of coions inside the pore solution is determined by the proportion of different counterions present in the double-layer region. Because of the competitive effects resulting from asymmetries in charge and size associated with different ions, the electrosorption selectivity of small monovalent over large divalent counterions first decreases with increasing surface charge, passes through a minimum, and then increases with further increase in surface charge. At low and moderate surface charge densities, the fact that large divalent counterions preferentially screen the surface charge has a strong effect on pore occupancy; whereas at a very high surface charge density, size-exclusion effects dominate and determine the accessibility of different ions into the pores. Therefore, electrosorption selectivity of ions from a mixture of electrolytes could, in principle, be achieved via tuning the electrical double-layer formation inside the pores through the regulation of surface charge tailored for different ion characteristics. The findings of this work provide important information relevant to ion selectivity during separation processes and energy storage in supercapacitors.

  5. Leaching of Mixtures of Biochar and Fly Ash

    SciTech Connect (OSTI)

    Palumbo, Anthony Vito; Porat, Iris; Phillips, Jana Randolph; Amonette, J. E.; Drake, Meghan M; Brown, Steven D; Schadt, Christopher Warren

    2009-01-01

    Increasing atmospheric levels of greenhouse gases, especially CO2, and their effects on global temperature have led to interest in the possibility of carbon storage in terrestrial environments.2, 5, 6 Both the residual char from biomass pyrolysis7-9, 12 (biochar) and fly ash from coal combustion1, 13, 14 have the potential to significantly expand terrestrial sequestration options. Both biochar and fly ash also have potentially beneficial effects on soil properties. Fly ash has been shown to increase porosity, water-holding capacity, pH, conductivity, and dissolved SO42-, CO32-, Cl- and basic cations.10, 11, 16 Adding biochar to soil generally raises pH, increases total nitrogen and total phosphorous, encourages greater root development, improves cation exchange capacity and reduces available aluminum.3, 17 Combinations of these benefits likely lead to the observed increased yields for crops including corn and sugarcane.17 with biochar addition to soil. In addition, it has been found that soils with added biochar emit lower amounts of other greenhouse gases (methane and nitrous oxide) 8, 17 than do unammended soils. Biochar and fly ash amendments may be useful in promoting terrestrial carbon sequestration on currently underutilized and degraded lands. For example, about 1% of the US surface lands consist of previously mined lands or highway rights-of-way.18 Poorly managed lands could count for another 15% of US area. Biochar and fly ash amendments could increase productivity of these lands and increase carbon storage in the soil Previous results showed minimal leaching of organic carbon and metals from a variety of fly ashes.15 Here, we are examining the properties of mixtures of biochar, fly ash, and soil and evaluating leaching of organic carbon and metals from the mixtures.

  6. The underlying toxicological mechanism of chemical mixtures: A case study on mixture toxicity of cyanogenic toxicants and aldehydes to Photobacterium phosphoreum

    SciTech Connect (OSTI)

    Tian, Dayong; Lin, Zhifen; Zhou, Xianghong; Yin, Daqiang

    2013-10-15

    Intracellular chemical reaction of chemical mixtures is one of the main reasons that cause synergistic or antagonistic effects. However, it still remains unclear what the influencing factors on the intracellular chemical reaction are, and how they influence on the toxicological mechanism of chemical mixtures. To reveal this underlying toxicological mechanism of chemical mixtures, a case study on mixture toxicity of cyanogenic toxicants and aldehydes to Photobacterium phosphoreum was employed, and both their joint effects and mixture toxicity were observed. Then series of two-step linear regressions were performed to describe the relationships between joint effects, the expected additive toxicities and descriptors of individual chemicals (including concentrations, binding affinity to receptors, octanol/water partition coefficients). Based on the quantitative relationships, the underlying joint toxicological mechanisms were revealed. The result shows that, for mixtures with their joint effects resulting from intracellular chemical reaction, their underlying toxicological mechanism depends on not only their interaction with target proteins, but also their transmembrane actions and their concentrations. In addition, two generic points of toxicological mechanism were proposed including the influencing factors on intracellular chemical reaction and the difference of the toxicological mechanism between single reactive chemicals and their mixtures. This study provided an insight into the understanding of the underlying toxicological mechanism for chemical mixtures with intracellular chemical reaction. - Highlights: Joint effects of nitriles and aldehydes at non-equitoxic ratios were determined. A novel descriptor, ligandreceptor interaction energy (E{sub binding}), was employed. Quantitative relationships for mixtures were developed based on a novel descriptor. The underlying toxic mechanism was revealed based on quantitative relationships. Two generic points of

  7. Method for increasing the rate of compressive strength gain in hardenable mixtures containing fly ash

    DOE Patents [OSTI]

    Liskowitz, John W.; Wecharatana, Methi; Jaturapitakkul, Chai; Cerkanowicz, deceased, Anthony E.

    1997-01-01

    The present invention relates to concrete, mortar and other hardenable mixtures comprising cement and fly ash for use in construction. The invention provides a method for increasing the rate of strength gain of a hardenable mixture containing fly ash by exposing the fly ash to an aqueous slurry of calcium oxide (lime) prior to its incorporation into the hardenable mixture. The invention further relates to such hardenable mixtures, e.g., concrete and mortar, that contain fly ash pre-reacted with calcium oxide. In particular, the fly ash is added to a slurry of calcium oxide in water, prior to incorporating the fly ash in a hardenable mixture. The hardenable mixture may be concrete or mortar. In a specific embodiment, mortar containing fly ash treated by exposure to an aqueous lime slurry are prepared and tested for compressive strength at early time points.

  8. Method for increasing the rate of compressive strength gain in hardenable mixtures containing fly ash

    DOE Patents [OSTI]

    Liskowitz, J.W.; Wecharatana, M.; Jaturapitakkul, C.; Cerkanowicz, A.E.

    1997-10-28

    The present invention relates to concrete, mortar and other hardenable mixtures comprising cement and fly ash for use in construction. The invention provides a method for increasing the rate of strength gain of a hardenable mixture containing fly ash by exposing the fly ash to an aqueous slurry of calcium oxide (lime) prior to its incorporation into the hardenable mixture. The invention further relates to such hardenable mixtures, e.g., concrete and mortar, that contain fly ash pre-reacted with calcium oxide. In particular, the fly ash is added to a slurry of calcium oxide in water, prior to incorporating the fly ash in a hardenable mixture. The hardenable mixture may be concrete or mortar. In a specific embodiment, mortar containing fly ash treated by exposure to an aqueous lime slurry are prepared and tested for compressive strength at early time points. 2 figs.

  9. Methods and compositions for removing carbon dioxide from a gaseous mixture

    DOE Patents [OSTI]

    Li, Jing; Wu, Haohan

    2014-06-24

    Provided is a method for adsorbing or separating carbon dioxide from a mixture of gases by passing the gas mixture through a porous three-dimensional polymeric coordination compound having a plurality of layers of two-dimensional arrays of repeating structural units, which results in a lower carbon dioxide content in the gas mixture. Thus, this invention provides useful compositions and methods for removal of greenhouse gases, in particular CO.sub.2, from industrial flue gases or from the atmosphere.

  10. Membrane permeation process for dehydration of organic liquid mixtures using sulfonated ion-exchange polyalkene membranes

    DOE Patents [OSTI]

    Cabasso, Israel; Korngold, Emmanuel

    1988-01-01

    A membrane permeation process for dehydrating a mixture of organic liquids, such as alcohols or close boiling, heat sensitive mixtures. The process comprises causing a component of the mixture to selectively sorb into one side of sulfonated ion-exchange polyalkene (e.g., polyethylene) membranes and selectively diffuse or flow therethrough, and then desorbing the component into a gas or liquid phase on the other side of the membranes.

  11. Mixed-mode diesel HCCI with External Mixture Formation: Preliminary Results

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

    | Department of Energy Mixed-mode diesel HCCI with External Mixture Formation: Preliminary Results Mixed-mode diesel HCCI with External Mixture Formation: Preliminary Results 2003 DEER Conference Presentation: The Ohio State University 2003_deer_rizzoni.pdf (987.99 KB) More Documents & Publications Diesel HCCI with External Mixture Preparation Gasoline-like fuel effects on advanced combustion regimes A Mixed Mode HCCI/DI Engine Based on a Novel Heavy Fuel Atomizer

  12. Self-assembly of mixtures of nanorods in binary, phase-separating...

    Office of Scientific and Technical Information (OSTI)

    Title: Self-assembly of mixtures of nanorods in binary, phase-separating blends Aligned nanorod inclusions have the potential to significantly improve both the photovoltaic and ...

  13. Separation of a target substance from a fluid or mixture using...

    Office of Scientific and Technical Information (OSTI)

    the fluid or mixture by driving off the target substance from the capsules. Authors: Aines, Roger D ; Spadaccini, Christopher M ; Stolaroff, Joshuah K ; Bourcier, William L ;...

  14. Production and delivery of a fluid mixture to an annular volume of a wellbore

    DOE Patents [OSTI]

    Hermes, Robert E.; Bland, Ronald Gene; Foley, Ron Lee; Bloys, James B.; Gonzalez, Manuel E.; Daniel, John M.; Robinson, Ian M.; Carpenter, Robert B.

    2012-01-24

    The methods described herein generally relate to preparing and delivering a fluid mixture to a confined volume, specifically an annular volume located between two concentrically oriented casing strings within a hydrocarbon fluid producing well. The fluid mixtures disclosed herein are useful in controlling pressure in localized volumes. The fluid mixtures comprise at least one polymerizable monomer and at least one inhibitor. The processes and methods disclosed herein allow the fluid mixture to be stored, shipped and/or injected into localized volumes, for example, an annular volume defined by concentric well casing strings.

  15. Differential effects of a complex organochlorine mixture on the proliferation of breast cancer cell lines

    SciTech Connect (OSTI)

    Aube, Michel; Larochelle, Christian; Ayotte, Pierre; Laboratoire de Toxicologie, Institut national de sante publique du Quebec, 945 avenue Wolfe, Quebec, QC, Canada G1V 5B3

    2011-04-15

    Organochlorine compounds (OCs) are a group of persistent chemicals that accumulate in fatty tissues with age. Although OCs has been tested individually for their capacity to induce breast cancer cell proliferation, few studies examined the effect of complex mixtures that comprise compounds frequently detected in the serum of women. We constituted such an OC mixture containing 15 different components in environmentally relevant proportions and assessed its proliferative effects in four breast cancer cell lines (MCF-7, T47D, CAMA-1, MDAMB231) and in non-cancerous CV-1 cells. We also determined the capacity of the mixture to modulate cell cycle stage of breast cancer cells and to induce estrogenic and antiandrogenic effects using gene reporter assays. We observed that low concentrations of the mixture (100x10{sup 3} and 50x10{sup 3} dilutions) stimulated the proliferation of MCF-7 cells while higher concentrations (10x10{sup 3} and 5x10{sup 3} dilutions) had the opposite effect. In contrast, the mixture inhibited the proliferation of non-hormone-dependent cell lines. The mixture significantly increased the number of MCF-7 cells entering the S phase, an effect that was blocked by the antiestrogen ICI 182,780. Low concentrations of the mixture also caused an increase in CAMA-1 cell proliferation but only in the presence estradiol and dihydrotestosterone (p<0.05 at the 50x10{sup 3} dilution). DDT analogs and polychlorinated biphenyls all had the capacity to stimulate the proliferation of CAMA-1 cells in the presence of sex steroids. Reporter gene assays further revealed that the mixture and several of its constituents (DDT analogs, aldrin, dieldrin, {beta}-hexachlorocyclohexane, toxaphene) induced estrogenic effects, whereas the mixture and several components (DDT analogs, aldrin, dieldrin and PCBs) inhibited the androgen signaling pathway. Our results indicate that the complex OC mixture increases the proliferation of MCF-7 cells due to its estrogenic potential. The

  16. What Are the Best Materials to Separate a Xenon/Krypton Mixture...

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

    Best Materials to Separate a XenonKrypton Mixture? Previous Next List Simon, Cory M.; Mercado, Rocio; Schnell, Sondre; Smit, Berend; and Haranczyk, Maciej. What Are the Best...

  17. CO2-H2O Mixtures in the Geological Sequestration of CO2. II....

    Office of Scientific and Technical Information (OSTI)

    and Duan and Sun (2003), which can be extended to chloride solutions other than NaCl. ... BRINES; CHLORIDES; MIXTURES; REACTION KINETICS; SOLUBILITY; SUN; THERMODYNAMIC ACTIVITY

  18. CO2-H2O Mixtures in the Geological Sequestration of CO2. II....

    Office of Scientific and Technical Information (OSTI)

    and Duan and Sun (2003), which can be extended to chloride solutions other than NaCl. ... MIXTURES; REACTION KINETICS; SOLUBILITY; SUN; THERMODYNAMIC ACTIVITY Word Cloud More ...

  19. Slurried solid media for simultaneous water purification and carbon dioxide removal from gas mixtures

    DOE Patents [OSTI]

    Aines, Roger D.; Bourcier, William L.; Viani, Brian

    2013-01-29

    A slurried solid media for simultaneous water purification and carbon dioxide removal from gas mixtures includes the steps of dissolving the gas mixture and carbon dioxide in water providing a gas, carbon dioxide, water mixture; adding a porous solid media to the gas, carbon dioxide, water mixture forming a slurry of gas, carbon dioxide, water, and porous solid media; heating the slurry of gas, carbon dioxide, water, and porous solid media producing steam; and cooling the steam to produce purified water and carbon dioxide.

  20. Regenerable sorbent and method for removing hydrogen sulfide from hot gaseous mixtures

    DOE Patents [OSTI]

    Farrior, Jr., William L. (Morgantown, WV)

    1978-01-01

    Hydrogen sulfide is effectively removed from hot gaseous mixtures useful for industrial purposes by employing a solid absorbent consisting of silica-supported iron oxide in pellet form.

  1. Bonding and structure in dense multi-component molecular mixtures

    SciTech Connect (OSTI)

    Meyer, Edmund R.; Ticknor, Christopher; Bethkenhagen, Mandy; Hamel, Sebastien; Redmer, Ronald; Kress, Joel D.; Collins, Lee A.

    2015-10-30

    We have performed finite-temperature density functional theory molecular dynamics simulations on dense methane, ammonia, and water mixtures (CH4:NH3:H2O) for various compositions and temperatures (2000 K ≤ T ≤ 10000 K) that span a set of possible conditions in the interiors of ice-giant exoplanets. The equation-of-state, pair distribution functions, and bond autocorrelation functions (BACF) were used to probe the structure and dynamics of these complex fluids. In particular, an improvement to the choice of the cutoff in the BACF was developed that allowed analysis refinements for density and temperature effects. We note the relative changes in the nature of these systems engendered by variations in the concentration ratios. As a result, a basic tenet emerges from all these comparisons that varying the relative amounts of the three heavy components (C,N,O) can effect considerable changes in the nature of the fluid and may in turn have ramifications for the structure and composition of various planetary layers.

  2. Physical and mechanical properties of bituminous mixtures containing oil shales

    SciTech Connect (OSTI)

    Katamine, N.M.

    2000-04-01

    Rutting of bituminous surfaces on the Jordanian highways is a recurring problem. Highway authorities are exploring the use of extracted shale oil and oil shale fillers, which are abundant in Jordan. The main objectives of this research are to investigate the rheological properties of shale oil binders (conventional binder with various percentages of shale oil), in comparison with a conventional binder, and to investigate the ability of mixes to resist deformation. The latter is done by considering three wearing course mixes containing three different samples of oil shale fillers--which contained three different oil percentages--together with a standard mixture containing limestone filler. The Marshall design method and the immersion wheel tracking machine were adopted. It was concluded that the shale oil binders displayed inconsistent physical properties and therefore should be treated before being used. The oil shale fillers have provided mixes with higher ability to resist deformation than the standard mix, as measured by the Marshall quotients and the wheel tracking machine. The higher the percentages of oil in the oil shale fillers, the lower the ability of the mixes to resist deformation.

  3. Characterization and modeling of multiphase mixtures from deep, subsea wells

    SciTech Connect (OSTI)

    Song, S.; Hill, A.D.

    1996-09-01

    The effects of flow in a vertical pipe on the flow in subsequent horizontal pipes were investigated by performing both experimental and theoretical studies. This geometry mimics production from subsea wells connected to subsea horizontal flow lines. The fluids were conducted into a 153-meter deep well through two different casings, allowing the mixtures to flow up through a 5.08 cm ID vertical pipe and then into a horizontal flow loop which consists of two pipes with 6.35 cm ID and 18.4 cm ID, respectively. The flow regime behaviors in the horizontal pipes were studied for a wide range of flow rates. From the tests, it was found that the flow regimes in the small horizontal pipe were greatly affected by the flows in the vertical pipe while the flow regimes in the large horizontal pipe were hardly affected. A theoretical model based on wave mechanics was developed to simulate the process of the liquid slugs formed in the vertical pipe being carried over into the horizontal pipe. The theoretical predictions matched the experimental observations very well. The results of this study will greatly benefit the understanding of the flow regime behavior that will occur in deep, subsea flow lines transporting multiple phases from subsea completions.

  4. Polymer crowding and shape distributions in polymer-nanoparticle mixtures

    SciTech Connect (OSTI)

    Lim, Wei Kang; Denton, Alan R.

    2014-09-21

    Macromolecular crowding can influence polymer shapes, which is important for understanding the thermodynamic stability of polymer solutions and the structure and function of biopolymers (proteins, RNA, DNA) under confinement. We explore the influence of nanoparticle crowding on polymer shapes via Monte Carlo simulations and free-volume theory of a coarse-grained model of polymer-nanoparticle mixtures. Exploiting the geometry of random walks, we model polymer coils as effective penetrable ellipsoids, whose shapes fluctuate according to the probability distributions of the eigenvalues of the gyration tensor. Accounting for the entropic cost of a nanoparticle penetrating a larger polymer coil, we compute the crowding-induced shift in the shape distributions, radius of gyration, and asphericity of ideal polymers in a theta solvent. With increased nanoparticle crowding, we find that polymers become more compact (smaller, more spherical), in agreement with predictions of free-volume theory. Our approach can be easily extended to nonideal polymers in good solvents and used to model conformations of biopolymers in crowded environments.

  5. Interfacial tension in high-pressure carbon dioxide mixtures

    SciTech Connect (OSTI)

    Chun, B.S.; Wilkinson, G.T.

    1995-12-01

    High-pressure interfacial- and surface-tension phenomena govern the migration and recovery of oil and gas from hydrocarbon reservoirs. The phenomena are of particular relevance to phase separation and mass transfer in light hydrocarbon fractionation plants and in propane deasphalting in lubricating oil refining. Interfacial tensions of carbon dioxide-water-alcohol mixtures were measured at temperatures in the range 5--71 C and pressures 0.1--18.6 MPa, using the capillary rise method. The alcohols were methanol (0.136 mf), ethanol (to 0.523 mf), and isopropyl alcohol (to 0.226 mf). Interfacial tension (IFT) decreased linearly with both temperature and pressure din the low-pressure range (gaseous CO{sub 2}) but was largely independent of pressure at high pressure (liquid or supercritical CO{sub 2}). There was a zone in the vicinity of the critical pressure of CO{sub 2}-as much as 20 C below and 10 C above the carbon dioxide critical temperature--where IFT became small. This is attributed to the formation of a second CO{sub 2}-rich phase. The isotherms exhibited a crossover pressure near 3 MPa for all systems examined.

  6. Flammability of selected heat resistant alloys in oxygen gas mixtures

    SciTech Connect (OSTI)

    Zawierucha, R.; McIlroy, K.; Million, J.F.

    1995-12-31

    Within recent years, the use of oxygen has increased in applications where elevated temperatures and corrosion may be significant factors. In such situations, traditional alloys used in oxygen systems will not be adequate. Where alternative alloys must be utilized, based upon environmental requirements, it is essential that they may be characterized with respect to their ignition and combustion resistance in oxygen. Promoted ignition and promoted ignition-combustion are terms which have been used to describe a situation where a substance with low oxygen supports the combustion of a compatibility ignites and more ignition resistant material. In this paper, data will be presented on the promoted ignition-combustion behavior of selected heat resistant engineering alloys that may be considered for gaseous oxygen applications in severe environments. In this investigation, alloys have been evaluated via both flowing and static (fixed volume) approaches using a rod configuration. Oxygen-nitrogen gas mixtures with compositions ranging from approximately 40 to 99.7% oxygen at pressures of 3.55 to 34.6 MPa were used in the comparative studies.

  7. Bonding and structure in dense multi-component molecular mixtures

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

    Meyer, Edmund R.; Ticknor, Christopher; Bethkenhagen, Mandy; Hamel, Sebastien; Redmer, Ronald; Kress, Joel D.; Collins, Lee A.

    2015-10-30

    We have performed finite-temperature density functional theory molecular dynamics simulations on dense methane, ammonia, and water mixtures (CH4:NH3:H2O) for various compositions and temperatures (2000 K ≤ T ≤ 10000 K) that span a set of possible conditions in the interiors of ice-giant exoplanets. The equation-of-state, pair distribution functions, and bond autocorrelation functions (BACF) were used to probe the structure and dynamics of these complex fluids. In particular, an improvement to the choice of the cutoff in the BACF was developed that allowed analysis refinements for density and temperature effects. We note the relative changes in the nature of these systemsmore » engendered by variations in the concentration ratios. As a result, a basic tenet emerges from all these comparisons that varying the relative amounts of the three heavy components (C,N,O) can effect considerable changes in the nature of the fluid and may in turn have ramifications for the structure and composition of various planetary layers.« less

  8. Process for the synthesis of aliphatic alcohol-containing mixtures

    DOE Patents [OSTI]

    Greene, M.I.; Gelbein, A.P.

    1984-10-16

    A process for the synthesis of mixtures which include saturated aliphatic alcohols is disclosed. In the first step of the process, the first catalyst activation stage, a catalyst, which comprises the oxides of copper, zinc, aluminum, potassium and one or two additional metals selected from the group consisting of chromium, magnesium, cerium, cobalt, thorium and lanthanum, is partially activated. In this step, a reducing gas stream, which includes hydrogen and at least one inert gas, flows past the catalyst at a space velocity of up to 5,000 liters (STP) per hour, per kilogram of catalyst. The partially activated catalyst is then subjected to the second step of the process, second-stage catalyst activation. In this step, the catalyst is contacted by an activation gas stream comprising hydrogen and carbon monoxide present in a volume ratio of 0.5:1 and 4:1, respectively, at a temperature of 200 to 450 C and a pressure of between 35 and 200 atmospheres. The activation gas flows at a space velocity of from 1,000 to 20,000 liters (STP) per hour, per kilogram of catalyst. Second-stage activation continues until the catalyst is contacted with at least 500,000 liters (STP) of activation gas per kilogram of catalyst. The fully activated catalyst, in the third step of the process, contacts a synthesis gas stream comprising hydrogen and carbon monoxide.

  9. Process for the synthesis of aliphatic alcohol-containing mixtures

    DOE Patents [OSTI]

    Greene, Marvin I.; Gelbein, Abraham P.

    1984-01-01

    A process for the synthesis of mixtures which include saturated aliphatic alcohols is disclosed. In the first step of the process, the first catalyst activation stage, a catalyst, which comprises the oxides of copper, zinc, aluminum, potassium and one or two additional metals selected from the group consisting of chromium, magnesium, cerium, cobalt, thorium and lanthanum, is partially activated. In this step, a reducing gas stream, which includes hydrogen and at least one inert gas, flows past the catalyst at a space velocity of up to 5,000 liters (STP) per hour, per kilogram of catalyst. The partially activated catalyst is then subjected to the second step of the process, second-stage catalyst activation. In this step, the catalyst is contacted by an activation gas stream comprising hydrogen and carbon monoxide present in a volume ratio of 0.5:1 and 4:1, respectively, at a temperature of 200.degree. to 450.degree. C. and a pressure of between 35 and 200 atmospheres. The activation gas flows at a space velocity of from 1,000 to 20,000 liters (STP) per hour, per kilogram of catalyst. Second-stage activation continues until the catalyst is contacted with at least 500,000 liters (STP) of activation gas per kilogram of catalyst. The fully activated catalyst, in the third step of the process, contacts a synthesis gas stream comprising hydrogen and carbon monoxide.

  10. Corrosion and protection of mild steel in petroleum distillates electrolyte mixtures

    SciTech Connect (OSTI)

    Groysman, A.; Erdman, N.

    1999-11-01

    The purpose of this study is to examine the influence of water and salts present on the corrosion process in petroleum distillate electrolyte mixtures and evaluation of inorganic inhibitors efficiency for protection of mild steel in these mixtures. Most of the research in this area until now was done with hydrocarbon water mixtures with relatively high concentrations of water (above 5 % volume). This study was conducted using mixtures of light petroleum distillates (naphtha and gasoline) and water with water concentrations in the mixture below 5% volume. The study confirmed the electrochemical origin of the corrosion mechanism and showed that the main cause of the corrosion in the petroleum distillate water mixtures is the presence of water and dissolved oxygen. Critical added water concentrations were evaluated for naphtha-water and gasoline-water mixtures. The most efficient concentrations of inorganic inhibitors were determined and the inhibition mechanism was confirmed. Valuable data regarding different types of corrosion attack (pitting or uniform corrosion) on mild steel in petroleum distillate electrolyte mixtures was acquired during the study.

  11. Catalyst functionalized buffer sorbent pebbles for rapid separation of carbon dioxide from gas mixtures

    DOE Patents [OSTI]

    Aines, Roger D

    2015-03-31

    A method for separating CO.sub.2 from gas mixtures uses a slurried media impregnated with buffer compounds and coating the solid media with a catalyst or enzyme that promotes the transformation of CO.sub.2 to carbonic acid. Buffer sorbent pebbles with a catalyst or enzyme coating are provided for rapid separation of CO.sub.2 from gas mixtures.

  12. Catalyst functionalized buffer sorbent pebbles for rapid separation of carbon dioxide from gas mixtures

    DOE Patents [OSTI]

    Aines, Roger D.

    2013-03-12

    A method for separating CO.sub.2 from gas mixtures uses a slurried media impregnated with buffer compounds and coating the solid media with a catalyst or enzyme that promotes the transformation of CO.sub.2 to carbonic acid. Buffer sorbent pebbles with a catalyst or enzyme coating are provided for rapid separation of CO.sub.2 from gas mixtures.

  13. Sequestration of CO2 in Mixtures of Bauxite Residue and Saline Wastewater

    SciTech Connect (OSTI)

    Dilmore, R.M.; Lu, Peng; Allen, D.E.; Soong, Yee; Hedges, S.W.; Fu, J.K.; Dobbs, C.L.; DeGalbo, A.D.; Zhu, Chen

    2008-01-01

    Experiments were conducted to explore the concept of beneficially utilizing mixtures of caustic bauxite residue slurry (pH 13) and produced oil-field brine to sequester carbon dioxide from flue gas generated from industrial point sources. Data presented herein provide a preliminary assessment of the overall feasibility of this treatment concept. The Carbonation capacity of bauxite residue/brine mixtures was considered over the full range of reactant mixture combinations in 10% increments by volume. A bauxite residue/brine mixture of 90/10 by volume exhibited a CO2 sequestration capacity of greater than 9.5 g/L when exposed to pure CO2 at 20 °C and 0.689 MPa (100 psig). Dawsonite and calcite formation were predicted to be the dominant products of bauxite/brine mixture carbonation. It is demonstrated that CO2 sequestration is augmented by adding bauxite residue as a caustic agent to acidic brine solutions and that trapping is accomplished through both mineralization and solubilization. The product mixture solution was, in nearly all mixtures, neutralized following carbonation. However, in samples (bauxite residue/brine mixture of 90/10 by volume) containing bauxite residue solids, the pH was observed to gradually increase to as high as 9.7 after aging for 33 days, suggesting that the CO2 sequestration capacity of the samples increases with aging. Our geochemical models generally predicted the experimental results of carbon sequestration capacities and solution pH.

  14. Method and compositions for the degradation of tributyl phosphate in chemical waste mixtures

    DOE Patents [OSTI]

    Stoner, Daphne L.; Tien, Albert J.

    1995-01-01

    A method and process for the degradation of tributyl phosphate in an organic waste mixture and a biologically pure, novel bacteria culture for accomplishing the same. A newly-discovered bacteria (a strain of Acinetobacter sp. ATCC 55587) is provided which is combined in a reactor vessel with a liquid waste mixture containing tributyl phosphate and one or more organic waste compounds capable of functioning as growth substrates for the bacteria. The bacteria is thereafter allowed to incubate within the waste mixture. As a result, the tributyl phosphate and organic compounds within the waste mixture are metabolized (degraded) by the bacteria, thereby eliminating such materials which are environmentally hazardous. In addition, the bacteria is capable of degrading waste mixtures containing high quantities of tributyl phosphate (e.g. up to about 1.0% by weight tributyl phosphate).

  15. Method and compositions for the degradation of tributyl phosphate in chemical waste mixtures

    DOE Patents [OSTI]

    Stoner, D.L.; Tien, A.J.

    1995-09-26

    A method and process are disclosed for the degradation of tributyl phosphate in an organic waste mixture and a biologically pure, novel bacteria culture for accomplishing the same. A newly-discovered bacteria (a strain of Acinetobacter sp. ATCC 55587) is provided which is combined in a reactor vessel with a liquid waste mixture containing tributyl phosphate and one or more organic waste compounds capable of functioning as growth substrates for the bacteria. The bacteria is thereafter allowed to incubate within the waste mixture. As a result, the tributyl phosphate and organic compounds within the waste mixture are metabolized (degraded) by the bacteria, thereby eliminating such materials which are environmentally hazardous. In addition, the bacteria is capable of degrading waste mixtures containing high quantities of tributyl phosphate (e.g. up to about 1.0% by weight tributyl phosphate). 6 figs.

  16. Leaching of mixtures of biochar and fly ash

    SciTech Connect (OSTI)

    Palumbo, Anthony V.; Porat, Iris; Phillips, Jana R.; Amonette, James E.; Drake, Meghan M.; Brown, Steven D.; Schadt, Christopher W.

    2009-06-22

    Increasing atmospheric levels of greenhouse gases, especially CO2, and their effects on global temperature have led to interest in the possibility of carbon storage in terrestrial environments. Both the residual char from biomass pyrolysis (biochar) and fly ash from coal combustion have the potential to significantly expand terrestrial sequestration options. Both biochar and fly ash also have potentially beneficial effects on soil properties. Fly ash has been shown to increase porosity, water-holding capacity, pH, conductivity, and dissolved SO42-, CO32-, Cl- and basic cations. Adding biochar to soil generally raises pH, increases total nitrogen and total phosphorous, encourages greater root development, improves cation exchange capacity and decreases available aluminum. A combination of these benefits likely is responsible for observed increases in yields for crops such as corn and sugarcane. In addition, it has been found that soils with added biochar emit lower amounts of other greenhouse gases (methane and nitrous oxide) than do unamended soils. Biochar and fly ash amendments may be useful in promoting terrestrial carbon sequestration on currently underutilized and degraded lands. For example, about 1% of the US surface lands consist of previously mined lands or highway rights-of-way. Poorly managed lands could count for another 15% of US area. Biochar and fly ash amendments could increase productivity of these lands and increase carbon storage in the soil. Previous results showed minimal leaching of organic carbon and metals from a variety of fly ashes. In the present study, we examined the properties of mixtures of biochar, fly ash, and soil and evaluated the leaching of organic carbon and metals from these mixtures. The carbon sorption experiments showed release of carbon from biochar, rather than sorption, except at the highest concentrations in the Biochar HW sample. Similar results were obtained by others for oxidative leaching of bituminous coal, in

  17. Morphological Characterization of DMPC/CHAPSO Bicellar Mixtures: A Combined SANS and NMR Study

    SciTech Connect (OSTI)

    Li, Ming; Morales, Hannah H; Katsaras, John; Kucerka, Norbert; Yang, Yongkun; Macdonald, P; Nieh, Mu-Ping

    2013-01-01

    Spontaneously forming structures of a system composed of dimyristoyl phosphatidylcholine (DMPC) and 3-[(3-cholamidopropyl)dimethylammonio]-2-hydroxy-1-propanesulfonate (CHAPSO) were studied by small-angle neutron scattering (SANS), 31P NMR, and stimulated echo (STE) pulsed field gradient (PFG) 1H NMR diffusion measurements. Charged lipid dimyristoyl phosphatidylglycerol (DMPG) was used to induce different surface charge densities. The structures adopted were investigated as a function of temperature and lipid concentration for samples with a constant molar ratio of long-chain to short-chain lipids (=3). In the absence of DMPG, zwitterionic bicellar mixtures exhibited a phase transition from discoidal bicelles, or ribbons, to multilamellar vesicles either upon dilution or with increased temperature. CHAPSO-containing mixtures showed a higher thermal stability in morphology than DHPC-containing mixtures at the corresponding lipid concentrations. In the presence of DMPG, discoidal bicelles (or ribbons) were also found at low temperature and lower lipid concentration mixtures. At high temperature, perforated lamellae were observed in high concentration mixtures ( 7.5 wt %) whereas uniform unilamellar vesicles and bicelles formed in low-concentration mixtures ( 2.5 wt %), respectively, when the mixtures were moderately and highly charged. From the results, spontaneous structural diagrams of the zwitterionic and charged systems were constructed.

  18. Method of separating short half-life radionuclides from a mixture of radionuclides

    DOE Patents [OSTI]

    Bray, L.A.; Ryan, J.L.

    1999-03-23

    The present invention is a method of removing an impurity of plutonium, lead or a combination thereof from a mixture of radionuclides that contains the impurity and at least one parent radionuclide. The method has the steps of (a) insuring that the mixture is a hydrochloric acid mixture; (b) oxidizing the acidic mixture and specifically oxidizing the impurity to its highest oxidation state; and (c) passing the oxidized mixture through a chloride form anion exchange column whereupon the oxidized impurity absorbs to the chloride form anion exchange column and the {sup 229}Th or {sup 227}Ac ``cow`` radionuclide passes through the chloride form anion exchange column. The plutonium is removed for the purpose of obtaining other alpha emitting radionuclides in a highly purified form suitable for medical therapy. In addition to plutonium, lead, iron, cobalt, copper, uranium, and other metallic cations that form chloride anionic complexes that may be present in the mixture are removed from the mixture on the chloride form anion exchange column. 8 figs.

  19. Method of separating short half-life radionuclides from a mixture of radionuclides

    DOE Patents [OSTI]

    Bray, Lane A.; Ryan, Jack L.

    1999-01-01

    The present invention is a method of removing an impurity of plutonium, lead or a combination thereof from a mixture of radionuclides that contains the impurity and at least one parent radionuclide. The method has the steps of (a) insuring that the mixture is a hydrochloric acid mixture; (b) oxidizing the acidic mixture and specifically oxidizing the impurity to its highest oxidation state; and (c) passing the oxidized mixture through a chloride form anion exchange column whereupon the oxidized impurity absorbs to the chloride form anion exchange column and the 22.sup.9 Th or 2.sup.27 Ac "cow" radionuclide passes through the chloride form anion exchange column. The plutonium is removed for the purpose of obtaining other alpha emitting radionuclides in a highly purified form suitable for medical therapy. In addition to plutonium; lead, iron, cobalt, copper, uranium, and other metallic cations that form chloride anionic complexes that may be present in the mixture; are removed from the mixture on the chloride form anion exchange column.

  20. In vitro - in vivo correlations for endocrine activity of a mixture of currently used pesticides

    SciTech Connect (OSTI)

    Taxvig, Camilla; Hadrup, Niels; Boberg, Julie; Axelstad, Marta; Bossi, Rossana; Bonefeld-Jørgensen, Eva Cecilie; Vinggaard, Anne Marie

    2013-11-01

    Two pesticide mixtures were investigated for potential endocrine activity. Mix 3 consisted of bitertanol, propiconazole, and cypermethrin, and Mix 5 included malathion and terbuthylazine in addition to the three pesticides in Mix 3. All five single pesticides and the two mixtures were investigated for their ability to affect steroidogenesis in vitro in H295R cells. The pesticides alone and both mixtures affected steroidogenesis with both mixtures causing increase in progesterone and decrease in testosterone. For Mix 5 an increase in estradiol was seen as well, indicating increased aromatase activity. The two mixtures were also investigated in pregnant rats dosed from gestational day 7 to 21, followed by examination of dams and fetuses. Decreased estradiol and reduced placental testosterone were seen in dams exposed to Mix 5. Also a significant increase in aromatase mRNA-levels in female adrenal glands was found for Mix5. However, either of the two mixtures showed any effects on fetal hormone levels in plasma or testis, or on anogenital distance. Overall, potential aromatase induction was found for Mix 5 both in vitro and in vivo, but not for Mix 3, an effect likely owed to terbuthylazine in Mix 5. However, the hormonal responses in vitro were only partly reflected in vivo, probably due to some toxicokinetic issues, as the pesticide levels in the amniotic fluid also were found to be negatively affected by the number of compounds present in the mixtures. Nonetheless, the H295R assay gives hints on conceivable interference with steroidogenesis, thus generating hypotheses on in vivo effects. - Highlights: • The study examines the endocrine disrupting potential of mixtures of pesticides. • All single pesticides and both mixtures affected steroidogenesis in vitro. • Potential aromatase induction was found for Mix 5 both in vitro and in vivo. • The hormonal responses in vitro were only partly reflected in vivo.

  1. Modeling mixtures of thyroid gland function disruptors in a vertebrate alternative model, the zebrafish eleutheroembryo

    SciTech Connect (OSTI)

    Thienpont, Benedicte; Barata, Carlos; Ralda, Demetrio

    2013-06-01

    Maternal thyroxine (T4) plays an essential role in fetal brain development, and even mild and transitory deficits in free-T4 in pregnant women can produce irreversible neurological effects in their offspring. Women of childbearing age are daily exposed to mixtures of chemicals disrupting the thyroid gland function (TGFDs) through the diet, drinking water, air and pharmaceuticals, which has raised the highest concern for the potential additive or synergic effects on the development of mild hypothyroxinemia during early pregnancy. Recently we demonstrated that zebrafish eleutheroembryos provide a suitable alternative model for screening chemicals impairing the thyroid hormone synthesis. The present study used the intrafollicular T4-content (IT4C) of zebrafish eleutheroembryos as integrative endpoint for testing the hypotheses that the effect of mixtures of TGFDs with a similar mode of action [inhibition of thyroid peroxidase (TPO)] was well predicted by a concentration addition concept (CA) model, whereas the response addition concept (RA) model predicted better the effect of dissimilarly acting binary mixtures of TGFDs [TPO-inhibitors and sodium-iodide symporter (NIS)-inhibitors]. However, CA model provided better prediction of joint effects than RA in five out of the six tested mixtures. The exception being the mixture MMI (TPO-inhibitor)-KClO{sub 4} (NIS-inhibitor) dosed at a fixed ratio of EC{sub 10} that provided similar CA and RA predictions and hence it was difficult to get any conclusive result. There results support the phenomenological similarity criterion stating that the concept of concentration addition could be extended to mixture constituents having common apical endpoints or common adverse outcomes. - Highlights: Potential synergic or additive effect of mixtures of chemicals on thyroid function. Zebrafish as alternative model for testing the effect of mixtures of goitrogens. Concentration addition seems to predict better the effect of mixtures

  2. Separation of a target substance from a fluid or mixture using encapsulated sorbents

    SciTech Connect (OSTI)

    Aines, Roger D; Spadaccini, Christopher M; Stolaroff, Joshuah K; Bourcier, William L; Lewis, Jennifer A; Duoss, Eric B; Vericella, John J

    2014-09-16

    Method and apparatus for separating a target substance from a fluid or mixture. Capsules having a coating and stripping solvents encapsulated in the capsules are provided. The coating is permeable to the target substance. The capsules having a coating and stripping solvents encapsulated in the capsules are exposed to the fluid or mixture. The target substance migrates through the coating and is taken up by the stripping solvents. The target substance is separated from the fluid or mixture by driving off the target substance from the capsules.

  3. Method of producing homogeneous mixed metal oxides and metal-metal oxide mixtures

    DOE Patents [OSTI]

    Quinby, Thomas C.

    1978-01-01

    Metal powders, metal oxide powders, and mixtures thereof of controlled particle size are provided by reacting an aqueous solution containing dissolved metal values with excess urea. Upon heating, urea reacts with water from the solution leaving a molten urea solution containing the metal values. The molten urea solution is heated to above about 180.degree. C. whereupon metal values precipitate homogeneously as a powder. The powder is reduced to metal or calcined to form oxide particles. One or more metal oxides in a mixture can be selectively reduced to produce metal particles or a mixture of metal and metal oxide particles.

  4. High-temperature sorbent method for removal of sulfur containing gases from gaseous mixtures

    DOE Patents [OSTI]

    Young, J.E.; Jalan, V.M.

    1984-06-19

    A copper oxide-zinc oxide mixture is used as a sorbent for removing hydrogen sulfide and other sulfur containing gases at high temperatures from a gaseous fuel mixture. This high-temperature sorbent is especially useful for preparing fuel gases for high temperature fuel cells. The copper oxide is initially reduced in a preconditioning step to elemental copper and is present in a highly dispersed state throughout the zinc oxide which serves as a support as well as adding to the sulfur sorption capacity. The spent sorbent is regenerated by high-temperature treatment with an air fuel, air steam mixture followed by hydrogen reduction to remove and recover the sulfur.

  5. High-temperature sorbent method for removal of sulfur-containing gases from gaseous mixtures

    DOE Patents [OSTI]

    Young, J.E.; Jalan, V.M.

    1982-07-07

    A copper oxide-zinc oxide mixture is used as a sorbent for removing hydrogen sulfide and other sulfur containing gases at high temperatures from a gaseous fuel mixture. This high-temperature sorbent is especially useful for preparing fuel gases for high temperature fuel cells. The copper oxide is initially reduced in a preconditioning step to elemental copper and is present in a highly dispersed state throughout the zinc oxide which serves as a support as well as adding to the sulfur sorbtion capacity. The spent sorbent is regenerated by high-temperature treatment with an air fuel, air steam mixture followed by hydrogen reduction to remove and recover the sulfur.

  6. Storage of H.sub.2 by absorption and/or mixture within a fluid medium

    DOE Patents [OSTI]

    Berry, Gene David; Aceves, Salvador Martin

    2007-03-20

    For the first time, a hydrogen storage method, apparatus and system having a fluid mixture is provided. At predetermined pressures and/or temperatures within a contained substantially fixed volume, the fluid mixture can store a high density of hydrogen molecules, wherein a predetermined phase of the fluid mixture is capable of being withdrawn from the substantially fixed volume for use as a vehicle fuel or energy storage having reduced and/or eliminated evaporative losses, especially where storage weight, vessel cost, vessel shape, safety, and energy efficiency are beneficial.

  7. High-temperature sorbent method for removal of sulfur containing gases from gaseous mixtures

    DOE Patents [OSTI]

    Young, John E.; Jalan, Vinod M.

    1984-01-01

    A copper oxide-zinc oxide mixture is used as a sorbent for removing hydrogen sulfide and other sulfur containing gases at high temperatures from a gaseous fuel mixture. This high-temperature sorbent is especially useful for preparing fuel gases for high temperature fuel cells. The copper oxide is initially reduced in a preconditioning step to elemental copper and is present in a highly dispersed state throughout the zinc oxide which serves as a support as well as adding to the sulfur sorption capacity. The spent sorbent is regenerated by high-temperature treatment with an air fuel, air steam mixture followed by hydrogen reduction to remove and recover the sulfur.

  8. Measurement of nitrogen content in a gas mixture by transforming the nitrogen into a substance detectable with nondispersive infrared detection

    DOE Patents [OSTI]

    Owen, Thomas E.; Miller, Michael A.

    2010-08-24

    A method of determining the amount of nitrogen in a gas mixture. The constituent gases of the mixture are dissociated and transformed to create a substance that may measured using nondispersive infrared adsorption techniques.

  9. Measurement of nitrogen content in a gas mixture by transforming the nitrogen into a substance detectable with nondispersive infrared detection

    DOE Patents [OSTI]

    Owen, Thomas E.; Miller, Michael A.

    2007-03-13

    A method of determining the amount of nitrogen in a gas mixture. The constituent gases of the mixture are dissociated and transformed to create a substance that may measured using nondispersive infrared adsorption techniques.

  10. The production of high load coal-water mixtures on the base of Kansk-Achinsk Coal Basin

    SciTech Connect (OSTI)

    Demidov, Y.; Bruer, G.; Kolesnikova, S.

    1995-12-01

    The results of the {open_quotes}KATEKNIIugol{close_quotes} work on the problems of high load coal-water mixtures are given in this article. General principles of the mixture production, short characteristics of Kansk-Achinsk coals, the experimental results of the coal mixture production on a test-industrial scale, the suspension preparation on the base of coal mixtures, technical-economical indexes of tested coal pipeline variants based on Kansk-Achinsk coals are described.

  11. Mixtures of SF6 CO2 as working fluids for geothermal power plants...

    Office of Scientific and Technical Information (OSTI)

    13 and 15% mole content of SF6 in a CO2- SF6 mixture for a Brayton cycle and a Rankine cycle, respectively. Authors: Yin, Hebi 1 ; Sabau, Adrian S 1 ; Conklin, Jim...

  12. Kinetic Modeling of Gasoline Surrogate Components and Mixtures under Engine Conditions

    SciTech Connect (OSTI)

    Mehl, M; Pitz, W J; Westbrook, C K; Curran, H J

    2010-01-11

    Real fuels are complex mixtures of thousands of hydrocarbon compounds including linear and branched paraffins, naphthenes, olefins and aromatics. It is generally agreed that their behavior can be effectively reproduced by simpler fuel surrogates containing a limited number of components. In this work, an improved version of the kinetic model by the authors is used to analyze the combustion behavior of several components relevant to gasoline surrogate formulation. Particular attention is devoted to linear and branched saturated hydrocarbons (PRF mixtures), olefins (1-hexene) and aromatics (toluene). Model predictions for pure components, binary mixtures and multicomponent gasoline surrogates are compared with recent experimental information collected in rapid compression machine, shock tube and jet stirred reactors covering a wide range of conditions pertinent to internal combustion engines (3-50 atm, 650-1200K, stoichiometric fuel/air mixtures). Simulation results are discussed focusing attention on the mixing effects of the fuel components.

  13. Characterization of zirconia- and niobia-silica mixture coatings produced by ion-beam sputtering

    SciTech Connect (OSTI)

    Melninkaitis, Andrius; Tolenis, Tomas; Mazule, Lina; Mirauskas, Julius; Sirutkaitis, Valdas; Mangote, Benoit; Fu Xinghai; Zerrad, Myriam; Gallais, Laurent; Commandre, Mireille; Kicas, Simonas; Drazdys, Ramutis

    2011-03-20

    ZrO{sub 2}-SiO{sub 2} and Nb{sub 2}O{sub 5}-SiO{sub 2} mixture coatings as well as those of pure zirconia (ZrO{sub 2}), niobia (Nb{sub 2}O{sub 5}), and silica (SiO{sub 2}) deposited by ion-beam sputtering were investigated. Refractive-index dispersions, bandgaps, and volumetric fractions of materials in mixed coatings were analyzed from spectrophotometric data. Optical scattering, surface roughness, nanostructure, and optical resistance were also studied. Zirconia-silica mixtures experience the transition from crystalline to amorphous phase by increasing the content of SiO{sub 2}. This also results in reduced surface roughness. All niobia and silica coatings and their mixtures were amorphous. The obtained laser-induced damage thresholds in the subpicosecond range also correlates with respect to the silica content in both zirconia- and niobia-silica mixtures.

  14. Gas adsorption and gas mixture separations using mixed-ligand MOF material

    DOE Patents [OSTI]

    Hupp, Joseph T.; Mulfort, Karen L.; Snurr, Randall Q.; Bae, Youn-Sang

    2011-01-04

    A method of separating a mixture of carbon dioxiode and hydrocarbon gas using a mixed-ligand, metal-organic framework (MOF) material having metal ions coordinated to carboxylate ligands and pyridyl ligands.

  15. Gas adsorption and gas mixture separations using carborane-based MOF material

    DOE Patents [OSTI]

    Farha, Omar K.; Hupp, Joseph T.; Bae, Youn-Sang; Snurr, Randall Q.; Spokoyny, Alexander M.; Mirkin, Chad A.

    2010-06-29

    A method of separating a mixture of carbon dioxide and a hydrocarbon gas using a metal-organic framework (MOF) material having a three-dimensional carborane ligand structure.

  16. Equations of state and transport properties of mixtures in the warm dense regime

    SciTech Connect (OSTI)

    Hou, Yong; Dai, Jiayu; Kang, Dongdong; Ma, Wen; Yuan, Jianmin

    2015-02-15

    We have performed average-atom molecular dynamics to simulate the CH and LiH mixtures in the warm dense regime, and obtained equations of state and the ionic transport properties. The electronic structures are calculated by using the modified average-atom model, which have included the broadening of energy levels, and the ion-ion pair potentials of mixtures are constructed based on the temperature-dependent density functional theory. The ionic transport properties, such as ionic diffusion and shear viscosity, are obtained through the ionic velocity correlation functions. The equations of state and transport properties for carbon, hydrogen and lithium, hydrogen mixtures in a wide region of density and temperature are calculated. Through our computing the average ionization degree, average ion-sphere diameter and transition properties in the mixture, it is shown that transport properties depend not only on the ionic mass but also on the average ionization degree.

  17. Method and apparatus for separating mixtures of gases using an acoustic wave

    DOE Patents [OSTI]

    Geller, Drew A.; Swift, Gregory W.; Backhaus, Scott N.

    2004-05-11

    A thermoacoustic device separates a mixture of gases. An elongated duct is provided with first and second ends and has a length that is greater than the wavelength of sound in the mixture of gases at a selected frequency, and a diameter that is greater than a thermal penetration depth in the mixture of gases. A first acoustic source is located at the first end of the duct to generate acoustic power at the selected frequency. A plurality of side branch acoustic sources are spaced along the length of the duct and are configured to introduce acoustic power into the mixture of gases so that a first gas is concentrated at the first end of the duct and a second gas is concentrated at the second end of the duct.

  18. ACTION CONCENTRATION FOR MIXTURES OF VOLATILE ORGANIC COMPOUNDS (VOC) & METHANE & HYDROGEN

    SciTech Connect (OSTI)

    MARUSICH, R.M.

    2006-07-10

    Waste containers may contain volatile organic compounds (VOCs), methane, hydrogen and possibly propane. These constituents may occur individually or in mixtures. Determining if a waste container contains a flammable concentration of flammable gases and vapors (from VOCs) is important to the safety of the handling, repackaging and shipping activities. This report provides the basis for determining the flammability of mixtures of flammable gases and vapors. The concentration of a mixture that is at the lowest flammability limit for that mixture is called the action concentration. The action concentration can be determined using total VOC concentrations or actual concentration of each individual VOC. The concentrations of hydrogen and methane are included with the total VOC or individual VOC concentration to determine the action concentration. Concentrations below this point are not flammable. Waste containers with gas/vapor concentrations at or above the action concentration are considered flammable.

  19. Analysis of Trace Gas Mixtures Using an External Cavity Quantum Cascade Laser Sensor

    SciTech Connect (OSTI)

    Phillips, Mark C.; Taubman, Matthew S.; Brumfield, Brian E.; Kriesel, Jason M.

    2015-07-01

    We measure and analyze mixtures of trace gases at ppb-ppm levels using an external cavity quantum cascade laser sensor with a 1-second response time. Accurate spectral fits are obtained in the presence of overlapping spectra.

  20. Hindering effects in diffusion of CO2/CH4 mixtures in ZIF-8 crystals...

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

    Hindering effects in diffusion of CO2CH4 mixtures in ZIF-8 crystals Previous Next List C. Chmelik, J. van Baten, and R. Krishna, J. Membr. Sci. 397, 87 (2012) DOI: 10.1016...

  1. On the nature of the molecular ordering of water in aqueous DMSO mixtures

    SciTech Connect (OSTI)

    Perera, Aurélien; Mazighi, Redha

    2015-10-21

    Computer simulation studies of aqueous dimethyl sulfoxyde (DMSO) mixtures show micro-heterogeneous structures, just like aqueous alcohol mixtures. However, there is a marked difference in the aggregate structure of water between the two types of systems. While water molecules form multiconnected globular clusters in alcohols, we report herein that the typical water aggregates in aqueous DMSO mixtures are linear, favouring a 2 hydrogen bond structure per water molecule, and for all DMSO mole fractions ranging from 0.1 to 0.9. This linear-aggregate structure produces a particular signature in the water site-site structure factors, in the form of a pre-peak at k ≈ 0.2–0.8 Å{sup −1}, depending on DMSO concentration. This pre-peak is either absent in other aqueous mixtures, such as aqueous methanol mixtures, or very difficult to see through computer simulations, such as in aqueous-t-butanol mixtures. This difference in the topology of the aggregates explains why the Kirkwood-Buff integrals of aqueous-DMSO mixture look nearly ideal, in contrast with those of aqueous alcohol mixtures, suggesting a connection between the shape of the water aggregates, its fluctuations, and the concentration fluctuations. In order to further study this discrepancy between aqueous DMSO and aqueous alcohol mixture, two models of pseudo-DMSO are introduced, where the size of the sulfur atom is increased by a factor 1.6 and 1.7, respectively, hence increasing the hydrophobicity of the molecule. The study shows that these mixtures become closer to the emulsion type seen in aqueous alcohol mixtures, with more globular clustering of the water molecules, long range domain oscillations in the water-water correlations and increased water-water Kirkwood-Buff integrals. It demonstrates that the local ordering of the water molecules is influenced by the nature of the solute molecules, with very different consequences for structural properties and related thermodynamic quantities. This study

  2. Sequestration of CO2 in Mixtures of Bauxite Residue and Saline Wastewater

    SciTech Connect (OSTI)

    Dilmore, Robert; Lu, Peng; Allen, Douglas; Soong, Yee; Hedges, Sheila; Fu, Jaw K.; Dobbs, Charles L.; Degalbo, Angelo; Zhu, Chen

    2008-01-01

    Experiments were conducted to explore the concept of beneficially utilizing mixtures of caustic bauxite residue slurry (pH 13) and produced oil-field brine to sequester carbon dioxide from flue gas generated from industrial point sources. Data presented herein provide a preliminary assessment of the overall feasibility of this treatment concept. The Carbonation capacity of bauxite residue/brine mixtures was considered over the full range of reactant mixture combinations in 10% increments by volume. A bauxite residue/brine mixture of 90/10 by volume exhibited a CO2 sequestration capacity of greater than 9.5 g/L when exposed to pure CO2 at 20 C and 0.689 MPa (100 psig). Dawsonite and calcite formation were predicted to be the dominant products of bauxite/brine mixture carbonation. It is demonstrated that CO2 sequestration is augmented by adding bauxite residue as a caustic agent to acidic brine solutions and that trapping is accomplished through both mineralization and solubilization. The product mixture solution was, in nearly all mixtures, neutralized following carbonation. However, in samples (bauxite residue/brine mixture of 90/10 by volume) containing bauxite residue solids, the pH was observed to gradually increase to as high as 9.7 after aging for 33 days, suggesting that the CO2 sequestration capacity of the samples increases with aging. Our geochemical models generally predicted the experimental results of carbon sequestration capacities and solution pH.

  3. Mass transport properties of Pu/DT mixtures from orbital free molecular dynamics simulations

    SciTech Connect (OSTI)

    Kress, Joel David; Ticknor, Christopher; Collins, Lee A.

    2015-09-16

    Mass transport properties (shear viscosity and diffusion coefficients) for Pu/DT mixtures were calculated with Orbital Free Molecular Dynamics (OFMD). The results were fitted to simple functions of mass density (for ρ=10.4 to 62.4 g/cm3) and temperature (for T=100 up to 3,000 eV) for Pu/DT mixtures consisting of 100/0, 25/75, 50/50, and 75/25 by number.

  4. Mixture Formation in a Light-Duty Diesel Engine | Department of Energy

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

    Mixture Formation in a Light-Duty Diesel Engine Mixture Formation in a Light-Duty Diesel Engine Presents quantitative measurements of evolution of in-cylinder equivalence ratio distributions in a light-duty engine where wall interactions and strong swirl are significant deer12_miles.pdf (4.42 MB) More Documents & Publications Low-Temperature Automotive Diesel Combustion Light-Duty Diesel Combustion Vehicle Technologies Office Merit Review 2014: Light-Duty Diesel Combuston

  5. Sequestration of CO2 in Mixtures of Bauxite Residue and Saline Wastewater

    SciTech Connect (OSTI)

    Dilmore, Robert; Lu, Peng; Allen, Douglas; Soong, Yee; Hedges, Sheila; Fu, Jaw K.; Dobbs, Charles L.; Degalbo, Angelo; Zhu, Chen

    2008-01-01

    Experiments were conducted to explore the concept of beneficially utilizing mixtures of caustic bauxite residue slurry (pH 13) and produced oil-field brine to sequester carbon dioxide from flue gas generated from industrial point sources. Data presented herein provide a preliminary assessment of the overall feasibility of this treatment concept. The Carbonation capacity of bauxite residue/brine mixtures was considered over the full range of reactant mixture combinations in 10% increments by volume. A bauxite residue/brine mixture of 90/10 by volume exhibited a CO2 sequestration capacity of greater than 9.5 g/L when exposed to pure CO2 at 20º C and 0.689 MPa (100 psig). Dawsonite and calcite formation were predicted to be the dominant products of bauxite/brine mixture carbonation. It is demonstrated that CO2 sequestration is augmented by adding bauxite residue as a caustic agent to acidic brine solutions and that trapping is accomplished through both mineralization and solubilization. The product mixture solution was, in nearly all mixtures, neutralized following carbonation. However, in samples (bauxite residue/brine mixture of 90/10 by volume) containing bauxite residue solids, the pH was observed to gradually increase to as high as 9.7 after aging for 33 days, suggesting that the CO2 sequestration capacity of the samples increases with aging. Our geochemical models generally predicted the experimental results of carbon sequestration capacities and solution pH.

  6. Chemical contaminants on DOE lands and selection of contaminant mixtures for subsurface science research

    SciTech Connect (OSTI)

    Riley, R.G.; Zachara, J.M. )

    1992-04-01

    This report identifies individual contaminants and contaminant mixtures that have been measured in the ground at 91 waste sites at 18 US Department of Energy (DOE) facilities within the weapons complex. The inventory of chemicals and mixtures was used to identify generic chemical mixtures to be used by DOE's Subsurface Science Program in basic research on the subsurface geochemical and microbiological behavior of mixed contaminants (DOE 1990a and b). The generic mixtures contain specific radionuclides, metals, organic ligands, organic solvents, fuel hydrocarbons, and polychlorinated biphenyls (PCBs) in various binary and ternary combinations. The mixtures are representative of in-ground contaminant associations at DOE facilities that are likely to exhibit complex geochemical behavior as a result of intercontaminant reactions and/or microbiologic activity stimulated by organic substances. Use of the generic mixtures will focus research on important mixed contaminants that are likely to be long-term problems at DOE sites and that will require cleanup or remediation. The report provides information on the frequency of associations among different chemicals and compound classes at DOE waste sites that require remediation.

  7. Low energy consumption method for separating gaseous mixtures and in particular for medium purity oxygen production

    DOE Patents [OSTI]

    Jujasz, Albert J.; Burkhart, James A.; Greenberg, Ralph

    1988-01-01

    A method for the separation of gaseous mixtures such as air and for producing medium purity oxygen, comprising compressing the gaseous mixture in a first compressor to about 3.9-4.1 atmospheres pressure, passing said compressed gaseous mixture in heat exchange relationship with sub-ambient temperature gaseous nitrogen, dividing the cooled, pressurized gaseous mixture into first and second streams, introducing the first stream into the high pressure chamber of a double rectification column, separating the gaseous mixture in the rectification column into a liquid oxygen-enriched stream and a gaseous nitrogen stream and supplying the gaseous nitrogen stream for cooling the compressed gaseous mixture, removing the liquid oxygen-enriched stream from the low pressure chamber of the rectification column and pumping the liquid, oxygen-enriched steam to a predetermined pressure, cooling the second stream, condensing the cooled second stream and evaporating the oxygen-enriched stream in an evaporator-condenser, delivering the condensed second stream to the high pressure chamber of the rectification column, and heating the oxygen-enriched stream and blending the oxygen-enriched stream with a compressed blend-air stream to the desired oxygen concentration.

  8. Effect of silane concentration on the supersonic combustion of a silane/methane mixture

    SciTech Connect (OSTI)

    Northam, G.B.; Mc Lain, A.G.; Pellett, G.L.; Diskin, G.S.

    1986-01-01

    A series of direct connect combustor tests was conducted to determine the effect of silane concentration on the supersonic combustion characteristics of silane/methane mixtures. Shock tube ignition delay data indicated more than an order of magnitude reduction in ignition delay times for both 10 and 20 percent silane/methane mixtures as compared to methane. The ignition delay time of the 10 percent mixture was only a factor of 2.3 greater than that of the 20 percent mixture. Supersonic combustion tests were conducted with the fuel injected into a model scramjet combustor. The combustor was mounted at the exit of a Mach 2 nozzle and a hydrogen fired heater was used to provide a variation in test gas total temperature. Tests using the 20 percent silane/methane mixture indicated considerable combustion enhancement when compared to methane alone. This mixture had an autoignition total temperature of 1650 R. The addition of 20 percent silane to methane resulted in a pyrophoric fuel with good supersonic combustion performance. Reducing the silane concentration below this level, however, yielded a less pyrophoric fuel that exhibited poor supersonic combustion performance.

  9. Gene expression profiles in rainbow trout, Onchorynchus mykiss, exposed to a simple chemical mixture.

    SciTech Connect (OSTI)

    Hook, Sharon E.; Skillman, Ann D.; Gopalan, Banu; Small, Jack A.; Schultz, Irvin R.

    2008-03-01

    Among proposed uses for microarrays in environmental toxiciology is the identification of key contributors to toxicity within a mixture. However, it remains uncertain whether the transcriptomic profiles resulting from exposure to a mixture have patterns of altered gene expression that contain identifiable contributions from each toxicant component. We exposed isogenic rainbow trout Onchorynchus mykiss, to sublethal levels of ethynylestradiol, 2,2,4,4 tetrabromodiphenyl ether, and chromium VI or to a mixture of all three toxicants Fluorescently labeled cDNA were generated and hybridized against a commercially available Salmonid array spotted with 16,000 cDNAs. Data were analyzed using ANOVA (p < 0.05) with a Benjamani-Hochberg multiple test correction (Genespring (Agilent) software package) to identify up and down regulated genes. Gene clustering patterns that can be used as “expression signatures” were determined using hierarchical cluster analysis. The gene ontology terms associated with significantly altered genes were also used to identify functional groups that were associated with toxicant exposure. Cross-ontological analytics (XOA) approach was used to assign functional annotations to genes with "unknown" function. Our analysis indicates that transcriptomic profiles resulting from the mixture exposure resemble those of the individual contaminant exposures, but are not a simple additive list. However, patterns of altered genes representative of each component of the mixture are clearly discernible, and the functional classes of genes altered represent the individual components of the mixture. These findings indicate that the use of microarrays to identify transcriptomic profiles may aid in the identification of key stressors within a chemical mixture, ultimately improving environmental assessment.

  10. Construction of an embankment with a fly and bottom ash mixture: field performance study

    SciTech Connect (OSTI)

    Yoon, S.; Balunaini, U.; Yildirim, I.Z.; Prezzi, M.; Siddiki, N.Z.

    2009-06-15

    Fly ash and bottom ash are coal combustion by-products (CCBPs) that are generated in large quantities throughout the world. It is often economical to dispose ash as mixtures rather than separately; that notwithstanding, only a few studies have been performed to investigate the behavior of fly and bottom ash mixtures, particularly those with high contents of fly ash. Also, there is very limited data available in the literature on the field performance of structures constructed using ash mixtures. This paper describes the construction and the instrumentation of a demonstration embankment built with an ash mixture (60:40 by weight of fly ash:bottom ash) on State Road 641, Terre Haute, Ind. Monitoring of the demonstration embankment was conducted for a period of 1 year from the start of construction of the embankment. The settlement of the embankment stabilized approximately 5 months after the end of its construction. According to horizontal inclinometer readings, the differential settlement at the top of the embankment is about 5 mm. Results from field quality control tests performed during construction of the demonstration embankment and monitoring data from vertical and horizontal inclinometers and settlement plates indicate that the ash mixture investigated can be considered an acceptable embankment construction material.

  11. Rate of reaction of hydrogen sulfide-carbonyl sulfide mixtures with fully calcined dolomite

    SciTech Connect (OSTI)

    Kamath, V.S.; Petrie, T.W.

    1981-01-01

    Kinetic data are obtained by a gravimetric technique for rates of reaction of calcium oxide in fully calcined dolomite with hydrogen sulfide and hydrogen sulfide-carbonyl sulfide mixtures. The data are presented as values for a factor k defined by d(CAO) = -k (CAO) dt. At 600, 700, and 800 degrees C with (H/sub 2/S) from 0.5% to 5.0% by volume and (H/sub 2/S)/(COS) = 20 for mixtures, expressions for k show apparent rate constants and the dependence on sulfurous gas concentration. For example, at 700 degrees C, k = 1.43 x 10/sup -4/ (h2s) 1.06/S and k = 1.70 x 10/sup -4/ (H/sub 2/S + COS) 1.00/s. Since the date show first-order dependence on calcium oxide, k's for H/sub 2/S alone as the sulfurous gas and h2s-cos mixtures can be obtained for the same sample, free from scatter due to variations from sample to sample. Addition of values for k from runs with H/sub 2/S as the only sulfurous gas and runs with COS as the only sulfurous gas are compared to measurements with actual mixtures. K's for the mixtures are approximately 30% higher than the sum of the appropriate separate values.

  12. Transesterification of waste vegetable oil under pulse sonication using ethanol, methanol and ethanol–methanol mixtures

    SciTech Connect (OSTI)

    Martinez-Guerra, Edith; Gude, Veera Gnaneswar

    2014-12-15

    Highlights: • Pulse sonication effect on transesterification of waste vegetable oil was studied. • Effects of ethanol, methanol, and alcohol mixtures on FAMEs yield were evaluated. • Effect of ultrasonic intensity, power density, and its output rates were evaluated. • Alcohol mixtures resulted in higher biodiesel yields due to better solubility. - Abstract: This study reports on the effects of direct pulse sonication and the type of alcohol (methanol and ethanol) on the transesterification reaction of waste vegetable oil without any external heating or mechanical mixing. Biodiesel yields and optimum process conditions for the transesterification reaction involving ethanol, methanol, and ethanol–methanol mixtures were evaluated. The effects of ultrasonic power densities (by varying sample volumes), power output rates (in W), and ultrasonic intensities (by varying the reactor size) were studied for transesterification reaction with ethanol, methanol and ethanol–methanol (50%-50%) mixtures. The optimum process conditions for ethanol or methanol based transesterification reaction of waste vegetable oil were determined as: 9:1 alcohol to oil ratio, 1% wt. catalyst amount, 1–2 min reaction time at a power output rate between 75 and 150 W. It was shown that the transesterification reactions using ethanol–methanol mixtures resulted in biodiesel yields as high as >99% at lower power density and ultrasound intensity when compared to ethanol or methanol based transesterification reactions.

  13. High-temperature oxidation of Zircaloy in hydrogen-steam mixtures. [PWR; BWR

    SciTech Connect (OSTI)

    Chung, H.M.; Thomas, G.R.

    1982-09-01

    Oxidation rates of Zircaloy-4 cladding tubes have been measured in hydrogen-steam mixtures at 1200 to 1700/sup 0/C. For a given isothermal oxidation temperature, the oxide layer thicknesses have been measured as a function of time, steam supply rate, and hydrogen overpressure. The oxidation rates in the mixtures were compared with similar data obtained in pure steam and helium-steam environments under otherwise identical conditions. The rates in pure steam and helium-steam mixtures were equivalent and comparable to the parabolic rates obtained under steam-saturated conditions and reported in the literature. However, when the helium was replaced with hydrogen of equivalent partial pressure, a significantly smaller oxidation rate was observed. For high steam-supply rates, the oxidation kinetics in a hydrogen-steam mixture were parabolic, but the rate was smaller than for pure steam or helium-steam mixtures. Under otherwise identical conditions, the ratio of the parabolic rate for hydrogen-steam to that for pure steam decreased with increasing temperature and decreasing steam-supply rate.

  14. Device for measuring the fluid density of a two-phase mixture

    DOE Patents [OSTI]

    Cole, Jack H.

    1980-01-01

    A device for measuring the fluid density of a two-phase mixture flowing through a tubular member. A rotor assembly is rotatively supported within the tubular member so that it can also move axially within the tubular member. The rotor assembly is balanced against a pair of springs which exert an axial force in the opposite direction upon the rotor assembly. As a two-phase mixture flows through the tubular member it contacts the rotor assembly causing it to rotate about its axis. The rotor assembly is forced against and partially compresses the springs. Means are provided to measure the rotational speed of the rotor assembly and the linear displacement of the rotor assembly. From these measurements the fluid density of the two-phase mixture is calculated.

  15. Apparatus and method for operating internal combustion engines from variable mixtures of gaseous fuels

    DOE Patents [OSTI]

    Heffel, James W.; Scott, Paul B.; Park, Chan Seung

    2011-11-01

    An apparatus and method for utilizing any arbitrary mixture ratio of multiple fuel gases having differing combustion characteristics, such as natural gas and hydrogen gas, within an internal combustion engine. The gaseous fuel composition ratio is first sensed, such as by thermal conductivity, infrared signature, sound propagation speed, or equivalent mixture differentiation mechanisms and combinations thereof which are utilized as input(s) to a "multiple map" engine control module which modulates selected operating parameters of the engine, such as fuel injection and ignition timing, in response to the proportions of fuel gases available so that the engine operates correctly and at high efficiency irrespective of the gas mixture ratio being utilized. As a result, an engine configured according to the teachings of the present invention may be fueled from at least two different fuel sources without admixing constraints.

  16. Laboratory flammability studies of mixtures of hydrogen, nitrous oxide, and air

    SciTech Connect (OSTI)

    Cashdollar, K L; Hertzberg, M; Zlochower, I A; Lucci, C E; Green, G M; Thomas, R A

    1992-06-26

    At the request of the Department of Energy and the Westinghouse Hanford Company, the Bureau of Mines has investigated the flammability of mixtures of hydrogen, nitrous oxide, and air. This work is relevant to the possible hazards of flammable gas generation from nuclear waste tanks at Hanford, WA. The tests were performed in a 120-L spherical chamber under both quiescent and turbulent conditions using both electric spark and pyrotechnic ignition sources. The data reported here for binary mixtures of hydrogen in air generally confirm the data of previous investigators, but they are more comprehensive than those reported previously. The results clarify to a greater extent the complications associated with buoyancy, turbulence, and selective diffusion. The data reported here for ternary mixtures of hydrogen and nitrous oxide in air indicate that small additions of nitrous oxide (relative to the amount of air) have little effect, but that higher concentrations of nitrous oxide (relative to air) significantly increase the explosion hazard.

  17. Apparatus and method for operating internal combustion engines from variable mixtures of gaseous fuels

    DOE Patents [OSTI]

    Heffel, James W.; Scott, Paul B.

    2003-09-02

    An apparatus and method for utilizing any arbitrary mixture ratio of multiple fuel gases having differing combustion characteristics, such as natural gas and hydrogen gas, within an internal combustion engine. The gaseous fuel composition ratio is first sensed, such as by thermal conductivity, infrared signature, sound propagation speed, or equivalent mixture differentiation mechanisms and combinations thereof which are utilized as input(s) to a "multiple map" engine control module which modulates selected operating parameters of the engine, such as fuel injection and ignition timing, in response to the proportions of fuel gases available so that the engine operates correctly and at high efficiency irrespective of the gas mixture ratio being utilized. As a result, an engine configured according to the teachings of the present invention may be fueled from at least two different fuel sources without admixing constraints.

  18. Geotechnical properties of fly and bottom ash mixtures for use in highway embankments

    SciTech Connect (OSTI)

    Kim, B.; Prezzi, M.; Salgado, R.

    2005-07-01

    Class F fly ash and bottom ash are the solid residue byproducts produced by coal-burning electric utilities. They are usually disposed of together as a waste in utility disposal sites with a typical disposal rate of 80% fly ash and 20% bottom ash. Direct use of these materials in construction projects consuming large volumes of materials, such as highway embankment construction, not only provides a promising solution to the disposal problem, but also an economic alternative to the use of traditional materials. Representative samples of class F fly and bottom ash were collected from two utility power plants in Indiana and tested for their mechanical properties (compaction, permeability, strength, stiffness, and compressibility). Three mixtures of fly and bottom ash with different mixture ratios (i.e., 50, 75, and 100% fly ash content by weight) were prepared for testing. Test results indicated that ash mixtures compare favorably with conventional granular materials.

  19. Mechanistic aspects of shock-induced reactions in Ni+Al powder mixtures

    SciTech Connect (OSTI)

    Eakins, Daniel E.; Thadhani, Naresh N.

    2007-12-12

    A combination of parallel-plate impact experiments utilizing stress measurements and mesoscale numerical simulations are used to investigate the effect of particle morphology on the mechanical and chemical response of Ni+Al powder mixtures. The instrumented gas-gun impact experiments were performed at pressures up to 6 GPa. Based on measured shock velocity increases and shock compressibility changes consistent with the Ballotechnic model, the flake-based powder mixture was found to exhibit shock-induced reaction. The particle-level mechanistic details of deformation, mass-flow, and mixing, were explored through discrete particle continuum simulations, validated against the experimental results. The micron-scale spherical and flake mixtures were found to display widely varying configurational changes at several length scales, which give insight into why the flake-Ni morphology is more susceptible to shock-induced reactions under the imposed conditions.

  20. Parametric performance analysis of OTEC system using HFC32/HFC134a mixtures

    SciTech Connect (OSTI)

    Uehara, Haruo; Ikegami, Yasuyuki

    1995-11-01

    Parametric performance analysis is performed on an Ocean Thermal Energy Conversion (OTEC) system using HFC32/HFC134a mixtures as working fluid. The analyzed OTEC system uses the Kalina cycle. The parameters in the performance analysis consist of the warm sea water inlet temperature, the cold sea water inlet temperature, the heat transfer performance of the evaporator, condenser and regenerator, the turbine inlet pressure, the turbine inlet temperature, the molar fraction of HFC32. Effects of these various parameters on the efficiency of the Kalina cycle using HFC32/HFC134a mixtures are clarified by using this analysis, and compared with calculation results using ammonia/water mixtures as working fluid. The thermal efficiency of OTEC system using the Kalina cycle can reach up to about 5 percent with an inlet warm sea water temperature of 28 C and an inlet cold sea water temperature of 4 C.

  1. An on-line acoustic fluorocarbon coolant mixture analyzer for the ATLAS silicon tracker

    SciTech Connect (OSTI)

    Bates, R.; Battistin, M.; Berry, S.; Bitadze, A.; Bonneau, P.; Bousson, N.; Boyd, G.; Botelho-Direito, J.; DiGirolamo, B.; Doubek, M.; Egorov, K.; Godlewski, J.; Hallewell, G.; Katunin, S.; Mathieu, M.; McMahon, S.; Nagai, K.; Perez-Rodriguez, E.; Rozanov, A.; Vacek, V.; Vitek, M.

    2011-07-01

    The ATLAS silicon tracker community foresees an upgrade from the present octafluoro-propane (C{sub 3}F{sub 8}) evaporative cooling fluid - to a composite fluid with a probable 10-20% admixture of hexafluoro-ethane (C{sub 2}F{sub 6}). Such a fluid will allow a lower evaporation temperature and will afford the tracker silicon substrates a better safety margin against leakage current-induced thermal runaway caused by cumulative radiation damage as the luminosity profile at the CERN Large Hadron Collider increases. Central to the use of this new fluid is a new custom-developed speed-of-sound instrument for continuous real-time measurement of the C{sub 3}F{sub 8}/C{sub 2}F{sub 6} mixture ratio and flow. An acoustic vapour mixture analyzer/flow meter with new custom electronics allowing ultrasonic frequency transmission through gas mixtures has been developed for this application. Synchronous with the emission of an ultrasound 'chirp' from an acoustic transmitter, a fast readout clock (40 MHz) is started. The clock is stopped on receipt of an above threshold sound pulse at the receiver. Sound is alternately transmitted parallel and anti-parallel with the vapour flow for volume flow measurement from transducers that can serve as acoustic transmitters or receivers. In the development version, continuous real-time measurement of C{sub 3}F{sub 8}/C{sub 2}F{sub 6} flow and calculation of the mixture ratio is performed within a graphical user interface developed in PVSS-II, the Supervisory, Control and Data Acquisition standard chosen for LHC and its experiments at CERN. The described instrument has numerous potential applications - including refrigerant leak detection, the analysis of hydrocarbons, vapour mixtures for semiconductor manufacture and anesthetic gas mixtures. (authors)

  2. Selective Adsorption of CO2 from Light Gas Mixtures Using a Structurally Dynamic Porous Coordination Polymer**

    SciTech Connect (OSTI)

    Kristi L. Kauffman, Jeffrey T. Culp, Andrew J. Allen, Laura Espinal, Winnie Wong-Ng, Thomas D. Brown, Angela Goodman, Mark P. Bernardo, Russel J. Pancoast, Danielle Chirdon, Christopher Matranga*

    2010-01-01

    The selective adsorption of CO{sub 2} from mixtures with N{sub 2}, CH{sub 4}, and N{sub 2}O in a dynamic porous coordination polymer (see monomer structure) was evaluated by ATR-FTIR spectroscopy, GC, and SANS. All three techniques indicate highly selective adsorption of CO{sub 2} from CO{sub 2}/CH{sub 4} and CO{sub 2}/N{sub 2} mixtures at 30 C, with no selectivity observed for the CO{sub 2}/N{sub 2}O system.

  3. In-pore exchange and diffusion of carbonate solvent mixtures in nanoporous carbon

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

    Alam, Todd M.; Osborn Popp, Thomas M.

    2016-06-04

    High resolution magic angle spinning (HRMAS) 1H NMR spectroscopy has been used to resolve different surface and in-pore solvent environments of ethylene carbonate (EC) and dimethyl carbonate (DMC) mixtures absorbed within nanoporous carbon (NPC). Two dimensional (2D) 1H HRMAS NMR exchange measurements revealed that the inhomogeneous broadened in-pore resonances have pore-to-pore exchange rates on the millisecond timescale. Pulsed-field gradient (PFG) NMR diffusometry revealed the in-pore self-diffusion constants for both EC and DMC were reduced by up to a factor of five with respect to the diffusion in the non-absorbed solvent mixtures.

  4. Mixture for producing fracture-resistant, fiber-reinforced ceramic material by microwave heating

    DOE Patents [OSTI]

    Meek, T.T.; Blake, R.D.

    1987-09-22

    A fracture-resistant, fiber-reinforced ceramic substrate is produced by a method which involves preparing a ceramic precursor mixture comprising glass material, a coupling agent, and resilient fibers, and then exposing the mixture to microwave energy. The microwave field orients the fibers in the resulting ceramic material in a desired pattern wherein heat later generated in or on the substrate can be dissipated in a desired geometric pattern parallel to the fiber pattern. Additionally, the shunt capacitance of the fracture-resistant, fiber-reinforced ceramic substrate is lower which provides for a quicker transit time for electronic pulses in any conducting pathway etched into the ceramic substrate. 2 figs.

  5. Selective removal of carbonyl sulfide from a hydrogen sulfide containing gas mixture

    SciTech Connect (OSTI)

    Souby, M.C.

    1990-12-25

    This patent describes a process for the selective removal of carbonyl sulfide from a gas mixture also comprising hydrogen sulfide. It comprises contacting the gas mixture with an absorbent comprising from about 35% w to about 55% w of a tertiary amine; from about 5% w to about 15% w of water, and the balance being a physical co-solvent; regenerating the loaded absorbent to remove substantially all of the carbonyl sulfide and most of the hydrogen sulfide to provide a lean absorbent containing hydrogen sulfide in an amount of 0.2% w to 2% w; and recycling the lean absorbent to the contacting step.

  6. Study of a water-to-water heat pump using hydrocarbon and hydrofluorocarbon zeotropic mixtures

    SciTech Connect (OSTI)

    Payne, W.V.; Domanski, P.A.; Muller, J.

    1999-05-01

    This investigation compared the performance of R22 to the performance of propane (R290) and zeotropic mixtures of HFC's and hydrocarbons in a water-to-water heat pump. Baseline testing began with R22 and proceeded to R290, R32/290, R32/152a, and R290/600a. The use of brazed plate heat exchangers arranged in counterflow for both heating and cooling allowed glide matching using the zeotropic refrigerant mixtures. The performance of the system was characterized by air-side capacity, air-side Coefficient of Performance (COP), compressor RPM, and refrigerant conditions.

  7. Mixture for producing fracture-resistant, fiber-reinforced ceramic material by microwave heating

    DOE Patents [OSTI]

    Meek, T.T.; Blake, R.D.

    1985-04-03

    A fracture-resistant, fiber-reinforced ceramic substrate is produced by a method which involves preparing a ceramic precursor mixture comprising glass material, a coupling agent, and resilient fibers, and then exposing the mixture to microwave energy. The microwave field orients the fibers in the resulting ceramic material in a desired pattern wherein heat later generated in or on the substrate can be dissipated in a desired geometric pattern parallel to the fiber pattern. Additionally, the shunt capacitance of the fracture-resistant, fiber-reinforced ceramic substrate is lower which provides for a quicker transit time for electronic pulses in any conducting pathway etched into the ceramic substrate.

  8. Mixture for producing fracture-resistant, fiber-reinforced ceramic material by microwave heating

    DOE Patents [OSTI]

    Meek, Thomas T.; Blake, Rodger D.

    1987-01-01

    A fracture-resistant, fiber-reinforced ceramic substrate is produced by a method which involves preparing a ceramic precursor mixture comprising glass material, a coupling agent, and resilient fibers, and then exposing the mixture to microwave energy. The microwave field orients the fibers in the resulting ceramic material in a desired pattern wherein heat later generated in or on the substrate can be dissipated in a desired geometric pattern parallel to the fiber pattern. Additionally, the shunt capacitance of the fracture-resistant, fiber-reinforced ceramic substrate is lower which provides for a quicker transit time for electronic pulses in any conducting pathway etched into the ceramic substrate.

  9. New 'Design Rule' Paves Way for Nature-Inspired Nanostructures

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

    The scientists discovered a design rule that enables a recently created material to exist. ... The design rule controls the way in which polymers adjoin to form the backbones that run ...

  10. Standards Pave the Way for Next Generation Workplace Charging...

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

    E2 BrandMfg Key 16 BTC Power E2 17 CMI-EVSE LLC E2 18 Keba E2 19 Telefonix E2 20 Tesla Motors-Adapter E2 21 Chargepoint O1 22 ClipperCreek O1 23 DBT O1 24 SemaConnect O1 25 ...

  11. Metal Oxide Semiconductor Nanoparticles Pave the Way for Medical...

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

    Argonne National Laboratory Contact ANL About This Technology

    Titanium dioxide ... Titanium dioxide nanocomposites "locate and destroy" defective cell lines using the white ...

  12. Standards Pave the Way for Next Generation Workplace Charging...

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

    11182014 2012 11 3G4G 3G4G 3G4G & WIFI 3G4G Parking Structure 3 Level 1 110 V x4 Parking Structure 8 Level 1 110 V Level 2 208 V Level 1 (UCLA Fleet) x4...

  13. Iron-based Material Paves Way for New Superconductors

    Office of Energy Efficiency and Renewable Energy (EERE)

    When chilled to frigid temperatures hundreds of degrees Celsius below zero, these remarkable materials are singularly capable of perfectly conducting electric current.

  14. Paving the Way to Nanoelectronics 16 nm and Smaller

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

    will no longer be feasible. Extreme ultraviolet (EUV) lithography, utilizing reflective optics and 13-nm-wavelength light to print chips, is the leading candidate to meet the...

  15. Fuel Cell Electric Vehicles: Paving the Way to Commercial Success...

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

    Powered by a fuel cell system with light-weight, high-pressure hydrogen tanks, an electric motor, a ... Automakers have made steady progress reducing the cost and ...

  16. Paving the Way to Nanoelectronics 16 nm and Smaller

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

    ... beyond 22-nm half pitch," Proc. SPIE 7636, 76361J (2010); P. Naulleau, C. ... resist and mask materials learning," Proc. SPIE 7985, 798509 (2011). ALS Science Highlight ...

  17. Paving the way: The use of solar energy in China

    SciTech Connect (OSTI)

    Gabler, H. )

    1990-12-01

    Major roads in China, although never intended for today's heavy traffic, have been greatly abetted by Shao Shu Ren's method of solar tar preparation. Ren's method uses simple techniques. A solar melter is a passive component which requires little maintenance apart from regular cleaning. Many skilled workers know how to operate an electric-heating system. Electric heat considerably reduces the danger of fire that is always present when working with tar near an open flame. Finally, the implementing of this process trains people to work with solar energy, demonstrates its practical use, and may point the way to the application of solar energy in other spheres of production.

  18. New Technology Paves Way for Highly Sensitive Photodetectors...

    Office of Science (SC) Website

    But with size comes cost. A large detector often means a large volume filled with, for example, tons of water or liquid argon. Around this must be an array of hundreds and often ...

  19. Paving the Way to Nanoelectronics 16 nm and Smaller

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

    N. Smith, G. Jones, and S. Rekawa (Berkeley Lab); B. Rice, S. Wurm, C. Koh, and W. Montgomery (SEMATECH); B. McClinton and R. Miyakawa (University of California, Berkeley); and...

  20. Paving the Way to Nanoelectronics 16 nm and Smaller

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

    Science Highlight Investigating Extreme Ultraviolet Lithography Mask Defects), and the development of ultrahigh-resolution photoresist-a light-sensitive material used to form a...

  1. Ghana-Paving the Way for Low Carbon Development Strategies |...

    Open Energy Info (EERE)

    Overview The projects has three main goals: to provide input for a general methodology for developing Low Carbon Development Strategies to contribute to knowledge, mutual...

  2. Indonesia-Paving the Way for Low Carbon Development Strategies...

    Open Energy Info (EERE)

    Overview The projects has three main goals: to provide input for a general methodology for developing Low Carbon Development Strategies to contribute to knowledge, mutual...

  3. Paving the Way to Nanoelectronics 16 nm and Smaller

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

    the film does not rely on thermal chemical amplification, thereby reducing diffusion and image blur during post-exposure processing. The downside of the lack of chemical...

  4. Paving the Way to Nanoelectronics 16 nm and Smaller

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

    at ALS Beamline 12.0.1.3, advanced EUV photoresist research can be performed while high-power stand-alone light sources are still being developed. High-quality 16-nm lines and...

  5. DOE Signing Paves the Way for Funding, Construction of Innovative...

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

    that clears the path for construction of a 569-million, 285-megawatt coal-fired power plant that will be one of the cleanest, most efficient plants of its kind in the world. ...

  6. Department of Energy Paves Way for Additional Clean Energy Projects...

    Office of Environmental Management (EM)

    gas emissions and help increase employment in the nation's green manufacturing sector, which is part of the Administration's long-term plan to create new green energy jobs. ...

  7. Properties of steady discharge in Ar-Kr-F2 gas mixture

    SciTech Connect (OSTI)

    Chengen, Z.

    1981-11-01

    Some properties of Ar-Kr-F/sub 2/ laser gas mixture plasma under steady discharge conditions are computed and discussed. Both the excitation rate of the discharging electrons and the distribution of the discharge energy are discussed. The effects of fluoride gas content and impurity gas content on the discharge property are studied.

  8. Development and evaluation of coal/water mixture combustion technology. Final report

    SciTech Connect (OSTI)

    Scheffee, R.S.; Rossmeissl, N.P.; Skolnik, E.G.; McHale, E.T.

    1981-08-01

    The objective was to advance the technology for the preparation, storage, handling and combustion of highly-loaded coal/water mixtures. A systematic program to prepare and experimentally evaluate coal/water mixtures was conducted to develop mixtures which (1) burn efficiently using combustion chambers and burners designed for oil, (2) can be provided at a cost less than that of No. 6 oil, and (3) can be easily transported and stored. The program consisted of three principal tasks. The first was a literature survey relevant to coal/water mixture technology. The second involved slurry preparation and evaluation of rheological and stability properties, and processing techniques. The third consisted of combustion tests to characterize equipment and slurry parameters. The first task comprised a complete search of the literature, results of which are tabulated in Appendix A. Task 2 was involved with the evaluation of composition and process variables on slurry rheology and stability. Three bituminous coals, representing a range of values of volatile content, ash content, and hardness were used in the slurries. Task 3 was concerned with the combustion behavior of coal/water slurry. The studies involved first upgrading of an experimental furnace facility, which was used to burn slurry fuels, with emphasis on studying the effect on combustion of slurry properties such as viscosity and particle size, and the effect of equipment parameters such as secondary air preheat and atomization.

  9. Growth Kinetics and Modeling of Direct Oxynitride Growth with NO-O2 Gas Mixtures

    SciTech Connect (OSTI)

    Everist, Sarah; Nelson, Jerry; Sharangpani, Rahul; Smith, Paul Martin; Tay, Sing-Pin; Thakur, Randhir

    1999-05-03

    We have modeled growth kinetics of oxynitrides grown in NO-O2 gas mixtures from first principles using modified Deal-Grove equations. Retardation of oxygen diffusion through the nitrided dielectric was assumed to be the dominant growth-limiting step. The model was validated against experimentally obtained curves with good agreement. Excellent uniformity, which exceeded expected walues, was observed.

  10. Method of analysis of polymerizable monomeric species in a complex mixture

    DOE Patents [OSTI]

    Hermes, Robert E

    2014-03-18

    Method of selective quantitation of a polymerizable monomeric species in a well spacer fluid, said method comprising the steps of adding at least one solvent having a refractive index of less than about 1.33 to a sample of the complex mixture to produce a solvent phase, and measuring the refractive index of the solvent phase.

  11. Demonstration of Pressurizing Coal/Biomass Mixtures Using Posimetric Solids Pump Technology

    SciTech Connect (OSTI)

    Westendorf, Tiffany; Acharya, Harish; Cui, Zhe; Furman, Anthony; Giammattei, Mark; Rader, Jeff; Vazquez, Arturo

    2012-12-31

    This document is the Final Technical Report for a project supported by U.S. DOE NETL (Contract No. DE-FE0000507), GE Global Research, GE Energy, and Idaho National Laboratory (INL). This report discusses key project accomplishments for the period beginning August 7, 2009 and ending December 31, 2012. In this project, pressurized delivery of coal/biomass mixtures using GE Posimetric* solids pump technology was achieved in pilot scale experiments. Coal/biomass mixtures containing 10-50 wt% biomass were fed against pressures of 65-450 psi. Pressure capability increased with decreasing biomass content for a given pump design, and was linked to the interaction of highly compressible coal/biomass mixtures with the pump outlet design. Biomass pretreatment specifications for particle size and moisture content were defined based on bench-scale flowability, compressibility, friction, and permeability experiments that mimic the behavior of the Posimetric pump. A preliminary economic assessment of biomass pretreatment and pump operation for coal/biomass mixtures (CBMs) was conducted.

  12. Development of Metal/Polymer Mixtures for Micro Powder Injection Moulding

    SciTech Connect (OSTI)

    Quinard, C.; Barriere, T.; Gelin, J. C.

    2007-04-07

    Important research tasks at ENSMM/LMA are concerned for the development of mixtures of Fine powders associated to polymer binders dedicated to the powder injection moulding (PIM) and to the powder injection micro-moulding ({mu}PIM) in accordance with many works already carried out with different feedstock suppliers dedicated to the macro-components.

  13. Measurement of adiabatic burning velocity in natural gas-like mixtures

    SciTech Connect (OSTI)

    Ratna Kishore, V.; Duhan, Nipun; Ravi, M.R.; Ray, Anjan

    2008-10-15

    Experimental measurements of the adiabatic burning velocities were carried out for natural gas-like mixtures burning in air over a range of equivalence ratios at atmospheric pressure. Effect of CO{sub 2} dilution up to 60%, N{sub 2} dilution up to 40% and 25% enrichment of ethane on burning velocity of methane-air flames were studied. Heat flux method with setup similar to that of [K.J. Bosschaart, L.P.H. de Goey, Detailed analysis of the heat flux method for measuring burning velocity, Combustion and Flame 132 (2003) 170-180] was used for measurement of burning velocities. Initially experiments were done for methane-air and ethane-air mixtures at various equivalence ratios and the results were in good agreement with published data in the literature. Computations were performed using PREMIX code with GRI 3.0 reaction mechanism for all the mixtures. Predicted flame structures were used to the explain the effect of N{sub 2} and CO{sub 2} dilution on burning velocity of methane-air flames. Peak burning velocity for CH{sub 4}/CO{sub 2}-air mixtures occur near to {phi} = 1.0. (author)

  14. Method of absorbing UF.sub.6 from gaseous mixtures in alkamine absorbents

    DOE Patents [OSTI]

    Lafferty, Robert H.; Smiley, Seymour H.; Radimer, Kenneth J.

    1976-04-06

    A method of recovering uranium hexafluoride from gaseous mixtures employing as an absorbent a liquid composition at least one of the components of which is chosen from the group consisting of ethanolamine, diethanolamine, and 3-methyl-3-amino-propane-diol-1,2.

  15. Process and installation for purification of the helium contained in a mixture of gas

    SciTech Connect (OSTI)

    Avon, M.F.; Markarian, G.R.

    1984-04-24

    The present invention relates to a process and an installation for purification of the helium contained in a mixture of gas, employing a pre-treatment unit to retain the impurities such as water, carbon dioxide gas and heavy organic compounds, and at least one reactor of the chromatographic type located downstream of said pre-treatment unit, said process comprising the following steps of: (a) adjusting the pressure of the mixture of gas until the working pressure of the phase of adsorption is obtained, this pressure being between 10 and 30 bars, and preferably 12 to 15 bars; (b) taking the temperature of the mixture of gas at the outlet of said pre-treatment unit until it is located in the range -15/sup 0/ C./-35/sup 0/ C., and preferably -25/sup 0/ C.; (c) and sending the mixture of gas into the reactor and passing it through an absorbent, which is constituted by a microporous charcoal whose pores are of dimensions less than or equal to 20 A.

  16. Technical Note: On the proton range and nuclear interactions in compounds and mixtures

    SciTech Connect (OSTI)

    Rasouli, Fatemeh S. Masoudi, S. Farhad; Jette, David

    2015-05-15

    Purpose: Range and probability of nonelastic nuclear interactions (NNIs) for protons can be found only for a limited number of compounds and mixtures in nuclear data tables, and the proton-related analytical studies are therefore restricted to those materials for which the data are provided in these documents. In this paper, the authors present general solutions for calculating the proton range and probability of NNIs for desired compounds and mixtures. Methods: Benefiting from the Bragg–Kleeman approximation of mass stopping power, the authors derive a concise formula for calculating the proton range in materials with arbitrary number of constituent elements. Additionally, the authors propose another relation for obtaining the probability of undergoing NNIs which is suggested to be additive. Results: The examination of the formula presented shows that the authors’ method can be considered as general solutions for analytical evaluation of the range in compounds and mixtures. The formula proposed for probability of NNIs is valid for almost every compound except for those materials containing H. It is shown that this formula can be modified so that it covers these materials. Conclusions: The authors present a general analytical method for calculating the range and probability of NNIs for protons which are mathematically easy to handle and valid for desired compounds or mixtures composed of an arbitrary number of constituent elements, including materials of interest for proton radiotherapy purposes.

  17. Density and viscosity for mixtures of propanoic acid with aromatic hydrocarbons at 298.15 K

    SciTech Connect (OSTI)

    Singh, M.; Gupta, P.C.; Kesharwani, R.N.

    1995-03-01

    The density and viscosity of binary mixtures of propanic acid + benzene, + toluene, and + o-, + m-, and + p-xylenes have been measured at 298.15 K. Excess volumes have been calculated. The interactions existing between the components have been discussed. The results are used to theoretically justify the validity of the viscosity models.

  18. Scintillating Cocktail Mixtures and the Role of Water on the Optophysical Properties.

    SciTech Connect (OSTI)

    Cordaro, Joseph Gabriel; Feng, Patrick L.; Mengesha, Wondwosen; Murtagh, Dustin; Anstey, Mitchell

    2015-10-01

    Two types of water - containing liquid scinti llation mixtures were prepared in the present work. In the first, m ixtures of 2 - phenylethanol, water, diphenyl phosphate, sodium phenyl phosphate dibasic dihydrate, and the dye 2,5 - diphenyloxazole (PPO) have been investigated as liquid scintillators. In th e second system, nonionic and mixed surfactant systems were investigated in conjunction with water and small amounts of toluene. In both cases, increasing amounts of water led to reductions in the scintillation light yield. Understanding what factors contr ibute to this phenomenon is the focus of this report. Changes in the solution microphase structure, diminishing aromatic content of the cocktail mixtures, and inefficient energy transfer to the dye a ppear to be responsible for the decreased light yield as more water is added . In the 2 - phenylethanol system, the observed experimental results are consistent with the formation of a bicontinuous microemulsion at higher water concentrations, which incorporates PPO and shields it from the quenching effects of the increasing polar matrix. Evidence for this proposed phase chan ge c ome s from light scattering data, photo - and x - ray luminescence measurements, and optical transparency measurements . In the surfactant - based system, the quenching effect of water was found to be less than both commercially - available dioxane - naphthalene mixtures used for scintillation counting as well as the 2 - phenylethanol mixtures described above. The effect of different surfactant mixtures and concentrations were studied, revealing a benefic ial effect upon the scintillation light yield for mixed surfactant mixtures. These results are interpreted in the context of r eactive radical species formation following water ionization , which leads to light - yield quenching in aqueous systems . The presenc e of surfactant(s) in these mixtures enables the formation of organic - rich regions that are spatially separated from the

  19. Mechanism-based classification of PAH mixtures to predict carcinogenic potential

    SciTech Connect (OSTI)

    Tilton, Susan C.; Siddens, Lisbeth K.; Krueger, Sharon K.; Larkin, Andrew J.; Löhr, Christiane V.; Williams, David E.; Baird, William M.; Waters, Katrina M.

    2015-04-22

    We have previously shown that relative potency factors and DNA adduct measurements are inadequate for predicting carcinogenicity of certain polycyclic aromatic hydrocarbons (PAHs) and PAH mixtures, particularly those that function through alternate pathways or exhibit greater promotional activity compared to benzo[a]pyrene (BaP). Therefore, we developed a pathway based approach for classification of tumor outcome after dermal exposure to PAH/mixtures. FVB/N mice were exposed to dibenzo[def,p]chrysene (DBC), BaP or environmental PAH mixtures (Mix 1-3) following a two-stage initiation/promotion skin tumor protocol. Resulting tumor incidence could be categorized by carcinogenic potency as DBC>>BaP=Mix2=Mix3>Mix1=Control, based on statistical significance. Gene expression profiles measured in skin of mice collected 12 h post-initiation were compared to tumor outcome for identification of short-term bioactivity profiles. A Bayesian integration model was utilized to identify biological pathways predictive of PAH carcinogenic potential during initiation. Integration of probability matrices from four enriched pathways (p<0.05) for DNA damage, apoptosis, response to chemical stimulus and interferon gamma signaling resulted in the highest classification accuracy with leave-one-out cross validation. This pathway-driven approach was successfully utilized to distinguish early regulatory events during initiation prognostic for tumor outcome and provides proof-of-concept for using short-term initiation studies to classify carcinogenic potential of environmental PAH mixtures. As a result, these data further provide a ‘source-to outcome’ model that could be used to predict PAH interactions during tumorigenesis and provide an example of how mode-of-action based risk assessment could be employed for environmental PAH mixtures.

  20. Mechanism-based classification of PAH mixtures to predict carcinogenic potential

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

    Tilton, Susan C.; Siddens, Lisbeth K.; Krueger, Sharon K.; Larkin, Andrew J.; Löhr, Christiane V.; Williams, David E.; Baird, William M.; Waters, Katrina M.

    2015-04-22

    We have previously shown that relative potency factors and DNA adduct measurements are inadequate for predicting carcinogenicity of certain polycyclic aromatic hydrocarbons (PAHs) and PAH mixtures, particularly those that function through alternate pathways or exhibit greater promotional activity compared to benzo[a]pyrene (BaP). Therefore, we developed a pathway based approach for classification of tumor outcome after dermal exposure to PAH/mixtures. FVB/N mice were exposed to dibenzo[def,p]chrysene (DBC), BaP or environmental PAH mixtures (Mix 1-3) following a two-stage initiation/promotion skin tumor protocol. Resulting tumor incidence could be categorized by carcinogenic potency as DBC>>BaP=Mix2=Mix3>Mix1=Control, based on statistical significance. Gene expression profiles measured inmore » skin of mice collected 12 h post-initiation were compared to tumor outcome for identification of short-term bioactivity profiles. A Bayesian integration model was utilized to identify biological pathways predictive of PAH carcinogenic potential during initiation. Integration of probability matrices from four enriched pathways (p<0.05) for DNA damage, apoptosis, response to chemical stimulus and interferon gamma signaling resulted in the highest classification accuracy with leave-one-out cross validation. This pathway-driven approach was successfully utilized to distinguish early regulatory events during initiation prognostic for tumor outcome and provides proof-of-concept for using short-term initiation studies to classify carcinogenic potential of environmental PAH mixtures. As a result, these data further provide a ‘source-to outcome’ model that could be used to predict PAH interactions during tumorigenesis and provide an example of how mode-of-action based risk assessment could be employed for environmental PAH mixtures.« less

  1. Superfluid Fermi-Fermi mixture: Phase diagram, stability, and soliton formation

    SciTech Connect (OSTI)

    Adhikari, Sadhan K.

    2007-11-15

    We study the phase diagram for a dilute Bardeen-Cooper-Schrieffer superfluid Fermi-Fermi mixture (of distinct mass) at zero temperature using energy densities for the superfluid fermions in one (1D), two (2D), and three (3D) dimensions. We also derive the dynamical time-dependent nonlinear Euler-Lagrange equation satisfied by the mixture in one dimension using this energy density. We obtain the linear stability conditions for the mixture in terms of fermion densities of the components and the interspecies Fermi-Fermi interaction. In equilibrium there are two possibilities. The first is that of a uniform mixture of the two components, the second is that of two pure phases of two components without any overlap between them. In addition, a mixed and a pure phase, impossible in 1D and 2D, can be created in 3D. We also obtain the conditions under which the uniform mixture is stable from an energetic consideration. The same conditions are obtained from a modulational instability analysis of the dynamical equations in 1D. Finally, the 1D dynamical equations for the system are solved numerically and by variational approximation (VA) to study the bright solitons of the system for attractive interspecies Fermi-Fermi interaction in 1D. The VA is found to yield good agreement to the numerical result for the density profile and chemical potential of the bright solitons. The bright solitons are demonstrated to be dynamically stable. The experimental realization of these Fermi-Fermi bright solitons seems possible with present setups.

  2. Mechanism-based classification of PAH mixtures to predict carcinogenic potential

    SciTech Connect (OSTI)

    Tilton, Susan C.; Siddens, Lisbeth K.; Krueger, Sharon K.; Larkin, Andrew J.; Lhr, Christiane V.; Williams, David E.; Baird, William M.; Waters, Katrina M.

    2015-04-22

    We have previously shown that relative potency factors and DNA adduct measurements are inadequate for predicting carcinogenicity of certain polycyclic aromatic hydrocarbons (PAHs) and PAH mixtures, particularly those that function through alternate pathways or exhibit greater promotional activity compared to benzo[a]pyrene (BaP). Therefore, we developed a pathway based approach for classification of tumor outcome after dermal exposure to PAH/mixtures. FVB/N mice were exposed to dibenzo[def,p]chrysene (DBC), BaP or environmental PAH mixtures (Mix 1-3) following a two-stage initiation/promotion skin tumor protocol. Resulting tumor incidence could be categorized by carcinogenic potency as DBC>>BaP=Mix2=Mix3>Mix1=Control, based on statistical significance. Gene expression profiles measured in skin of mice collected 12 h post-initiation were compared to tumor outcome for identification of short-term bioactivity profiles. A Bayesian integration model was utilized to identify biological pathways predictive of PAH carcinogenic potential during initiation. Integration of probability matrices from four enriched pathways (p<0.05) for DNA damage, apoptosis, response to chemical stimulus and interferon gamma signaling resulted in the highest classification accuracy with leave-one-out cross validation. This pathway-driven approach was successfully utilized to distinguish early regulatory events during initiation prognostic for tumor outcome and provides proof-of-concept for using short-term initiation studies to classify carcinogenic potential of environmental PAH mixtures. As a result, these data further provide a source-to outcome model that could be used to predict PAH interactions during tumorigenesis and provide an example of how mode-of-action based risk assessment could be employed for environmental PAH mixtures.

  3. Binary and ternary gas mixtures with temperature enhanced diffuse glow discharge characteristics for use in closing switches

    DOE Patents [OSTI]

    Christophorou, Loucas G. (Oak Ridge, TN); Hunter, Scott R. (Oak Ridge, TN)

    1990-01-01

    An improvement to the gas mixture used in diffuse glow discharge closing switches is disclosed which includes binary and ternary gas mixtures which are formulated to exhibit decreasing electron attachment with increasing temperature. This increases the efficiency of the conductance of the glow discharge and further inhibits the formation of an arc.

  4. Enhancing the Benefit of the Chemical Mixture Methodology: A Report on Methodology Testing and Potential Approaches for Improving Performance

    SciTech Connect (OSTI)

    Yu, Xiao-Ying; Yao, Juan; He, Hua; Glantz, Clifford S.; Booth, Alexander E.

    2012-01-01

    Extensive testing shows that the current version of the Chemical Mixture Methodology (CMM) is meeting its intended mission to provide conservative estimates of the health effects from exposure to airborne chemical mixtures. However, the current version of the CMM could benefit from several enhancements that are designed to improve its application of Health Code Numbers (HCNs) and employ weighting factors to reduce over conservatism.

  5. Binary and ternary gas mixtures with temperature enhanced diffuse glow discharge characteristics for use in closing switches

    DOE Patents [OSTI]

    Christophorou, L.G.; Hunter, S.R.

    1990-06-26

    An improvement to the gas mixture used in diffuse glow discharge closing switches is disclosed which includes binary and ternary gas mixtures which are formulated to exhibit decreasing electron attachment with increasing temperature. This increases the efficiency of the conductance of the glow discharge and further inhibits the formation of an arc. 11 figs.

  6. Binary and ternary gas mixtures with temperature enhanced diffuse glow discharge characteristics for use in closing switches

    DOE Patents [OSTI]

    Christophorou, L.G.; Hunter, S.R.

    1988-06-28

    An improvement to the gas mixture used in diffuse glow discharge closing switches is disclosed which includes binary and ternary gas mixtures which are formulated to exhibit decreasing electron attachment with increasing temperature. This increases the efficiency of the conductance of the glow discharge and further inhibits the formation of an arc. 11 figs.

  7. Enhancing the Chemical Mixture Methodology in Emergency Preparedness and Consequence Assessment

    SciTech Connect (OSTI)

    Yu, Xiao-Ying; Glantz, Clifford S.; Yao, Juan; He, Hua; Petrocchi, Achille J.; Craig, Doug K.; Ciolek, John T.; Booth, Alexander E.

    2013-11-01

    Emergency preparedness personnel at US Department of Energy (DOE) facilities use the chemical mixture methodology (CMM) to estimate the potential health impacts to workers and the public from the unintended airborne release of chemical mixtures. The CMM uses a Hazard Index (HI) to compare a chemicals concentration at a receptor location to an appropriate concentration limit for that chemical. This limit is typically based on Protection Action Criteria (PAC) values developed and published by the DOE. As a first cut, the CMM sums the HIs for all the chemicals in a mixture to conservatively estimate their combined health impact. A cumulative HI ? 1.0 represents a concentration at or exceeding the concentration limit and indicates the potential for adverse health effects. Next, health code numbers (HCNs) are used to identify the target organ sets that may be impacted by exposure to each chemical in a mixture. The sum of the HIs for the maximally impacted target organ set is used to provide a refined, though still conservative estimate, of the potential for adverse health effects from exposure to the chemical mixture. This paper explores approaches to further enhance the effectiveness of the CMM by using HCN weighting factors to reduce over-conservatism. A series of 24 case studies have been defined to evaluate both the existing CMM and three new approaches for improving the CMM. The first approach uses a set of HCN weighting factors that are applied based on the priority ranking of the HCNs for each chemical. The second approach uses weighting factors based on the priority rankings of the HCNs established for a given type of concentration limit. The third approach uses information on the exposure route used to derive PAC values and the second approachs HCN ranking to derive and apply its HCN weighting factors. Initial testing indicates that applying weighting factors reduces the over-conservatism in the CMM for certain types of chemical mixtures, though care must be

  8. Surface and Interfacial Properties of Nonaqueous-Phase Liquid Mixtures Released to the Subsurface at the Hanford Site

    SciTech Connect (OSTI)

    Nellis, Scott; Yoon, Hongkyu; Werth, Charlie; Oostrom, Martinus; Valocchi, Albert J.

    2009-05-01

    Surface and interfacial tensions that arise at the interface between different phases are key parameters affecting Nonaqueous Phase Liquid (NAPL) movement and redistribution in the vadose zone after spill events. In this study, the impact of major additive components on surface and interfacial tensions for organic mixtures and wastewater was investigated. Organic mixture and wastewater compositions are based upon carbon tetrachloride (CT) mixtures released at the Hanford site, where CT was discharged simultaneously with dibutyl butyl phosphonate (DBBP), tributyl phosphate (TBP), dibutyl phosphate (DBP), and a machining lard oil (LO). A considerable amount of wastewater consisting primarily of nitrates and metal salts was also discharged. The tension values measured in this study revealed that the addition of these additive components caused a significant lowering of the interfacial tension with water or wastewater and the surface tension of the wastewater phase in equilibrium with the organic mixtures, compared to pure CT, but had minimal effect on the surface tension of the NAPL itself. These results lead to large differences in spreading coefficients for several mixtures, where the additives caused both a higher (more spreading) initial spreading coefficient and a lower (less spreading) equilibrium spreading coefficient. This indicates that if these mixtures migrate into uncontaminated areas, they will tend to spread quickly, but form a higher residual NAPL saturation after equilibrium, as compared to pure CT. Over time, CT likely volatilizes more rapidly than other components in the originally disposed mixtures and the lard oil and phosphates would become more concentrated in the remaining NAPL, resulting in a lower interfacial tension for the mixture. Spreading coefficients are expected to increase and perhaps change the equilibrated organic mixtures from nonspreading to spreading in water-wetting porous media. These results show that the behavior of organic

  9. Differential total absorptivity solution to the radiative transfer equation for mixtures of combustion gases and soot

    SciTech Connect (OSTI)

    Bressloff, N.W.; Moss, J.B.; Rubini, P.A.

    1997-01-01

    The differential total absorptivity (DTA) solution to the radiative transfer equation, originally devised for combustion gases in the discrete transfer radiation model, is extended to mixtures of gaseous combustion products and soot. The method is compared to other solution techniques for representative mixtures across single lines of sight and across a layer bounded by solid walls. Intermediate soot loadings are considered such that the total radiance is not dominated by either the gaseous or soot components. The DTA solution is shown to yield excellent accuracy relative to a narrow-band solution, with a considerable saving in computational cost. Thus, explicit treatment of the source temperature dependence of absorption is successfully demonstrated without the need for spectral integration.

  10. The Influence of Chain Dynamics on the Far Infrared Spectrum of Liquid Methanol-Water Mixtures

    SciTech Connect (OSTI)

    Woods, K.N.; Wiedemann, H.; /SLAC, SSRL

    2005-07-12

    Far-infrared absorption spectroscopy has been used to study the low frequency ({center_dot} 100 cm{sup -1}) intermolecular modes of methanol in mixtures with water. With the aid of a first principles molecular dynamics simulation on an equivalent system, a detailed understanding about the origin of the low frequency IR modes has been established. The total dipole spectrum from the simulation suggests that the bands appearing in the experimental spectra at approximately 55 cm{sup -1} and 70 cm{sup -1} in methanol and methanol-rich mixtures arise from both fluctuations and torsional motions occurring within the methanol hydrogen-bonded chains. The influence of these modes on both the solvation dynamics and the relaxation mechanisms in the liquid are discussed within the context of recent experimental and theoretical results that have emerged from studies focusing on the short time dynamics in the methanol hydrogen bond network.

  11. Investigation of spontaneous combustion of hydrogen-oxygen mixture using DSMC simulation

    SciTech Connect (OSTI)

    Yang, Chao; Sun, Quanhua

    2014-12-09

    Combustion has been widely studied in the literature, but very little work was focused on the microscopic level. In this paper, the DSMC method is applied to simulate the microscopic behavior of the spontaneous combustion of hydrogen oxygen mixture. It is found that the ignition delay time of the mixture depends on many factors, such as the physical size, temperature, pressure, and dilution. Comparison between DSMC and CFD results shows that more atomic hydrogen is consumed through reaction HO{sub 2}+H→H{sub 2}+O{sub 2} at temperature close to the extended second explosion limit due to localized distribution of reactants, which may indicate the importance of microscopic behavior on low temperature combustion.

  12. Electrochemical separation and concentration of sulfur containing gases from gas mixtures

    DOE Patents [OSTI]

    Winnick, Jack (3805 Woodrail-on-the-Green, Columbia, MO 65201)

    1981-01-01

    A method of removing sulfur oxides of H.sub.2 S from high temperature gas mixtures (150.degree.-1000.degree. C.) is the subject of the present invention. An electrochemical cell is employed. The cell is provided with inert electrodes and an electrolyte which will provide anions compatible with the sulfur containing anions formed at the anode. The electrolyte is also selected to provide inert stable cations at the temperatures encountered. The gas mixture is passed by the cathode where the sulfur gases are converted to SO.sub.4.sup.= or, in the case of H.sub.2 S, to S.sup.=. The anions migrate to the anode where they are converted to a stable gaseous form at much greater concentration levels (>10X). Current flow may be effected by utilizing an external source of electrical energy or by passing a reducing gas such as hydrogen past the anode.

  13. Catalytic igniters and their use to ignite lean hydrogen-air mixtures

    DOE Patents [OSTI]

    McLean, William J.; Thorne, Lawrence R.; Volponi, Joanne V.

    1988-01-01

    A catalytic igniter which can ignite a hydrogen-air mixture as lean as 5.5% hydrogen with induction times ranging from 20 s to 400 s, under conditions which may be present during a loss-of-liquid-coolant accident at a light water nuclear reactor comprises (a) a perforate catalytically active substrate, such as a platinum coated ceramic honeycomb or wire mesh screen, through which heated gases produced by oxidation of the mixture can freely flow and (b) a plurality of thin platinum wires mounted in a thermally conductive manner on the substrate and positioned thereon so as to be able to receive heat from the substrate and the heated gases while also in contact with unoxidized gases.

  14. Experimental triplet and quadruplet fluctuation densities and spatial distribution function integrals for liquid mixtures

    SciTech Connect (OSTI)

    Ploetz, Elizabeth A.; Smith, Paul E.

    2015-03-07

    Kirkwood-Buff or Fluctuation Solution Theory can be used to provide experimental pair fluctuations, and/or integrals over the pair distribution functions, from experimental thermodynamic data on liquid mixtures. Here, this type of approach is used to provide triplet and quadruplet fluctuations, and the corresponding integrals over the triplet and quadruplet distribution functions, in a purely thermodynamic manner that avoids the use of structure factors. The approach is then applied to binary mixtures of water + methanol and benzene + methanol over the full composition range under ambient conditions. The observed correlations between the different species vary significantly with composition. The magnitude of the fluctuations and integrals appears to increase as the number of the most polar molecule involved in the fluctuation or integral also increases. A simple physical picture of the fluctuations is provided to help rationalize some of these variations.

  15. The EPRI Laboratory experiments at ANL. [Vaporization of core-concrete mixtures

    SciTech Connect (OSTI)

    Roche, M.F.; Settle, J.L.; Leibowitz, L.; Johnson, C.E.; Ritzman, R.L.

    1987-10-28

    The vaporization of core-concrete mixtures is being measured using a transpiration method. Mixtures of stainless steel, concrete (limestone or basaltic) and urania (doped with La/sub 2/O/sub 3/, SrO, BaO, and ZrO/sub 2/) are vaporized at 2150 - 2400 K from a zirconia crucible into flowing He - 6% H/sub 2/ gas. Up to 600 ppM H/sub 2/O is added to the gas to fix the partial molar free energy of oxygen in the range -420 kJ to -550 kJ. The fraction of the sample that is vaporized is determined by weight change and by chemical analyses on the condensates that are collected in an Mo condenser tube. The results are being used to test the thermodynemic data base and the underlying assumptions of computer codes used for prediction of release during the severe accident. 13 refs., 2 tabs.

  16. Induced supersolidity in a mixture of normal and hard-core bosons

    SciTech Connect (OSTI)

    Mishra, Tapan; Das, B. P.; Pai, Ramesh V.

    2010-01-01

    We present a scenario where a supersolid is induced in one of the components of a mixture of two species bosonic atoms where there are no long-range interactions. We study a system of normal and hard-core boson mixture with only the former possessing long-range interactions. We consider three cases: the first where the total density is commensurate and the other two where it is incommensurate to the lattice. By suitable choices of the densities of normal and hard-core bosons and the interaction strengths between them, we predict that the charge density wave and the supersolid orders can be induced in the hard-core species as a result of the competing interatomic interactions.

  17. Deliberate ignition of hydrogen-air-steam mixtures in condensing steam environments

    SciTech Connect (OSTI)

    Blanchat, T.K.; Stamps, D.W.

    1997-05-01

    Large scale experiments were performed to determine the effectiveness of thermal glow plug igniters to burn hydrogen in a condensing steam environment due to the presence of water sprays. The experiments were designed to determine if a detonation or accelerated flame could occur in a hydrogen-air-steam mixture which was initially nonflammable due to steam dilution but was rendered flammable by rapid steam condensation due to water sprays. Eleven Hydrogen Igniter Tests were conducted in the test vessel. The vessel was instrumented with pressure transducers, thermocouple rakes, gas grab sample bottles, hydrogen microsensors, and cameras. The vessel contained two prototypic engineered systems: (1) a deliberate hydrogen ignition system and (2) a water spray system. Experiments were conducted under conditions scaled to be nearly prototypic of those expected in Advanced Light Water Reactors (such as the Combustion Engineering (CE) System 80+), with prototypic spray drop diameter, spray mass flux, steam condensation rates, hydrogen injection flow rates, and using the actual proposed plant igniters. The lack of any significant pressure increase during the majority of the burn and condensation events signified that localized, benign hydrogen deflagration(s) occurred with no significant pressure load on the containment vessel. Igniter location did not appear to be a factor in the open geometry. Initially stratified tests with a stoichiometric mixture in the top showed that the water spray effectively mixes the initially stratified atmosphere prior to the deflagration event. All tests demonstrated that thermal glow plugs ignite hydrogen-air-steam mixtures under conditions with water sprays near the flammability limits previously determined for hydrogen-air-steam mixtures under quiescent conditions. This report describes these experiments, gives experimental results, and provides interpretation of the results. 12 refs., 127 figs., 16 tabs.

  18. Methods of separating short half-life radionuclides from a mixture of radionuclides

    DOE Patents [OSTI]

    Bray, Lane A.; Ryan, Jack L.

    1998-01-01

    The present invention is a method of obtaining a radionuclide product selected from the group consisting of .sup.223 Ra and .sup.225 Ac, from a radionuclide "cow" of .sup.227 Ac or .sup.229 Th respectively. The method comprises the steps of a) permitting ingrowth of at least one radionuclide daughter from said radionuclide "cow" forming an ingrown mixture; b) insuring that the ingrown mixture is a nitric acid ingrown mixture; c) passing the nitric acid ingrown mixture through a first nitrate form ion exchange column which permits separating the "cow" from at least one radionuclide daughter; d) insuring that the at least one radionuclide daughter contains the radionuclide product; e) passing the at least one radionuclide daughter through a second ion exchange column and separating the at least one radionuclide daughter from the radionuclide product and f) recycling the at least one radionuclide daughter by adding it to the "cow". In one embodiment the radionuclide "cow" is the .sup.227 Ac, the at least one daughter radionuclide is a .sup.227 Th and the product radionuclide is the .sup.223 Ra and the first nitrate form ion exchange column passes the .sup.227 Ac and retains the .sup.227 Th. In another embodiment the radionuclide "cow"is the .sup.229 Th, the at least one daughter radionuclide is a .sup.225 Ra and said product radionuclide is the .sup.225 Ac and the .sup.225 Ac and nitrate form ion exchange column retains the .sup.229 Th and passes the .sup.225 Ra/Ac.

  19. Characterization and control of exhaust gas from diesel engine firing coal-water mixture

    SciTech Connect (OSTI)

    Samuel, E.A.; Gal, E.; Mengel, M.; Arnold, M.

    1990-03-01

    Exhaust from the GE-TS single cylinder diesel engine, fitted with hardened metal, and diamond-tipped metal fuel injection nozzles, and firing coal-water mixture (CWM) has been characterized with respect to gas composition, particulate size distribution, and particulate filtration characteristics. The measured flue gas compositions are roughly in keeping with results from combustion calculations. The time variations of the hydrocarbon, CO, and NO[sub x] concentrations are also understood in terms of known reaction mechanisms.

  20. Characterization and control of exhaust gas from diesel engine firing coal-water mixture

    SciTech Connect (OSTI)

    Samuel, E.A.; Gal, E.; Mengel, M.; Arnold, M.

    1990-03-01

    Exhaust from the GE-TS single cylinder diesel engine, fitted with hardened metal, and diamond-tipped metal fuel injection nozzles, and firing coal-water mixture (CWM) has been characterized with respect to gas composition, particulate size distribution, and particulate filtration characteristics. The measured flue gas compositions are roughly in keeping with results from combustion calculations. The time variations of the hydrocarbon, CO, and NO{sub x} concentrations are also understood in terms of known reaction mechanisms.

  1. Superconducting cable cooling system by helium gas and a mixture of gas and liquid helium

    DOE Patents [OSTI]

    Dean, John W.

    1977-01-01

    Thermally contacting, oppositely streaming cryogenic fluid streams in the same enclosure in a closed cycle that changes from a cool high pressure helium gas to a cooler reduced pressure helium fluid comprised of a mixture of gas and boiling liquid so as to be near the same temperature but at different pressures respectively in go and return legs that are in thermal contact with each other and in thermal contact with a longitudinally extending superconducting transmission line enclosed in the same cable enclosure that insulates the line from the ambient at a temperature T.sub.1. By first circulating the fluid in a go leg from a refrigerator at one end of the line as a high pressure helium gas near the normal boiling temperature of helium; then circulating the gas through an expander at the other end of the line where the gas becomes a mixture of reduced pressure gas and boiling liquid at its boiling temperature; then by circulating the mixture in a return leg that is separated from but in thermal contact with the gas in the go leg and in the same enclosure therewith; and finally returning the resulting low pressure gas to the refrigerator for compression into a high pressure gas at T.sub.2 is a closed cycle, where T.sub.1 >T.sub.2, the temperature distribution is such that the line temperature is nearly constant along its length from the refrigerator to the expander due to the boiling of the liquid in the mixture. A heat exchanger between the go and return lines removes the gas from the liquid in the return leg while cooling the go leg.

  2. Methods of separating short half-life radionuclides from a mixture of radionuclides

    DOE Patents [OSTI]

    Bray, L.A.; Ryan, J.L.

    1998-09-15

    The present invention is a method of obtaining a radionuclide product selected from the group consisting of {sup 223}Ra and {sup 225}Ac, from a radionuclide ``cow`` of {sup 227}Ac or {sup 229}Th respectively. The method comprises the steps of (a) permitting ingrowth of at least one radionuclide daughter from said radionuclide ``cow`` forming an ingrown mixture; (b) insuring that the ingrown mixture is a nitric acid ingrown mixture; (c) passing the nitric acid ingrown mixture through a first nitrate form ion exchange column which permits separating the ``cow`` from at least one radionuclide daughter; (d) insuring that the at least one radionuclide daughter contains the radionuclide product; (e) passing the at least one radionuclide daughter through a second ion exchange column and separating the at least one radionuclide daughter from the radionuclide product and (f) recycling the at least one radionuclide daughter by adding it to the ``cow``. In one embodiment the radionuclide ``cow`` is the {sup 227}Ac, the at least one daughter radionuclide is a {sup 227}Th and the product radionuclide is the {sup 223}Ra and the first nitrate form ion exchange column passes the {sup 227}Ac and retains the {sup 227}Th. In another embodiment the radionuclide ``cow`` is the {sup 229}Th, the at least one daughter radionuclide is a {sup 225}Ra and said product radionuclide is the {sup 225}Ac and the {sup 225}Ac and nitrate form ion exchange column retains the {sup 229}Th and passes the {sup 225}Ra/Ac. 8 figs.

  3. Composition dependent structural organization in trihexyl(tetradecyl)phosphonium chloride ionic liquid-methanol mixtures

    SciTech Connect (OSTI)

    Gupta, Aditya; Sharma, Shobha; Kashyap, Hemant K.

    2015-04-07

    This article reports results from the molecular dynamics simulations on the structural arrangement of the ions and molecules in the mixtures of trihexyl(tetradecyl)phosphonium chloride ([P{sub 666,14}{sup +}][Cl{sup ?}]) ionic liquid (IL) and methanol (MeOH) over the entire composition range. Effects of composition on the charge and polarity orderings have been investigated via computation of X-ray scattering structure function, S(q), and by using a partitioning scheme proposed for such multi-component mixtures. Except for the neat methanol liquid, the total S(q) shows two peaks in its intermolecular region for all the mole-fractions. The lowest q peak is dominated primarily by anion-anion, cation-anion, and methanol-anion correlations. Our results signify that the methanol bulk structure, which predominantly has short-distance characteristic correlations and is governed by polar group of methanol, is retained for x{sub IL} ? 0.1. Then, the mixture goes through gradual structural changes from methanol-like to the IL-like for 0.1 < x{sub IL} ? 0.7. The dipolar interaction between methanol molecules weakens in this range, and the structural landscape of the mixture is steered by strong ion-ion, anion-methanol, and nonpolar interactions. The IL-like structural arrangement is virtually recovered for x{sub IL} > 0.7. At all the compositions studied, while the cation head groups are predominantly solvated by anions and subsequently by methanol molecules, the polar hydroxyl group of methanol is preferentially solvated by the anions. The radial distribution functions of selected pair of atomic species have also confirmed these observations.

  4. Dielectric breakdown properties of hot SF{sub 6}/He mixtures predicted from basic data

    SciTech Connect (OSTI)

    Wang, Weizong; State Key Laboratory of Electrical Insulation and Power Equipment, Xi'an Jiaotong University, Xi'an Shaanxi 710049 ; Tu, Xin; Mei, Danhua; Rong, Mingzhe

    2013-11-15

    Sulfur hexafluoride (SF{sub 6}) gas has a quite high global warming potential and hence it is required that applying any substitute for SF{sub 6} gas. Much interest in the use of a mixture of helium and SF{sub 6} as arc quenching medium was investigated indicating a higher recovery performance of arc interruption than that of pure SF{sub 6}. It is known that the electrical breakdown in a circuit breaker after arc interruption occurs in a hot gas environment, with a complicated species composition because of the occurrence of dissociation and other reactions. The likelihood of breakdown relies on the electron interactions with all these species. The critical reduced electric field strength (the field at which breakdown can occur, relative to the number density) of hot SF{sub 6}/He mixtures related to the dielectric recovery phase of a high voltage circuit breaker is calculated in the temperature range from 300 K to 3500 K. The critically reduced electric field strength of these mixtures was obtained by balancing electron generation and loss mechanisms. These were evaluated using the electron energy distribution function derived from the Boltzmann transport equation under the two-term approximation. Good agreement was found between calculations for pure hot SF{sub 6} and pure hot He and experimental results and previous calculations. The addition of He to SF{sub 6} was found to decrease the critical reduced electric field strength in the whole temperature range due to a lack of electron impact attachment process for helium regardless its high ionization potential. This indicates that not the behaviour of dielectric strength but possibly the higher energy dissipation capability caused mainly by light mass and high specific heat as well as thermal conductivity of atomic helium contributes most to a higher dielectric recovery performance of arc interruption for SF{sub 6}/He mixtures.

  5. Development characteristics of polymethyl methacrylate in alcohol/water mixtures. A lithography and Raman spectroscopy study

    SciTech Connect (OSTI)

    Ocola, Leonidas E.; Costales, Maya; Gosztola, David J.

    2015-12-10

    Poly methyl methacrylate (PMMA) is the most widely used resist in electron beam lithography. This paper reports on a lithography and Raman spectroscopy study of development characteristics of PMMA in methanol, ethanol and isopropanol mixtures with water as developers. We have found that ethanol/water mixtures at a 4:1 volume ratio are an excellent, high resolution, non-toxic, developer for exposed PMMA. We also have found that the proper methodology to use so that contrast data can be compared to techniques used in polymer science is not to rinse the developed resist but to immediately dry with nitrogen. Our results show how powerful simple lithographic techniques can be used to study ternary polymer solvent solutions when compared to other techniques used in the literature. Raman data shows that there both tightly bonded –OH groups and non-hydrogen bonded –OH groups play a role in the development of PMMA. Tightly hydrogen bonded –OH groups show pure Lorentzian Raman absorption only in the concentration ranges where ethanol/water and IPA/water mixtures are effective developers of PMMA. The impact of the understanding these interactions may open doors to a new developers of other electron beam resists that can reduce the toxicity of the waste stream.

  6. Thermal reactivity of mixtures of VDDT lubricant and simulated Hanford Tank 241-SY-101 waste

    SciTech Connect (OSTI)

    Scheele, R.D.; Panisko, F.E.; Sell, R.L.

    1996-09-01

    To predict whether the Polywater G lubricant residue remaining in the velocity, density, and temperature tree (VDTT) and the waste in Tank 241-SY-101 (101SY) will be chemically compatible with wastes in 101SY when two VDTTs are removed from 101SY, the Pacific Northwest National Laboratory measured the thermal reaction sensitivity of the lubricant residue. This residue is a simulated 101SY waste containing the organic surrogate trisodium hydroxyethyl-ethylenediaminetriacetate (Na{sub 3}HEDTA) and two simulated potential waste and lubricant residue mixtures containing 10 and 90 percent lubricant residue. These studies using accelerating rate calorimetry found that the residue did not react at a rate exceeding 0.1 J/min/g mixture up to 190 degrees C with simulated 101SY waste containing Na{sub 3}HEDTA as the organic surrogate. Also, the dried lubricant residue did not decompose exothermically at a rate exceeding 0.1 J/min/g. Using guidelines used by the chemical industry, these results indicate that the lubricant residue should not react as a significant rate with the waste in 101SY when added to the waste at 60 degrees C or when the mixture cools to the waste`s temperature of 48 degrees C.

  7. Mechanism of Phase Formation in the Batch Mixtures for Slag-Bearing Glass Ceramics - 12207

    SciTech Connect (OSTI)

    Stefanovsky, Sergey V.; Stefanovsky, Olga I.; Malinina, Galina A.

    2012-07-01

    Slag surrogate was produced from chemicals by heating to 900 deg. C and keeping at this temperature for 1 hr. The product obtained was intermixed with either sodium di-silicate (75 wt.% waste loading) or borax (85 wt.% slag loading). The mixtures were heat-treated within a temperature range of 25 to 1300 deg. C. The products were examined by X-ray diffraction and infrared spectroscopy. The products prepared at temperatures of up to 1000 deg. C contained both phase typical of the source slag and intermediate phases as well as phases typical of the materials melted at 1350 deg. C such as nepheline, britholite, magnetite and matrix vitreous phase. Vitrification process in batch mixtures consisting of slag surrogate and either sodium di-silicate or sodium tetraborate runs through formation of intermediate phases mainly silico-phosphates capable to incorporate Sm as trivalent actinides surrogate. Reactions in the batch mixtures are in the whole completed by ∼1000 deg. C but higher temperatures are required to homogenize the products. If in the borate-based system the mechanism is close to simple dissolution of slag constituents in the low viscous borate melt, then in the silicate-based system the mechanism was found to be much complicated and includes re-crystallization during melting with segregation of newly-formed nepheline type phase. (authors)

  8. Establishment and growth of experimental grass species mixtures on coal mine sites reclaimed with municipal biosolids

    SciTech Connect (OSTI)

    Halofsky, J.E.; McCormick, L.H.

    2005-05-01

    The Surface Mining Control and Reclamation Act of 1977 requires that coal mine sites in the United States be reclaimed to establish vegetative cover that is diverse, native, and capable of plant succession. However, there is a question as to whether vegetation established on coal mine sites reclaimed with biosolids is diverse and capable of plant succession. The influx of nutrients with the addition of biosolids leads to long-term dominance by early-successional species, most notably grasses, and consequently, a low establishment of woody and volunteer species. Additionally, many grass species commonly planted in reclamation have aggressive growth habits that lead to their dominance in coal mine plant communities. The establishment and growth of selected grass mixes was evaluated to determine whether alternative grass mixes would be less competitive with woody and volunteer species as compared to commonly used grass mixes. Percent vegetative cover, species richness, and the survival of direct-seeded woody species were assessed for each treatment grass mixture. It was found that Poa compress and a mixture of P. compress, Panicum virgatum, and Trifolium repens provided adequate coverage while still allowing the highest species richness and survival of woody species. Use of these species mixtures in coal mine reclamation with biosolids in the eastern United States would likely lead to establishment of a more species-rich plant community with a greater woody species component while still providing erosion control and site protection.

  9. Mixtures of SF6 CO2 as working fluids for geothermal power plants

    SciTech Connect (OSTI)

    Yin, Hebi; Sabau, Adrian S; Conklin, Jim; McFarlane, Joanna; Qualls, A L

    2013-01-01

    In this paper, supercritical/transcritical thermodynamic cycles using mixtures of SF6 CO2 as working fluids were investigated for geothermal power plants. The system of equations that described the thermodynamic cycle was solved using a Newton-Raphson method. This approach allows a high computational efficiency even when thermophysical properties of the working fluid depend strongly on the temperature and pressure. The thermophysical properties of the mixtures were obtained from National Institute of Standards and Technology (NIST) REFPROP software and constituent cubic equations. The local heat transfer coefficients in the heat exchangers were calculated based on the local properties of the working fluid, geothermal brine, and cooling water. The heat exchanger areas required were calculated. Numerical simulation results presented for different cycle configurations were used to assess the effects of the SF6 fraction in CO2, brine temperature, and recuperator size on the cycle thermal efficiency, and size of heat exchangers for the evaporator and condenser. Optimal thermodynamic cycle efficiencies were calculated to be approximately 13 and 15% mole content of SF6 in a CO2- SF6 mixture for a Brayton cycle and a Rankine cycle, respectively.

  10. Communication: Unusual structure and transport in ionic liquid-hexane mixtures

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

    Liang, Min; Khatun, Sufia; Castner, Edward W.

    2015-03-28

    Ionic liquids having a sufficiently amphiphilic cation can dissolve large volume fractions of alkanes, leading to mixtures with intriguing properties on molecular length scales. The trihexyl(tetradecyl)phosphonium cation paired with the bis(trifluoromethylsulfonyl)amide anion provides an ionic liquid that can dissolve large mole fractions of hexane. We present experimental results on mixtures of n-C6D14 with this ionic liquid. High- energy X-ray scattering studies reveal a persistence of the characteristic features of ionic liquid structure even for 80% dilution with n-C6D14. NMR self-diffusion results reveal decidedly non-hydrodynamic behavior where the self-diffusion of the neutral, non-polar n-C6D14 is on average a factor of 21more » times faster than for the cation. Exploitation of the unique structural and transport properties of these mixtures may lead to new opportunities for designer solvents for enhanced chemical reactivity and interface science.« less

  11. Velocity of large bubble in liquid-solid mixture in a vertical tube

    SciTech Connect (OSTI)

    Hamaguchi, H.; Sakaguchi, T.

    1995-09-01

    The upward movement of a large bubble in a stationary mixture of liquid and solid is one of the most fundamental phenomena of gas-liquid-solid three phase slug flow in a vertical tube. The purpose of this study is to make clear the characteristic of the rising velocity of this fundamental flow experimentally. The rising velocity of a large bubble V in a liquid-solid mixture was measured and compared with the velocity V{sub o} in a liquid (without solid). The experimental results were correlated using a non-dimensional velocity V{sup *}(=V/V{sub o}), and the following results were obtained. It was found that the characteristic of the rising velocity differs according to the tube diameter and the liquid viscosity, or the Galileo number in the non-dimensional expression. It can be classified into two regimes. (i) When the liquid viscosity is large (or the tube diameter is small), V{sup *} decreases linearly against the volumetric solid fraction {epsilon} of the mixture. (ii) When the viscosity is small, on the other hand, the relation between V{sup *} and {epsilon} is not linear. This classification can be explained by the results in the previous papers by the authors dealing with a large bubble in a liquid.

  12. Nanostructures of Liquid Crystal Phases in Mixtures of Bent-core and Rod-shaped Molecules

    SciTech Connect (OSTI)

    S Hong; R Verduzco; J Gleeson; S Sprunt; A Jakli

    2011-12-31

    We report small angle x-ray scattering (SAXS) studies of isotropic, nematic, and smectic mesophases formed by binary mixtures of bent-core (BC) and rod-shaped (RS) molecules. While optical studies indicate that the components are fully miscible, SAXS reveals fascinating structures that are consistent with segregation on a nanoscopic scale. We find that tilted smectic clusters, which have been previously reported in both the nematic and isotropic states of the pure BC materials, are also present in mixtures with up to 50 wt% of the RS compound; this is consistent with previous dielectric and flexoelectric studies on such mixtures. Unexpectedly in this concentration range the clusters are present in the isotropic and in the induced smectic phase range, as well as throughout the nematic phase. The results in the smectic phase also reveal complex layering phenomena, providing important insight into the interaction between bent and rod-shaped molecules. These studies will be crucial in the design of promising new functional nanomaterials.

  13. Nanostructures of liquid crystal phases in mixtures of bent-core and rod-shaped molecules

    SciTech Connect (OSTI)

    Hong, S. H.; Gleeson, J. T.; Sprunt, S.; Verduzco, R.; Jakli, A.

    2011-06-15

    We report small angle x-ray scattering (SAXS) studies of isotropic, nematic, and smectic mesophases formed by binary mixtures of bent-core (BC) and rod-shaped (RS) molecules. While optical studies indicate that the components are fully miscible, SAXS reveals fascinating structures that are consistent with segregation on a nanoscopic scale. We find that tilted smectic clusters, which have been previously reported in both the nematic and isotropic states of the pure BC materials, are also present in mixtures with up to 50 wt% of the RS compound; this is consistent with previous dielectric and flexoelectric studies on such mixtures. Unexpectedly in this concentration range the clusters are present in the isotropic and in the induced smectic phase range, as well as throughout the nematic phase. The results in the smectic phase also reveal complex layering phenomena, providing important insight into the interaction between bent and rod-shaped molecules. These studies will be crucial in the design of promising new functional nanomaterials.

  14. Persistent activation of DNA damage signaling in response to complex mixtures of PAHs in air particulate matter

    SciTech Connect (OSTI)

    Jarvis, Ian W.H.; Bergvall, Christoffer; Bottai, Matteo; Westerholm, Roger; Stenius, Ulla; Dreij, Kristian

    2013-02-01

    Complex mixtures of polycyclic aromatic hydrocarbons (PAHs) are present in air particulate matter (PM) and have been associated with many adverse human health effects including cancer and respiratory disease. However, due to their complexity, the risk of exposure to mixtures is difficult to estimate. In the present study the effects of binary mixtures of benzo[a]pyrene (BP) and dibenzo[a,l]pyrene (DBP) and complex mixtures of PAHs in urban air PM extracts on DNA damage signaling was investigated. Applying a statistical model to the data we observed a more than additive response for binary mixtures of BP and DBP on activation of DNA damage signaling. Persistent activation of checkpoint kinase 1 (Chk1) was observed at significantly lower BP equivalent concentrations in air PM extracts than BP alone. Activation of DNA damage signaling was also more persistent in air PM fractions containing PAHs with more than four aromatic rings suggesting larger PAHs contribute a greater risk to human health. Altogether our data suggests that human health risk assessment based on additivity such as toxicity equivalency factor scales may significantly underestimate the risk of exposure to complex mixtures of PAHs. The data confirms our previous findings with PAH-contaminated soil (Niziolek-Kierecka et al., 2012) and suggests a possible role for Chk1 Ser317 phosphorylation as a biological marker for future analyses of complex mixtures of PAHs. -- Highlights: ? Benzo[a]pyrene (BP), dibenzo[a,l]pyrene (DBP) and air PM PAH extracts were compared. ? Binary mixture of BP and DBP induced a more than additive DNA damage response. ? Air PM PAH extracts were more potent than toxicity equivalency factor estimates. ? Larger PAHs (> 4 rings) contribute more to the genotoxicity of PAHs in air PM. ? Chk1 is a sensitive marker for persistent activation of DNA damage signaling from PAH mixtures.

  15. Detection of a new 'nematic-like' phase in liquid crystal-amphiphile mixture by differential scanning calorimetry

    SciTech Connect (OSTI)

    Dan, Kaustabh Roy, Madhusudan Datta, Alokmay

    2014-04-24

    Differential Scanning Calorimetry (DSC) studies on phase transitions of the pure liquid crystalline material N-4-methoxybenzylidene-4-butylaniline (MBBA) and mixtures of MBBA and the amphiphile Stearic Acid (StA) show significant changes in the behavior of mixture from pure MBBA, as regards the nematic-isotropic (N-I) transition temperature (T{sub c}) and other thermodynamic parameters like enthalpy, specific heat and activation energy with concentration of StA. In particular, the convexity of the Arrhenius plot in pure MBBA vanishes with StA concentration pointing to the formation of a new, perhaps 'nematic-like', phase in the mixtures.

  16. Accelerated screening methods for determining chemical and thermal stability of refrigerant-lubricant mixtures, Part II: Experimental comparison and verification of methods. Volume 2, In situ conductivity data

    SciTech Connect (OSTI)

    Kauffman, R.

    1995-09-01

    Data are presented for the accelerated screening methods for determining chemical and thermal stability of refrigerant-lubricant mixtures.

  17. Effect of CO{sub 2} air mixtures on the pH of air-stripped water...

    Office of Scientific and Technical Information (OSTI)

    pH of air-stripped water at Treatment Facility D Citation Details In-Document Search Title: Effect of COsub 2 air mixtures on the pH of air-stripped water at Treatment Facility ...

  18. Ignition of a combustible gas mixture by a high-current electric discharge in a closed volume

    SciTech Connect (OSTI)

    Berezhetskaya, N. K.; Gritsinin, S. I.; Kop'ev, V. A.; Kossyi, I. A.; Kuleshov, P. S.; Popov, N. A.; Starik, A. M.; Tarasova, N. M.

    2009-06-15

    Results are presented from experimental studies and numerical calculations of the ignition of a stoichiometric CH{sub 4}: O{sub 2} gas mixture by a high-current gliding discharge. It is shown that this type of discharge generates an axially propagating thermal wave (precursor) that penetrates into the gas medium and leads to fast gas heating. This process is followed by an almost simultaneous ignition of the gas mixture over the entire reactor volume.

  19. Formative time of breakdown modeled for the ignition of air and n-butane mixtures using effective ionization coefficients

    SciTech Connect (OSTI)

    Kudryavtsev, A. A.; Popugaev, S. D.; Demidov, V. I.; Adams, S. F.; Jiao, C. Q.

    2008-12-15

    It is shown that simulations of ignition by electric arc discharge in n-butane and air mixtures have interesting features, which deviate from results obtained by simple extension of calculations based on methanelike fuels. In particular, it is demonstrated that lowering the temperature of the n-butane-air mixture before ignition under certain conditions will actually decrease the ignition stage time as well as the required electric field.

  20. SEPARATION OF POLONIUM, PROTACTINIUM OR MIXTURES THEREOF IN AQUEOUS SOLUTION FROM BISMUTH, LEAD, ZIRCONIUM AND/OR COLUMBIUM VALUES

    DOE Patents [OSTI]

    Van Winkle, Q.; Kraus, K.A.

    1959-10-27

    A process is presented for separating polonium, protactinium, or mixtures thereof in aqueous solution from bismuth, zirconium, lead, and niobium values contained in the solution. The method comprises providing hydrochloric acid in the solution in a concentration of at least 5N. contacting the aqueous solution with a substantially waterimmiscible organic solvent such as diisopropyl ketone, and separating the aqueous phase containing the bismuth, zirconium, lead, and niobium from the organic extract phase containing the polonium, protactinium, or mixture thereof.

  1. An investigation of condensation from steam-gas mixtures flowing downward inside a vertical tube

    SciTech Connect (OSTI)

    Kuhn, S.Z.; Schrock, V.E.; Peterson, P.F.

    1995-09-01

    Previous experiments have been carried out by Vierow, Ogg, Kageyama and Siddique for condensation from steam/gas mixtures in vertical tubes. In each case the data scatter relative to the correlation was large and there was not close agreement among the three investigations. A new apparatus has been designed and built using the lessons learned from the earlier studies. Using the new apparatus, an extensive new data base has been obtained for pure steam, steam-air mixtures and steam-helium mixtures. Three different correlations, one implementing the degradation method initially proposed by Vierow and Schrock, a second diffusion layer theory initially proposed by Peterson, and third mass transfer conductance model are presented in this paper. The correlation using the simple degradation factor method has been shown, with some modification, to give satisfactory engineering accuracy when applied to the new data. However, this method is based on very simplified arguments that do not fully represent the complex physical phenomena involved. Better representation of the data has been found possible using modifications of the more complex and phenomenologically based method which treats the heat transfer conductance of the liquid film in series with the conductance on the vapor-gas side with the latter comprised of mass transfer and sensible heat transfer conductance acting in parallel. The mechanistic models, based on the modified diffusion layer theory or classical mass transfer theory for mass transfer conductance with transpiration successfully correlate the data for the heat transfer of vapor-gas side. Combined with the heat transfer of liquid film model proposed by Blangetti, the overall heat transfer coefficients predicted by the correlations from mechanistic models are in close agreement with experimental values.

  2. Fluidization characteristics of power-plant fly ashes and fly ash-charcoal mixtures. [MS Thesis; 40 references

    SciTech Connect (OSTI)

    Nguyen, C.T.

    1980-03-01

    As a part of the continuing research on aluminum recovery from fly ash by HiChlor process, a plexiglass fluidization column system was constructed for measurement of fluidization parameters for power-plant fly ashes and fly ash-charcoal mixtures. Several bituminous and subbituminous coal fly ashes were tested and large differences in fluidization characteristics were observed. Fly ashes which were mechanically collected fluidized uniformly at low gas flow rates. Most fly ashes which were electrostatically precipitated exhibited channeling tendency and did not fluidize uniformly. Fluidization characteristics of electrostatically collected ashes improve when the finely divided charcoal powder is added to the mixture. The fluidization of the mixture was aided initially by a mechanical stirrer. Once the fluidization had succeeded, the beds were ready to fluidize without the assistance of a mechanical action. Smooth fluidization and large bed expansion were usually observed. The effects of charcoal size and aspect ratio on fluidization characteristics of the mixtures were also investigated. Fluidization characteristics of a fly ash-coal mixture were tested. The mixture fluidized only after being oven-dried for a few days.

  3. Pitting of iron and carbon steel in mixtures of methanol-water

    SciTech Connect (OSTI)

    Pischik, L.M.; Novitskii, V.S.; Lysak, T.A.

    1987-01-01

    Since the technological media used for the production of methanol contains dissolved carbon dioxide and trace quantities of formic acid, pit formation on Armco iron (State Standard (GOST) 3836-73) and carbon steel St 3 (GOST 390-71) was studied in pure mixtures of rectified methanol and water in the presence of CO/sub 2/ at 30/sup 0/ and 60/sup 0/. This was done in order to determine the nature and concentration of active components and also to see what were the effects of water (5-30% by mass), metal purity, and temperature on the kinetic parameters of pit formation.

  4. SOLAR MIXTURE OPACITY CALCULATIONS USING DETAILED CONFIGURATION AND LEVEL ACCOUNTING TREATMENTS

    SciTech Connect (OSTI)

    Blancard, Christophe; Cosse, Philippe; Faussurier, Gerald

    2012-01-20

    An opacity model (OPAS) combining detailed configuration and level accounting treatments has been developed to calculate radiative opacity of plasmas in local thermodynamic equilibrium. The model is presented and used to compute spectral opacities of a solar mixture. Various density-temperature couples have been considered from the solar center up to the vicinity of the radiative/convective zone interface. For a given solar thermodynamic path, OPAS calculations are compared to Opacity Project (OP) and OPAL data. Rosseland mean opacity values are in very good agreement over all the considered solar thermodynamic path, while OPAS and OP spectral opacities of each element may vary considerably. Main sources of discrepancy are discussed.

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

    SciTech Connect (OSTI)

    Baer, M.R.

    1993-07-01

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

  6. Modeling And Measurements Of The Arc Plasma In A Mixture Of Gases

    SciTech Connect (OSTI)

    Pawelec, E.; KsiaPzek, I.

    2006-01-15

    Radial distributions of Ar mass fractions and temperatures in plasmas produced in a wall-stabilized arc have been calculated. Modeling have been performed for many different mixtures of Ar+N2 and three different arc currents. The obtained results show that the radial distributions of Ar mass fractions strongly depend on the chemical composition of the plasma. In plasmas containing large amount of Ar the distributions have local minima at the arc axis (in high temperature plasma regions), whereas in plasmas consisting mainly of nitrogen the distributions reveal maxima on the discharge axis. Those features seem to be connected with the dissociation of the nitrogen.

  7. Multiple recycle of REMIX fuel based on reprocessed uranium and plutonium mixture in thermal reactors

    SciTech Connect (OSTI)

    Fedorov, Y.S.; Bibichev, B.A.; Zilberman, B.Y.; Baryshnikov, M.V.; Kryukov, O.V.; Khaperskaya, A.V.

    2013-07-01

    REMIX fuel consumption in WWER-1000 is considered. REMIX fuel is fabricated from non-separated mixture of uranium and plutonium obtained during NPP spent fuel reprocessing with further makeup by enriched natural uranium. It makes possible to recycle several times the total amount of uranium and plutonium obtained from spent fuel with 100% loading of the WWER-1000 core. The stored SNF could be also involved in REMIX fuel cycle by enrichment of regenerated uranium. The same approach could be applied to closing the fuel cycle of CANDU reactors. (authors)

  8. Criticality characteristics of mixtures of plutonium, silicon dioxide, Nevada tuff, and water

    SciTech Connect (OSTI)

    Sanchez, R.; Myers, W.; Hayes, D.

    1997-01-01

    The nuclear criticality characteristics of mixtures of plutonium, silicon dioxide, and water (Part A) or plutonium, silicon dioxide, Nevada Yucca Mountain tuff, and water (Part B) have become of interest because of the appearance of recent papers on the subject. These papers postulate that if excess weapons plutonium is vitrified into a silicate log and buried underground, a self-sustaining neutron chain reaction may develop given sufficient time and interaction with the burial medium. Moreover, given specific geologic actions resulting in postulated configurations, the referenced papers state that nuclear explosions could occur with multi-kiloton yields or yields equivalent to hundreds of tons of TNT.

  9. Pervaporation separation of ethanol-water mixtures using polyethylenimine composite membranes

    DOE Patents [OSTI]

    Neidlinger, H.H.; Schissel, P.O.; Orth, R.A.

    1985-06-19

    Synthetic, organic, polymeric membranes were prepared from polyethylenimine for use with pervaporation apparatus in the separation of ethanol-water mixtures. The polymeric material was prepared in dilute aqueous solution and coated onto a polysulfone support film, from which excess polymeric material was subsequently removed. Cross-links were then generated by limited exposure to toluene-2,4-diisocyanate solution, after which the prepared membrane was heat-cured. The resulting membrane structures showed high selectivity in permeating ethanol or water over a wide range of feed concentrations. 2 tabs.

  10. Pervaporation separation of ethanol-water mixtures using polyethylenimine composite membranes

    DOE Patents [OSTI]

    Neidlinger, H.H.; Schissel, P.O.; Orth, R.A.

    1987-04-21

    Synthetic, organic, polymeric membranes were prepared from polyethylenimine for use with pervaporation apparatus in the separation of ethanol-water mixtures. The polymeric material was prepared in dilute aqueous solution and coated onto a polysulfone support film, from which excess polymeric material was subsequently removed. Cross-links were then generated by limited exposure to toluene-2,4-diisocyanate solution, after which the prepared membrane was heat-cured. The resulting membrane structures showed high selectivity in permeating ethanol or water over a wide range of feed concentrations.

  11. Pervaporation separation of ethanol-water mixtures using polyacrylic acid composite membranes

    DOE Patents [OSTI]

    Neidlinger, H.H.

    1985-05-07

    Synthetic, organic, polymeric membranes were prepared from polyacrylic acid salts for use with pervaporation apparatus in the separation of ehthanol-water mixtures. The polymeric material was prepared in dilute aqueous solution and coated onto a polysulfone support film, from which excess polymeric material was subsequently removed. Cross-links were then generated by limited exposure to toluene-2,4-diisocyanata solution, after which the prepared membrane was heat-cured. The resulting membrane structure showed selectivity in permeating water over a wide range of feed concentrations. 4 tabs.

  12. Pervaporation separation of ethanol-water mixtures using polyethylenimine composite membranes

    DOE Patents [OSTI]

    Neidlinger, Hermann H.; Schissel, Paul O.; Orth, Richard A.

    1987-01-01

    Synthetic, organic, polymeric membranes were prepared from polyethylenimine for use with pervaporation apparatus in the separation of ethanol-water mixtures. The polymeric material was prepared in dilute aqueous solution and coated onto a polysulfone support film, from which excess polymeric material was subsequently removed. Cross-links were then generated by limited exposure to toluene-2,4-diisocyanate solution, after which the prepared membrane was heat-cured. The resulting membrane structures showed high selectivity in permeating ethanol or water over a wide range of feed concentrations.

  13. Process and catalyst for converting synthesis gas to liquid hydrocarbon mixture

    DOE Patents [OSTI]

    Rao, V. Udaya S.; Gormley, Robert J.

    1987-01-01

    Synthesis gas containing CO and H.sub.2 is converted to a high-octane hydrocarbon liquid in the gasoline boiling point range by bringing the gas into contact with a heterogeneous catalyst including, in physical mixture, a zeolite molecular sieve, cobalt at 6-20% by weight, and thoria at 0.5-3.9% by weight. The contacting occurs at a temperature of 250.degree.-300.degree. C., and a pressure of 10-30 atmospheres. The conditions can be selected to form a major portion of the hydrocarbon product in the gasoline boiling range with a research octane of more than 80 and less than 10% by weight aromatics.

  14. Synthesis of Cycloprodigiosin Identifies the Natural Isolate as a Scalemic Mixture

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

    Johnson, Rebecca E.; de Rond, Tristan; Lindsay, Vincent N. G.; Keasling, Jay D.; Sarpong, Richmond

    2015-07-17

    We prepared the enantiomers of the natural product cycloprodigiosin using an expedient five-step synthetic sequence that takes advantage of a Schöllkopf–Barton–Zard (SBZ) pyrrole annulation with a chiral isocyanoacetate and a nitrocyclohexene derivative. Using chiral HPLC and X-ray crystallographic analyses of the synthetically prepared material and natural isolate (isolated from the marine bacterium Pseudoalteromonas rubra), naturally occurring cycloprodigiosin was determined to be a scalemic mixture occurring in an enantiomeric ratio of 83:17 (R)/(S) at C4'.

  15. Probability density function characterization for aggregated large-scale wind power based on Weibull mixtures

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

    Gomez-Lazaro, Emilio; Bueso, Maria C.; Kessler, Mathieu; Martin-Martinez, Sergio; Zhang, Jie; Hodge, Bri -Mathias; Molina-Garcia, Angel

    2016-02-02

    Here, the Weibull probability distribution has been widely applied to characterize wind speeds for wind energy resources. Wind power generation modeling is different, however, due in particular to power curve limitations, wind turbine control methods, and transmission system operation requirements. These differences are even greater for aggregated wind power generation in power systems with high wind penetration. Consequently, models based on one-Weibull component can provide poor characterizations for aggregated wind power generation. With this aim, the present paper focuses on discussing Weibull mixtures to characterize the probability density function (PDF) for aggregated wind power generation. PDFs of wind power datamore » are firstly classified attending to hourly and seasonal patterns. The selection of the number of components in the mixture is analyzed through two well-known different criteria: the Akaike information criterion (AIC) and the Bayesian information criterion (BIC). Finally, the optimal number of Weibull components for maximum likelihood is explored for the defined patterns, including the estimated weight, scale, and shape parameters. Results show that multi-Weibull models are more suitable to characterize aggregated wind power data due to the impact of distributed generation, variety of wind speed values and wind power curtailment.« less

  16. Direct Numerical Simulations of Autoignition in Stratified Dimethyl-ether (DME)/Air Turbulent Mixtures

    SciTech Connect (OSTI)

    Bansal, Gaurav; Mascarenhas, Ajith; Chen, Jacqueline H.

    2014-10-01

    In our paper, two- and three-dimensional direct numerical simulations (DNS) of autoignition phenomena in stratified dimethyl-ether (DME)/air turbulent mixtures are performed. A reduced DME oxidation mechanism, which was obtained using rigorous mathematical reduction and stiffness removal procedure from a detailed DME mechanism with 55 species, is used in the present DNS. The reduced DME mechanism consists of 30 chemical species. This study investigates the fundamental aspects of turbulence-mixing-autoignition interaction occurring in homogeneous charge compression ignition (HCCI) engine environments. A homogeneous isotropic turbulence spectrum is used to initialize the velocity field in the domain. Moreover, the computational configuration corresponds to a constant volume combustion vessel with inert mass source terms added to the governing equations to mimic the pressure rise due to piston motion, as present in practical engines. DME autoignition is found to be a complex three-staged process; each stage corresponds to a distinct chemical kinetic pathway. The distinct role of turbulence and reaction in generating scalar gradients and hence promoting molecular transport processes are investigated. Then, by applying numerical diagnostic techniques, the different heat release modes present in the igniting mixture are identified. In particular, the contribution of homogeneous autoignition, spontaneous ignition front propagation, and premixed deflagration towards the total heat release are quantified.

  17. Measurement of the Melting Point Temperature of Several Lithium-Sodium-Beryllium Fluoride Salt (Flinabe) Mixtures

    SciTech Connect (OSTI)

    McDonald, J.M; Nygren, R.E.; Lutz, T.J.; Tanaka, T.J; Ulrickson, M.A.; Boyle, T.J.; Troncosa, K.P.

    2005-04-15

    The molten salt Flibe, a combination of lithium and beryllium fluorides studied for molten salt fission reactors, has been proposed as a breeder and coolant for fusion applications. The melting points of 2LiF-BeF{sub 2} and LiF-BeF{sub 2} are 460 deg. C and 363 deg. C, but LiF-BeF{sub 2} is rather viscous and has less lithium for breeding. In the Advanced Power Extraction (APEX) Program, concepts with a free flowing liquid for the first wall and blanket were investigated. Flinabe (a mixture of LiF, BeF{sub 2} and NaF) was selected for a molten salt design because a melting temperature below 350 deg. C appeared possible and this provided an attractive operating temperature window for a reactor. To confirm that a ternary salt with a low melting temperature existed, several combinations of the fluoride salts, LiF, NaF and BeF{sub 2}, were melted in a stainless steel crucible under vacuum. One had an apparent melting temperature of 305 deg. C. The test system, preparation of the mixtures, melting procedures and temperature curves for the melting and cooling are presented along with the apparent melting points. Thermal modeling of the salt pool and crucible is reported in an accompanying paper.

  18. A simple correlation to predict the hydrate quadruple point temperature for LPG mixtures

    SciTech Connect (OSTI)

    Yousif, M.H.

    1997-12-31

    A simple correlation to predict the hydrate upper quadruple point temperature, T{sub Q2B} for liquefied petroleum gas (LPG) mixtures was developed. It was developed for use as a part of a modeling and control system for a LPG pipeline in Russia. For performance reasons, a simple hydrate prediction correlation was required that could be incorporated into the real-time and predictive pipeline simulation models. The operating company required both real time and predictive simulation tools be developed to assist in preventing hydrate blockages while minimizing the use of methanol. In this particular pipeline, LPG fluid moves through the pipeline as a single phase liquid above its bubble point pressure. Because of the very low flow rates, the trace amount of water present in the LPG drops out and creates water pools at low points in the pipeline. The pipeline pressure and seasonal temperatures are conducive for hydrate formation in these pools. Methanol and monoethylene glycol (MEG) are injected in the pipeline to help prevent hydrate formation. The newly developed correlation predicts the hydrate quadruple point temperature using only the composition and the molecular weight of the LPG mixture while retaining an accuracy comparable to the statistical thermodynamic models throughout the range of normal operating conditions.

  19. Benchmarking density functionals for hydrogen-helium mixtures with quantum Monte Carlo: Energetics, pressures, and forces

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

    Clay, Raymond C.; Holzmann, Markus; Ceperley, David M.; Morales, Maguel A.

    2016-01-19

    An accurate understanding of the phase diagram of dense hydrogen and helium mixtures is a crucial component in the construction of accurate models of Jupiter, Saturn, and Jovian extrasolar planets. Though DFT based rst principles methods have the potential to provide the accuracy and computational e ciency required for this task, recent benchmarking in hydrogen has shown that achieving this accuracy requires a judicious choice of functional, and a quanti cation of the errors introduced. In this work, we present a quantum Monte Carlo based benchmarking study of a wide range of density functionals for use in hydrogen-helium mixtures atmore » thermodynamic conditions relevant for Jovian planets. Not only do we continue our program of benchmarking energetics and pressures, but we deploy QMC based force estimators and use them to gain insights into how well the local liquid structure is captured by di erent density functionals. We nd that TPSS, BLYP and vdW-DF are the most accurate functionals by most metrics, and that the enthalpy, energy, and pressure errors are very well behaved as a function of helium concentration. Beyond this, we highlight and analyze the major error trends and relative di erences exhibited by the major classes of functionals, and estimate the magnitudes of these e ects when possible.« less

  20. A Universal Method for Fishing Target Proteins from Mixtures of Biomolecules using Isothermal Titration Calorimetry

    SciTech Connect (OSTI)

    Zhou, X.; Sun, Q; Kini, R; Sivaraman, J

    2008-01-01

    The most challenging tasks in biology include the identification of (1) the orphan receptor for a ligand, (2) the ligand for an orphan receptor protein, and (3) the target protein(s) for a given drug or a lead compound that are critical for the pharmacological or side effects. At present, several approaches are available, including cell- or animal-based assays, affinity labeling, solid-phase binding assays, surface plasmon resonance, and nuclear magnetic resonance. Most of these techniques are not easy to apply when the target protein is unknown and the compound is not amenable to labeling, chemical modification, or immobilization. Here we demonstrate a new universal method for fishing orphan target proteins from a complex mixture of biomolecules using isothermal titration calorimetry (ITC) as a tracking tool. We took snake venom, a crude mixture of several hundred proteins/peptides, as a model to demonstrate our proposed ITC method in tracking the isolation and purification of two distinct target proteins, a major component and a minor component. Identities of fished out target proteins were confirmed by amino acid sequencing and inhibition assays. This method has the potential to make a significant advancement in the area of identifying orphan target proteins and inhibitor screening in drug discovery and characterization.

  1. Integrated theoretical and experimental study of the thermophysical properties of fluid mixtures: Annual report

    SciTech Connect (OSTI)

    Haynes, W.M.

    1986-09-01

    The objectives of this research are to assist the fuel and chemical process industries to improve efficiency and thereby reduce the use of energy and feedstocks and to aid them in the utilization of unconventional feedstocks and energy sources. The objectives are satisfied through the following research efforts: (1) development of predictive procedures for the thermophysical properties of fluids and fluid mixtures; (2) basic understanding of fluid behavior with advances in theory; and (3) acquisition of experimental data to support the theoretical and modeling efforts. The following are what we feel are the most significant results of our recent research: accurate, wide-range, and self-consistent PVT and phase equilibria data are essential to the development of theoretically based predictive models for the behavior and properties of fluid mixtures. We have developed experimental techniques to screen and characterize such systems, as well as techniques for analyzing and reporting data for them. We have made significant studies in experimentally and theoretically determining the sensitivity of theoretical models to the effects of hydrogen bonding. We have learned that non-Newtonian behavior is universal and that common assumptions of fluid behavior must be treated with caution. Most importantly, we have learned that the effect of shear on fluid behavior and properties cannot be ignored. 11 refs., 7 figs., 1 tab.

  2. Evaluation of leaching and ecotoxicological properties of sewage sludge-fly ash mixtures

    SciTech Connect (OSTI)

    C.A. Papadimitriou; I. Haritou; P. Samaras; A.I. Zouboulis

    2008-03-15

    The objectives of this work were the evaluation of sewage sludge stabilization by mixing with fly ash, the examination of the physicochemical properties of the produced materials and their leachates and the assessment of their environmental impact by the evaluation of the ecotoxic characteristics. Different ratios of fly ash and sewage sludge (1:1, 1:2, 1:3, 1:6, and 1:9) were mixed for 48 and 72 h. After mixing, the liquid phase of the produced materials was analyzed for total coliforms and Escherichia coli, while the solid residue was dried and tested for the leaching characteristics by the application of TCLP and EN 12457-2 standard leaching methods. Furthermore, the produced leachates were analyzed for their content of specific metals, while their ecotoxicological characteristics were determined by the use of toxicity bioassays, using the marine photobacterium Vibrio fischeri and the crustacean Daphnia magna. The phytotoxicity of sewage sludge-fly ash mixtures was also determined by utilizing seeds of three higher plants (one monocotyl and two dicotyls). The mixtures exhibited low metal leaching in all cases, while the ecotoxic properties increased with the increase of fly ash/sewage sludge ratio. The phytotoxicity testing showed increased root length growth inhibition.

  3. Calculation of combined diffusion coefficients in SF{sub 6}-Cu mixtures

    SciTech Connect (OSTI)

    Zhong, Linlin; Wang, Xiaohua Rong, Mingzhe Wu, Yi; Murphy, Anthony B.

    2014-10-15

    Diffusion coefficients play an important role in the description of the transport of metal vapours in gas mixtures. This paper is devoted to the calculation of four combined diffusion coefficients, namely, the combined ordinary diffusion coefficient, combined electric field diffusion coefficient, combined temperature diffusion coefficient, and combined pressure diffusion coefficient in SF{sub 6}-Cu mixtures at temperatures up to 30 000 K. These four coefficients describe diffusion due to composition gradients, applied electric fields, temperature gradients, and pressure gradients, respectively. The influence of copper fluoride and sulfide species on the diffusion coefficients is shown to be negligible. The effect of copper proportion and gas pressures on these diffusion coefficients is investigated. It is shown that increasing the proportion of copper generally increases the magnitude of the four diffusion coefficients, except for copper mole fractions of 90% or more. It is further found that increasing the pressure reduces the magnitude of the coefficients, except for the combined temperature diffusion coefficient, and shifts the maximum of all four coefficients towards higher temperatures. The results presented in this paper can be applied to the simulation of high-voltage circuit breaker arcs.

  4. Direct Numerical Simulations of Autoignition in Stratified Dimethyl-ether (DME)/Air Turbulent Mixtures

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

    Bansal, Gaurav; Mascarenhas, Ajith; Chen, Jacqueline H.

    2014-10-01

    In our paper, two- and three-dimensional direct numerical simulations (DNS) of autoignition phenomena in stratified dimethyl-ether (DME)/air turbulent mixtures are performed. A reduced DME oxidation mechanism, which was obtained using rigorous mathematical reduction and stiffness removal procedure from a detailed DME mechanism with 55 species, is used in the present DNS. The reduced DME mechanism consists of 30 chemical species. This study investigates the fundamental aspects of turbulence-mixing-autoignition interaction occurring in homogeneous charge compression ignition (HCCI) engine environments. A homogeneous isotropic turbulence spectrum is used to initialize the velocity field in the domain. Moreover, the computational configuration corresponds to amore » constant volume combustion vessel with inert mass source terms added to the governing equations to mimic the pressure rise due to piston motion, as present in practical engines. DME autoignition is found to be a complex three-staged process; each stage corresponds to a distinct chemical kinetic pathway. The distinct role of turbulence and reaction in generating scalar gradients and hence promoting molecular transport processes are investigated. Then, by applying numerical diagnostic techniques, the different heat release modes present in the igniting mixture are identified. In particular, the contribution of homogeneous autoignition, spontaneous ignition front propagation, and premixed deflagration towards the total heat release are quantified.« less

  5. Method and apparatus for controlling fuel/air mixture in a lean burn engine

    DOE Patents [OSTI]

    Kubesh, John Thomas; Dodge, Lee Gene; Podnar, Daniel James

    1998-04-07

    The system for controlling the fuel/air mixture supplied to a lean burn engine when operating on natural gas, gasoline, hydrogen, alcohol, propane, butane, diesel or any other fuel as desired. As specific humidity of air supplied to the lean burn engine increases, the oxygen concentration of exhaust gas discharged by the engine for a given equivalence ratio will decrease. Closed loop fuel control systems typically attempt to maintain a constant exhaust gas oxygen concentration. Therefore, the decrease in the exhaust gas oxygen concentration resulting from increased specific humidity will often be improperly attributed to an excessive supply of fuel and the control system will incorrectly reduce the amount of fuel supplied to the engine. Also, the minimum fuel/air equivalence ratio for a lean burn engine to avoid misfiring will increase as specific humidity increases. A relative humidity sensor to allow the control system to provide a more enriched fuel/air mixture at high specific humidity levels. The level of specific humidity may be used to compensate an output signal from a universal exhaust gas oxygen sensor for changing oxygen concentrations at a desired equivalence ratio due to variation in specific humidity specific humidity. As a result, the control system will maintain the desired efficiency, low exhaust emissions and power level for the associated lean burn engine regardless of the specific humidity level of intake air supplied to the lean burn engine.

  6. Optimizing cellulase mixtures for maximum rate and extent of hydrolysis. Final report

    SciTech Connect (OSTI)

    Walker, L.P.; Wilson, D.B.

    1997-03-01

    Pure Thomomonospora fusca and Trichoderma reesei cellulases and their mixtures were studied to determine the optimal set of cellulases for biomass hydrolysis. The objective was to reduce the cost of cellulase in order to help lower the overall processing cost of the enzymatic conversion of biomass cellulose to sugars, which can then be fermented into fuels and other energy-intensive chemicals. No cellulase mixture was obtained that was much better than the best commercially available preparations. However, the study has greatly increased knowledge of T. fusca cellulases, synergism, and cellulose binding, and provide evidence that future work will produce cellulases with higher activity in degrading crystalline cellulose. T. fusca cellulases may have good industrial potential because: (1) they are compatible with industrial processes that operate at elevated temperatures; (2) they retain 90% of their activity under neutral or basic conditions, which provides a great deal of flexibility in reactor design and operation; and (3) tools are now available to change specific amino acid residues in their catalytic domains and to assess how these changes influence catalysis. 74 refs.

  7. The puzzling first-order phase transition in water–glycerol mixtures

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

    Popov, Ivan; Greenbaum; Sokolov, Alexei P.; Feldman, Yuri

    2015-06-05

    Over the last decade, discussions on a possible liquid-liquid transition (LLT) have strongly intensified. The LLT proposed by several authors focused mostly on explaining the anomalous properties of water in a deeply supercooled state. However, there have been no direct experimental observations yet of LLT in bulk water in the so-called 'no man's land', where water exists only in the crystalline states. Recently, a novel experimental strategy to detect LLT in water has been employed using water-glycerol (W-G) mixtures, because glycerol can generate a strong hindrance for water crystallization. As a result, the observed first-order phase transition at a concentrationmore » of glycerol around c(g) approximate to 20 mol% was ascribed to the LLT. Here we show unambiguously that the first order phase transition in W-G mixtures is caused by the ice formation. We provide additional dielectric measurements, applying specific annealing temperature protocols in order to reinforce this conclusion. We also provide an explanation, why such a phase transition occurs only in the narrow glycerol concentration range. These results clearly demonstrate the danger of analysis of phase-separating liquids to gain better insights into water dynamics. These liquids have complex phase behavior that is affected by temperature, phase stability and segregation, viscosity and nucleation, and finally by crystallization, that might lead to significant misinterpretations.« less

  8. The puzzling first-order phase transition in water–glycerol mixtures

    SciTech Connect (OSTI)

    Popov, Ivan; Greenbaum , Anna; Sokolov, Alexei P.; Feldman, Yuri

    2015-06-05

    Over the last decade, discussions on a possible liquid-liquid transition (LLT) have strongly intensified. The LLT proposed by several authors focused mostly on explaining the anomalous properties of water in a deeply supercooled state. However, there have been no direct experimental observations yet of LLT in bulk water in the so-called 'no man's land', where water exists only in the crystalline states. Recently, a novel experimental strategy to detect LLT in water has been employed using water-glycerol (W-G) mixtures, because glycerol can generate a strong hindrance for water crystallization. As a result, the observed first-order phase transition at a concentration of glycerol around c(g) approximate to 20 mol% was ascribed to the LLT. Here we show unambiguously that the first order phase transition in W-G mixtures is caused by the ice formation. We provide additional dielectric measurements, applying specific annealing temperature protocols in order to reinforce this conclusion. We also provide an explanation, why such a phase transition occurs only in the narrow glycerol concentration range. These results clearly demonstrate the danger of analysis of phase-separating liquids to gain better insights into water dynamics. These liquids have complex phase behavior that is affected by temperature, phase stability and segregation, viscosity and nucleation, and finally by crystallization, that might lead to significant misinterpretations.

  9. DESIGN OF HYBRID POWER GENERATION CYCLES EMPLOYING AMMONIA-WATER-CARBON DIOXIDE MIXTURES

    SciTech Connect (OSTI)

    Ashish Gupta

    2002-06-01

    A power cycle generates electricity from the heat of combustion of fossil fuels. Its efficiency is governed by the cycle configuration, the operating parameters, and the working fluid. Typical. designs use pure water as the fluid. in the last two decades, hybrid cycles based on ammonia-water, and carbon-dioxide mixtures as the working fluid have been proposed. These cycles may improve the power generation efficiency of Rankine cycles by 15%. Improved efficiency is important for two reasons: it lowers the cost of electricity being produced, and by reducing the consumption of fossil fuels per unit power, it reduces the generation of environmental pollutants. The goal of this project is to develop a computational optimization-based method for the design and analysis of hybrid bottoming power cycles to minimize the usage of fossil fuels. The development of this methodology has been achieved by formulating this task as that of selecting the least cost power cycle design from all possible configurations. They employ a detailed thermodynamic property prediction package they have developed under a DOE-FETC grant to model working fluid mixtures. Preliminary results from this work suggest that a pure NH{sub 3} cycle outperforms steam or the expensive Kalina cycle.

  10. Crystallization of synthetic coal-petcoke slag mixtures simulating those encountered in entrained bed slagging gasifiers

    SciTech Connect (OSTI)

    Jinichiro Nakano; Seetharaman Sridhar; Tyler Moss; James Bennett; Kyei-Sing Kwong

    2009-09-15

    Commercial entrained bed slagging gasifiers use a carbon feedstock of coal, petcoke, or combinations of them to produce CO and H{sub 2}. These carbon sources contain mineral impurities that liquefy during gasification and flow down the gasification sidewall, interacting with the refractory linear and solidifying in the cooler zones of the gasifier. Proper slag flow is critical to good gasifier operation. A hot-stage confocal scanning laser microscope (CSLM) was used to analyze the kinetic behavior of slag crystallization for a range of synthetic coal-petcoke mixtures. On the basis of the observed precipitation during cool down studies in the 1200-1700{sup o}C temperature range, a time-temperature-transformation (TTT) diagram was created. The crystallization studies were conducted with a CO/CO{sub 2} (=1.8) corresponding to a gasification PO{sub 2} of approximately 10-8 atm at 1500{sup o}C. Ash chemistries were chosen such that they correspond to coal-petcoke feedstock mixtures with coal ash amounts of 0, 10, 30, 50, 70, and 100% (by weight), with the balance being petcoke ash. The TTT diagram exhibited two crystallization areas, one above and one below 1350{sup o}C. At the nose of the higher temperature curves, karelianite (V{sub 2}O{sub 3}) crystallization occurred and was fastest for a 30% coal-petcoke ash mixture. The second nose was located below 1350{sup o}C and had spinel-type phases that formed at 1200{sup o}C, in which preferred atomic occupation at the octahedral and tetrahedral sites varied depending upon the ash composition. At 1200{sup o}C, an Al-rich spinel formed for 100% coal slag and a Fe-rich spinel formed in petcoke-enriched slags. The addition of petcoke ash to coal ash promoted crystallization in the slag, with additional crystalline phases, such as V-rich spinel, forming at the lower temperatures. These phases were not predicted using commercially available databases. 30 refs., 18 figs.

  11. Thermodynamic properties of isobutane-isopentane mixtures from -40 to +600/sup 0/F and up to 1000 psia

    SciTech Connect (OSTI)

    Gallagher, J.S.; Levelt Sengers, J.M.H.; Morrison, G.; Sengers, J.V.

    1984-07-01

    The Helmholtz function for pure isobutane from a recent correlation has been converted to a dimensionless form and a pressure-enthalpy chart based on this function has been generated by computer. A Helmholtz function for mixtures of isobutane and isopentane has been formed based upon the dimensionless isobutane Helmholtz function as the reference fluid by means of an extended corresponding-states principle. Scarce literature data for saturation properties of isopentane, and new data for its vapor pressure and for the critical line of the mixture were used. The accuracy of the surface was checked by comparing with literature enthalpy data and with new VLE data for the mixture. Tables of thermodynamic properties have been generated from this Helmholtz function for the 0.1 mole fraction isopentane-in-isobutane mixture in the single-phase region and on the dew- and bubble-point curves, together with properties of the coexisting phase. A pressure-enthalpy chart for this mixture has also been generated.

  12. The development and application of the chemical mixture methodology in analysis of potential health impacts from airborne release in emergencies

    SciTech Connect (OSTI)

    Yu, Xiao-Ying; Petrocchi, Achille J.; Craig, Douglas K.; Glantz, Clifford S.; Trott, Donna M.; Ciolek, John T.; Lu, Po-Yung; Bond, Jayne-Anne; Tuccinardi, Thomas E.; Bouslaugh, Philip R.

    2010-07-15

    The Chemical Mixture Methodology (CMM) is used for emergency response and safety planning by the U.S. Department of Energy, its contractors, and other private and public sector organizations. The CMM estimates potential health impacts on individuals and their ability to take protective actions as a result of exposure to airborne chemical mixtures. They are based on the concentration of each chemical in the mixture at a designated receptor location, the protective action criteria (PAC) providing chemical-specific exposure limit values, and the health code numbers (HCNs) that identify the target organ groupings that may be impacted by exposure to each chemical in a mixture. The CMM has been significantly improved since its introduction more than 10 years ago. Major enhancements involve the expansion of the number of HCNs from 44 to 60 and inclusion of updated PAC values based on an improved development methodology and updates in the data used to derive the PAC values. Comparisons between the 1999 and 2009 versions of the CMM show potentially substantial changes in the assessment results for selected sets of chemical mixtures. In particular, the toxic mode hazard indices (HIs) and target organ HIs are based on more refined acute HCNs, thereby improving the quality of chemical consequence assessment, emergency planning, and emergency response decision making. Seven hypothetical chemical storage and processing scenarios are used to demonstrate how the CMM is applied in emergency planning and hazard assessment.

  13. Methodology for Predicting Flammable Gas Mixtures in Double Contained Receiver Tanks [SEC 1 THRU SEC 3

    SciTech Connect (OSTI)

    HEDENGREN, D.C.

    2000-01-31

    This methodology document provides an estimate of the maximum concentrations of flammable gases (ammonia, hydrogen, and methane) which could exist in the vapor space of a double-contained receiver tank (DCRT) from the simultaneous saltwell pumping of one or more single-shell tanks (SSTs). This document expands Calculation Note 118 (Hedengren et a1 1997) and removes some of the conservatism from it, especially in vapor phase ammonia predictions. The methodologies of Calculation Note 118 (Hedengren et a1 1997) are essentially identical for predicting flammable gas mixtures in DCRTs from saltwell pumping for low DCRT ventilation rates, 1e, < 1 cfm. The hydrogen generation model has also been updated in the methodology of this document.

  14. Universal nucleic acids sample preparation method for cells, spores and their mixture

    DOE Patents [OSTI]

    Bavykin, Sergei

    2011-01-18

    The present invention relates to a method for extracting nucleic acids from biological samples. More specifically the invention relates to a universal method for extracting nucleic acids from unidentified biological samples. An advantage of the presently invented method is its ability to effectively and efficiently extract nucleic acids from a variety of different cell types including but not limited to prokaryotic or eukaryotic cells and/or recalcitrant organisms (i.e. spores). Unlike prior art methods which are focused on extracting nucleic acids from vegetative cell or spores, the present invention effectively extracts nucleic acids from spores, multiple cell types or mixtures thereof using a single method. Important that the invented method has demonstrated an ability to extract nucleic acids from spores and vegetative bacterial cells with similar levels effectiveness. The invented method employs a multi-step protocol which erodes the cell structure of the biological sample, isolates, labels, fragments nucleic acids and purifies labeled samples from the excess of dye.

  15. A Hypothetical Burning-Velocity Formula for Very Lean Hydrogen-Air Mixtures

    SciTech Connect (OSTI)

    Williams, Forman; Williams, Forman A; Grcar, Joseph F

    2008-06-30

    Very lean hydrogen-air mixtures experience strong diffusive-thermal types of cellular instabilities that tend to increase the laminar burning velocity above the value that applies to steady, planar laminar flames that are homogeneous in transverse directions. Flame balls constitute an extreme limit of evolution of cellular flames. To account qualitatively for the ultimate effect of diffusive-thermal instability, a model is proposed in which the flame is a steadily propagating, planar, hexagonal, close-packed array of flame balls, each burning as if it were an isolated, stationary, ideal flame ball in an infinite, quiescent atmosphere. An expression for the laminar burning velocity is derived from this model, which theoretically may provide an upper limit for the experimental burning velocity.

  16. Stimulated Raman scattering of laser dye mixtures dissolved in multiple scattering media

    SciTech Connect (OSTI)

    Yashchuk, V P; Komyshan, A O; Tikhonov, E A; Olkhovyk, L A

    2014-10-31

    Stimulated Raman scattering (SRS) of a mixture of rhodamine 6G and pyrromethene 605 laser dyes in vesicular films is studied. It is shown that a peculiar interaction of dyes occurs under conditions of multiple scattering of light from vesicles. This interaction manifests itself as SRS excitation of one of the dyes by random lasing of the other dye, provided that the random lasing spectrum overlaps the Stokes lines of the first dye. In addition, there is energy transfer between molecules of these dyes if their luminescence and absorption spectra overlap. The results obtained confirm that the mechanism of SRS from laser dyes in multiple scattering media is similar to that in coherent-active Raman spectroscopy. These results extend the possibility of determining the vibrational spectrum of dye molecules from their secondary radiation in these media. (nonlinear optical phenomena)

  17. Electrolyte Solvation and Ionic Association. VI. Acetonitrile-Lithium Salt Mixtures. Highly Associated Salts Revisited

    SciTech Connect (OSTI)

    Borodin, Oleg; Han, Sang D.; Daubert, James S.; Seo, D. M.; Yun, Sung-Hyun; Henderson, Wesley A.

    2015-01-14

    Molecular dynamics (MD) simulations of acetonitrile (AN) mixtures with LiBF4, LiCF3SO3 and LiCF3CO2 provide extensive details about the molecular- and mesoscale-level solution interactions and thus explanations as to why these electrolytes have very different thermal phase behavior and electrochemical/physicochemical properties. The simulation results are in full accord with a previous experimental study of these (AN)n-LiX electrolytes. This computational study reveals how the structure of the anions strongly influences the ionic association tendency of the ions, the manner in which the aggregate solvates assemble in solution and the length of time in which the anions remain coordinated to the Li+ cations in the solvates which result in dramatic variations in the transport properties of the electrolytes.

  18. Unbiased free energy estimates in fast nonequilibrium transformations using Gaussian mixtures

    SciTech Connect (OSTI)

    Procacci, Piero

    2015-04-21

    In this paper, we present an improved method for obtaining unbiased estimates of the free energy difference between two thermodynamic states using the work distribution measured in nonequilibrium driven experiments connecting these states. The method is based on the assumption that any observed work distribution is given by a mixture of Gaussian distributions, whose normal components are identical in either direction of the nonequilibrium process, with weights regulated by the Crooks theorem. Using the prototypical example for the driven unfolding/folding of deca-alanine, we show that the predicted behavior of the forward and reverse work distributions, assuming a combination of only two Gaussian components with Crooks derived weights, explains surprisingly well the striking asymmetry in the observed distributions at fast pulling speeds. The proposed methodology opens the way for a perfectly parallel implementation of Jarzynski-based free energy calculations in complex systems.

  19. Adsorption process to recover hydrogen from feed gas mixtures having low hydrogen concentration

    DOE Patents [OSTI]

    Golden, Timothy Christopher; Weist, Jr., Edward Landis; Hufton, Jeffrey Raymond; Novosat, Paul Anthony

    2010-04-13

    A process for selectively separating hydrogen from at least one more strongly adsorbable component in a plurality of adsorption beds to produce a hydrogen-rich product gas from a low hydrogen concentration feed with a high recovery rate. Each of the plurality of adsorption beds subjected to a repetitive cycle. The process comprises an adsorption step for producing the hydrogen-rich product from a feed gas mixture comprising 5% to 50% hydrogen, at least two pressure equalization by void space gas withdrawal steps, a provide purge step resulting in a first pressure decrease, a blowdown step resulting in a second pressure decrease, a purge step, at least two pressure equalization by void space gas introduction steps, and a repressurization step. The second pressure decrease is at least 2 times greater than the first pressure decrease.

  20. Metastable alloy materials produced by solid state reaction of compacted, mechanically deformed mixtures

    DOE Patents [OSTI]

    Atzmon, M.; Johnson, W.L.; Verhoeven, J.D.

    1987-02-03

    Bulk metastable, amorphous or fine crystalline alloy materials are produced by reacting cold-worked, mechanically deformed filamentary precursors such as metal powder mixtures or intercalated metal foils. Cold-working consolidates the metals, increases the interfacial area, lowers the free energy for reaction, and reduces at least one characteristic dimension of the metals. For example, the grains of powder or the sheets of foil are clad in a container to form a disc. The disc is cold-rolled between the nip of rollers to form a flattened disc. The grains are further elongated by further rolling to form a very thin sheet of a lamellar filamentary structure containing filaments having a thickness of less than 0.01 microns. Thus, diffusion distance and time for reaction are substantially reduced when the flattened foil is thermally treated in oven to form a composite sheet containing metastable material dispersed in unreacted polycrystalline material. 4 figs.

  1. Measurement of solubility, viscosity, and density of R-410A refrigerant/lubricant mixtures

    SciTech Connect (OSTI)

    Cavestri, R.C.; Schafer, W.R.

    2000-07-01

    Measurements of the refrigerant vapor/liquid lubricant equilibrium viscosity reduction of four polyolester lubricants, viscosity grades 32 and 68 ISO VG, with the refrigerant R-410A were taken between {minus}13 F and 257 F and up to 700 psia. A high and low miscibility grade polyolester was analyzed for each viscosity. The viscosity, density, and composition of the solubilized gas mixture in solution with the lubricant was obtained with constant gas vapor composition in the viscometer head space. This refrigerant has a very small temperature glide but is considered a zeotropic blend nonetheless. The fractionation data presented were obtained from individual isothermal measurements. The isotherm for each temperature detailed the composition of the equilibrium gas fractionation of R-32 and R-125 in the lubricant, mixed vapor pressure, concentration of the total mixed blend (percent by weight) in the lubricant, and viscosity in centipoise (cP) and centistokes (cSt).

  2. Seeded Growth of Monodisperse Gold Nanorods Using Bromide-Free Surfactant Mixtures

    SciTech Connect (OSTI)

    Ye, XC; Gao, YZ; Chen, J; Reifsnyder, DC; Zheng, C; Murray, CB

    2013-05-01

    We demonstrate for the first time that monodisperse gold nanorods (NRs) with broadly tunable dimensions and longitudinal surface plasmon resonances can be synthesized using a bromide-free surfactant mixture composed of alkyltrimethylammonium chloride and sodium oleate. It is found that uniform gold NRs can be obtained even with an iodide concentration approaching 100 mu M in the growth solution. In contrast to conventional wisdom, our results provide conclusive evidence that neither bromide as the surfactant counterion nor a high concentration of bromide ions in the growth solution is essential for gold NR formation. Correlated electron microscopy study of three-dimensional structures of gold NRs reveals a previously unprecedented octagonal prismatic structure enclosed predominantly by high index {310} crystal planes. These findings should have profound implications for a comprehensive mechanistic understanding of seeded growth of anisotropic metal nanocrystals.

  3. Sulfur dioxide capture in the combustion of mixtures of lime, refuse-derived fuel, and coal

    SciTech Connect (OSTI)

    Churney, K.L.; Buckley, T.J. . Center for Chemical Technology)

    1990-06-01

    Chlorine and sulfur mass balance studies have been carried out in the combustion of mixtures of lime, refuse-derived fuel, and coal in the NIST multikilogram capacity batch combustor. The catalytic effect of manganese dioxide on the trapping of sulfur dioxide by lime was examined. Under our conditions, only 4% of the chlorine was trapped in the ash and no effect of manganese dioxide was observed. Between 42 and 14% of the total sulfur was trapped in the ash, depending upon the lime concentration. The effect of manganese dioxide on sulfur capture was not detectable. The temperature of the ash was estimated to be near 1200{degrees}C, which was in agreement with that calculated from sulfur dioxide capture thermodynamics. 10 refs., 12 figs., 10 tabs.

  4. Characterization of the homogeneous tissue mixture approximation in breast imaging dosimetry

    SciTech Connect (OSTI)

    Sechopoulos, Ioannis; Bliznakova, Kristina; Qin Xulei; Fei Baowei; Feng, Steve Si Jia

    2012-08-15

    Purpose: To compare the estimate of normalized glandular dose in mammography and breast CT imaging obtained using the actual glandular tissue distribution in the breast to that obtained using the homogeneous tissue mixture approximation. Methods: Twenty volumetric images of patient breasts were acquired with a dedicated breast CT prototype system and the voxels in the breast CT images were automatically classified into skin, adipose, and glandular tissue. The breasts in the classified images underwent simulated mechanical compression to mimic the conditions present during mammographic acquisition. The compressed thickness for each breast was set to that achieved during each patient's last screening cranio-caudal (CC) acquisition. The volumetric glandular density of each breast was computed using both the compressed and uncompressed classified images, and additional images were created in which all voxels representing adipose and glandular tissue were replaced by a homogeneous mixture of these two tissues in a proportion corresponding to each breast's volumetric glandular density. All four breast images (compressed and uncompressed; heterogeneous and homogeneous tissue) were input into Monte Carlo simulations to estimate the normalized glandular dose during mammography (compressed breasts) and dedicated breast CT (uncompressed breasts). For the mammography simulations the x-ray spectra used was that used during each patient's last screening CC acquisition. For the breast CT simulations, two x-ray spectra were used, corresponding to the x-ray spectra with the lowest and highest energies currently being used in dedicated breast CT prototype systems under clinical investigation. The resulting normalized glandular dose for the heterogeneous and homogeneous versions of each breast for each modality was compared. Results: For mammography, the normalized glandular dose based on the homogeneous tissue approximation was, on average, 27% higher than that estimated using the

  5. Organic carbon aerogels from the sol-gel polymerization of phenolic-furfural mixtures

    DOE Patents [OSTI]

    Pekala, R.W.

    1998-04-28

    The sol-gel polymerization of a phenolic-furfural mixture in dilute solution leads to a highly cross-linked network that can be supercritically dried to form a high surface area foam. These porous materials have cell/pore sizes {<=}1000 {angstrom}, and although they are dark brown in color, they can be classified as a new type of aerogel. The phenolic-furfural aerogel can be pyrolyzed in an inert atmosphere at 1050 C to produce carbon aerogels. This new aerogel may be used for thermal insulation, chromatographic packing, water filtration, ion-exchange, and carbon electrodes for energy storage devices, such as batteries and double-layer capacitors. 8 figs.

  6. Organic carbon aerogels from the sol-gel polymerization of phenolic-furfural mixtures

    DOE Patents [OSTI]

    Pekala, Richard W.

    1998-04-28

    The sol-gel polymerization of a phenolic-furfural mixture in dilute solution leads to a highly cross-linked network that can be supercritically dried to form a high surface area foam. These porous materials have cell/pore sizes .ltoreq.1000 .ANG., and although they are dark brown in color, they can be classified as a new type of aerogel. The phenolic-furfural aerogel can be pyrolyzed in an inert atmosphere at 1050.degree. C. to produce carbon aerogels. This new aerogel may be used for thermal insulation, chromatographic packing, water filtration, ion-exchange, and carbon electrodes for energy storage devices, such as batteries and double-layer capacitors.

  7. Organic aerogels from the sol-gel polymerization of phenolic-furfural mixtures

    DOE Patents [OSTI]

    Pekala, Richard W.

    1996-01-01

    The sol-gel polymerization of a phenolic-furfural mixture in dilute solution leads to a highly cross-linked network that can be supercritically dried to form a high surface area foam. These porous materials have cell/pore sizes .ltoreq.1000.ANG., and although they are dark brown in color, they can be classified as a new type of aerogel. The phenolic-furfural aerogel can be pyrolyzed in an inert atmosphere at 1050.degree. C. to produce carbon aerogels. This new aerogel may be used for thermal insulation, chromatographic packing, water filtration, ion-exchange, and carbon electrodes for energy storage devices, such as batteries and double-layer capacitors.

  8. Organic aerogels from the sol-gel polymerization of phenolic-furfural mixtures

    DOE Patents [OSTI]

    Pekala, R.W.

    1995-12-19

    The sol-gel polymerization of a phenolic-furfural mixture in dilute solution leads to a highly cross-linked network that can be supercritically dried to form a high surface area foam. These porous materials have cell/pore sizes{<=}1000{angstrom}, and although they are dark brown in color, they can be classified as a new type of aerogel. The phenolic-furfural aerogel can be pyrolyzed in an inert atmosphere at 1050 C to produce carbon aerogels. This new aerogel may be used for thermal insulation, chromatographic packing, water filtration, ion-exchange, and carbon electrodes for energy storage devices, such as batteries and double-layer capacitors. 8 figs.

  9. Organic aerogels from the sol-gel polymerization of phenolic-furfural mixtures

    DOE Patents [OSTI]

    Pekala, Richard W.

    1995-01-01

    The sol-gel polymerization of a phenolic-furfural mixture in dilute solution leads to a highly cross-linked network that can be supercritically dried to form a high surface area foam. These porous materials have cell/pore sizes.ltoreq.1000.ANG., and although they are dark brown in color, they can be classified as a new type of aerogel. The phenolic-furfural aerogel can be pyrolyzed in an inert atmosphere at 1050.degree. C. to produce carbon aerogels. This new aerogel may be used for thermal insulation, chromatographic packing, water filtration, ion-exchange, and carbon electrodes for energy storage devices, such as batteries and double-layer capacitors.

  10. Organic aerogels from the sol-gel polymerization of phenolic-furfural mixtures

    DOE Patents [OSTI]

    Pekala, R.W.

    1996-09-17

    The sol-gel polymerization of a phenolic-furfural mixture in dilute solution leads to a highly cross-linked network that can be supercritically dried to form a high surface area foam. These porous materials have cell/pore sizes {<=}1,000{angstrom}, and although they are dark brown in color, they can be classified as a new type of aerogel. The phenolic-furfural aerogel can be pyrolyzed in an inert atmosphere at 1,050 C to produce carbon aerogels. This new aerogel may be used for thermal insulation, chromatographic packing, water filtration, ion-exchange, and carbon electrodes for energy storage devices, such as batteries and double-layer capacitors. 8 figs.

  11. Mixtures of ions and amphiphilic molecules in slit-like pores: A density functional approach

    SciTech Connect (OSTI)

    Pizio, O.; Rżysko, W. Sokołowski, S.; Sokołowska, Z.

    2015-04-28

    We investigate microscopic structure and thermodynamic properties of a mixture that contains amphiphilic molecules and charged hard spheres confined in slit-like pores with uncharged hard walls. The model and the density functional approach are the same as described in details in our previous work [Pizio et al., J. Chem. Phys. 140, 174706 (2014)]. Our principal focus is in exploring the effects brought by the presence of ions on the structure of confined amphiphilic particles. We have found that for some cases of anisotropic interactions, the change of the structure of confined fluids occurs via the first-order transitions. Moreover, if anions and cations are attracted by different hemispheres of amphiphiles, a charge at the walls appears at the zero value of the wall electrostatic potential. For a given thermodynamic state, this charge is an oscillating function of the pore width.

  12. Performance of winter rape (Brassica napus) based fuel mixtures in diesel engines

    SciTech Connect (OSTI)

    Wagner, G.L.; Peterson, C.L.

    1982-01-01

    Winter rape is well adapted to the Palouse region of Northern Idaho and Eastern Washington. Nearly all of the current US production is grown in this region. Yields of 2200 to 2700 kg/ha with 45 percent oil content are common. Even though present production only 2000 to 2500 ha per year, the long history of production and good yields of oil make winter rape the best potential fuel vegetable oil crop for the region. Winter rape oil is more viscous than sunflower oil (50 cSt at 40/sup 0/C for winter rape and 35 cSt at 40/sup 0/C for sunflower oil) and about 17 times more viscous than diesel. The viscosity of the pure oil has been found too high for operation in typical diesel injector systems. Mixtures and/or additives are essential if the oil is to be a satisfactory fuel. Conversely, the fatty acid composition of witer rape oils is such that it is potentially a more favorable fuel because of reduced rates of oxidation and thermal polymerization. This paper will report on results of short and long term engine tests using winter rape, diesel, and commercial additives as the components. Selection of mixtures for long term screening tests was based on laboratory studies which included high temperature oxidation studies and temperature-viscosity data. Fuel temperature has been monitored at the outlet of the injector nozzle on operating engines so that viscosity comparisons at the actual injector temperature can be made. 1 figure, 3 tables.

  13. The analog of Blanc`s law for drift velocities of electrons in gas mixtures in weakly ionized plasma

    SciTech Connect (OSTI)

    Chiflikian, R.V.

    1995-10-01

    The analog of Blanc`s law for drift velocities of electrons in multicomponent gas mixtures in weakly ionized spatially homogeneous low-temperature plasma is derived. The obtained approximate-analytical expressions are valid for average electron energy in the 1--5 eV range typical for plasma conditions of low-pressure direct current (DC) discharges. The accuracy of these formulas is {plus_minus}5%. The analytical criterion of the negative differential conductivity (NDC) of electrons in binary mixtures of gases is obtained. NDC of electrons is predicted in He:Kr and He:Xe rare gas mixtures. {copyright} {ital 1995} {ital American} {ital Institute} {ital of} {ital Physics}.

  14. Small-angle x-ray scattering measurements of the microstructure of liquid helium mixtures adsorbed in aerogel

    SciTech Connect (OSTI)

    Lurio, L. B.; Mulders, N.; Paetkau, M.; Chan, M. H. W.; Mochrie, S. G. J. [Department of Physics, Northern Illinois University, DeKalb, Illinois 60115 (United States); Department of Physics, University of Delaware, Newark, Delaware 19716 (United States); Department of Physics and Astronomy, Okanagan College, British Columbia V1Y4X8 (Canada); Department of Physics, Pennsylvania State University, University Park, Pennsylvania 16802 (United States); Department of Physics, Yale University, New Haven, Connecticut 06511 (United States)

    2007-07-15

    Small-angle x-ray scattering (SAXS) was used to measure the microstructure of isotopic mixtures of {sup 3}He and {sup 4}He adsorbed into silica aerogels as a function of temperature and {sup 3}He concentration. The SAXS measurements could be well described by the formation of a nearly pure film of {sup 4}He which separates from the bulk mixture onto the aerogel strands and which thickens with decreasing temperature. Previous observations of a superfluid {sup 3}He-rich phase are consistent with superfluidity existing within this film phase. Observed differences between different density aerogels are explained in terms of the depletion of {sup 4}He from the bulk mixture due to film formation.

  15. On stability of self-sustained volume discharge in working mixtures of non-chain electrochemical HF laser

    SciTech Connect (OSTI)

    Belevtsev, A A; Kazantsev, S Yu; Konov, I G; Lebedev, A A; Podlesnykh, S V; Firsov, K N

    2011-08-31

    Burning voltage of a self-sustained volume discharge (SSVD) is studied as a function of the specific energy deposition in SF{sub 5} with C{sub 2}-H{sub 6} and H{sub 2} mixtures, which are working media of a non-chain electrochemical HF laser. It is established that the voltage rises linearly with increasing the specific energy deposition, the relative voltage rise in the SF{sub 6}-C{sub 2}H{sub 6} mixtures being noticeably higher than in pure SF{sub 6} and SF{sub 6}-H{sub 2} mixtures. An assumption is suggested and substantiated on determining the role of molecule dissociation by the electron impact leading to the observed voltage rise. From experimental data we have found approximate energy expenditures of producing dissociation fragments including atomic fluorine in a discharge in pure SF{sub 6}: E-tilde {sub d}(F)= 5{+-}1 eV. The values of E{sub d} well agree with literature data obtained by other experimental methods. A conclusion is drawn that the dissociation process is the main mechanism limiting the current density, which implies SSVD realisation without preliminary gas ionisation in working mixtures of a non-chain HF laser and determines a higher stability of the volume discharge in mixtures of SF{sub 6} with hydrocarbons (deuterocarbons) as compared to mixtures with hydrogen (deuterium). A method is suggested and substantiated for numerical estimation of the limitation effect of the current density and its influence on the SSVD stability. (control of radiation parameters)

  16. Coal fly ash and phospho-gypsum mixture as an amendment to improve rice paddy soil fertility

    SciTech Connect (OSTI)

    Lee, Y.B.; Ha, H.S.; Lee, C.H.; Kim, P.J.

    2008-04-15

    Rice is a plant that requires high levels of silica (Si). As a silicate NOD source to rice, coal fly ash (hereafter, fly ash), which has an alkaline pH and high available silicate and boron (B) contents, was mixed with phosphor-gypsum (hereafter, gypsum, 50%, wt wt{sup -1}), a by-product from the production of phosphate fertilizer, to improve the fly ash limitation. Field experiments were carried out to evaluate the effect of the mixture on soil properties and rice (Oryza sativa) productivity in silt loam (SiL) and loamy sand (LS) soils to which 0 (FG 0), 20 (FG 20), 40 (FG 40), and 60 (FG 60) Mg ha{sup -1} were added. The mixture increased the amount of available silicate and exchangeable calcium (Ca) contents in the soils and the uptake of silicate by rice plant. The mixture did not result in accumulation of heavy metals in soil and an excessive uptake of heavy metals by the rice grain. The available boron content in soil increased with the mixture application levels up to 1.42 mg kg{sup -1} following the application of 60 Mg ha{sup -1} but did not show toxicity. The mixture increased significantly rice yield and showed the highest yields following the addition of 30-40 Mg ha{sup -1} in two soils. It is concluded that the fly ash and gypsum mixture could be a good source of inorganic soil amendments to restore the soil nutrient balance in rice paddy soil.

  17. Use Of Superacids To Digest Chrysotile And Amosite Asbestos In Simple Mixtures Or Matrices Found In Building Materials Compositions

    DOE Patents [OSTI]

    Sugama, Toshifumi; Petrakis, Leon; Webster, Ronald P.

    1999-12-21

    A composition for converting asbestos-containing material to environmentally benign components is provided. The composition comprises a flouro acid decomposing agent which can be applied to either amosite-containing thermal insulation or chrysotile-containing fire-proof material or to any asbestos-containing material which includes of chrysotile and amosite asbestos. The fluoro acid decomposing agent includes FP(O)(OH).sub.2, hexafluorophosphoric acid, a mixture of hydrofluoric and phosphoric acid and a mixture of hexafluorophosphoric acid and phosphoric acid. A method for converting asbestos-containing material to environmentally benign components is also provided

  18. Degradation of polychlorinated biphenyl mixtures in soil using phanerochaete chrysosporium in nutrient rich, non-ligninolytic conditions

    DOE Patents [OSTI]

    Yadav, Jagjit S.; Reddy, Chilekampalli A.; Quensen, John F.; Tiedje, James M.

    2000-01-01

    Substantial degradation of polychlorinated biphenyl (PCB) mixtures is carried out using the white rot fungus Phanerochaete chrysosporium, under nutrient, carbon and nitrogen source rich, non-ligninolytic conditions. The PCBs with various numbers of ortho, meta, and para chlorines were extensively degraded, indicating relative nonspecificity for the position of chlorine substitutions on the biphenyl ring. Maximal degradation of PCBs in a mixture was observed in malt extract medium (18.4% on a molar basis), in which most of the individual PCBs were degraded.

  19. Americium/europium separation by synergistic extraction mixtures of bis-tetrazolyl pyridines with chlorinated cobalt dicarbollide

    SciTech Connect (OSTI)

    Smirnov, I.V.; Babain, V.A.; Chirkov, A.V.

    2008-07-01

    Americium and europium extraction by synergistic mixtures of 2,6-bis(1-aryl-1 H-tetrazol-5-yl)pyridines (ATP) with chlorinated cobalt dicarbollide (CCD) in polar diluents from acidic media was studied. The effect of diluent, composition of aqueous phase, and substituent nature in the aryl ring of ATPs on the extraction efficiency and selectivity of americium and europium separation was investigated. The Am-Eu separation factor was close to 100 at the optimal ratio of ATPs:CCD {approx}1:1 in the synergistic mixture. High resistance of 2,6-bis-aryl-tetrazolyl pyridines to the action of acids and radiolysis was demonstrated. (authors)

  20. Electrochemical cell apparatus having axially distributed entry of a fuel-spent fuel mixture transverse to the cell lengths

    DOE Patents [OSTI]

    Reichner, P.; Dollard, W.J.

    1991-01-08

    An electrochemical apparatus is made having a generator section containing axially elongated electrochemical cells, a fresh gaseous feed fuel inlet, a gaseous feed oxidant inlet, and at least one gaseous spent fuel exit channel, where the spent fuel exit channel passes from the generator chamber to combine with the fresh feed fuel inlet at a mixing apparatus, reformable fuel mixture channel passes through the length of the generator chamber and connects with the mixing apparatus, that channel containing entry ports within the generator chamber, where the axis of the ports is transverse to the fuel electrode surfaces, where a catalytic reforming material is distributed near the reformable fuel mixture entry ports. 2 figures.

  1. Effects of radiation and compression on propagating spherical flames of methane/air mixtures near the lean flammability limit

    SciTech Connect (OSTI)

    Chen, Zheng [State Key Laboratory for Turbulence and Complex Systems, Department of Mechanics and Aerospace Engineering, College of Engineering, Peking University, Beijing 100871 (China)

    2010-12-15

    Large discrepancies between the laminar flame speeds and Markstein lengths measured in experiments and those predicted by simulations for ultra-lean methane/air mixtures bring a great concern for kinetic mechanism validation. In order to quantitatively explain these discrepancies, a computational study is performed for propagating spherical flames of lean methane/air mixtures in different spherical chambers using different radiation models. The emphasis is focused on the effects of radiation and compression. It is found that the spherical flame propagation speed is greatly reduced by the coupling between thermal effect (change of flame temperature or unburned gas temperature) and flow effect (inward flow of burned gas) induced by radiation and/or compression. As a result, for methane/air mixtures near the lean flammability limit, the radiation and compression cause large amounts of under-prediction of the laminar flame speeds and Markstein lengths extracted from propagating spherical flames. Since radiation and compression both exist in the experiments on ultra-lean methane/air mixtures reported in the literature, the measured laminar flame speeds and Markstein lengths are much lower than results from simulation and thus cannot be used for kinetic mechanism validation. (author)

  2. Simulation of toluene decomposition in a pulse-periodic discharge operating in a mixture of molecular nitrogen and oxygen

    SciTech Connect (OSTI)

    Trushkin, A. N.; Kochetov, I. V.

    2012-05-15

    The kinetic model of toluene decomposition in nonequilibrium low-temperature plasma generated by a pulse-periodic discharge operating in a mixture of nitrogen and oxygen is developed. The results of numerical simulation of plasma-chemical conversion of toluene are presented; the main processes responsible for C{sub 6}H{sub 5}CH{sub 3} decomposition are identified; the contribution of each process to total removal of toluene is determined; and the intermediate and final products of C{sub 6}H{sub 5}CH{sub 3} decomposition are identified. It was shown that toluene in pure nitrogen is mostly decomposed in its reactions with metastable N{sub 2}(A{sub 3}{Sigma}{sub u}{sup +}) and N{sub 2}(a Prime {sup 1}{Sigma}{sub u}{sup -}) molecules. In the presence of oxygen, in the N{sub 2} : O{sub 2} gas mixture, the largest contribution to C{sub 6}H{sub 5}CH{sub 3} removal is made by the hydroxyl radical OH which is generated in this mixture exclusively due to plasma-chemical reactions between toluene and oxygen decomposition products. Numerical simulation showed the existence of an optimum oxygen concentration in the mixture, at which toluene removal is maximum at a fixed energy deposition.

  3. Molecular Dynamics Simulations of Tri-n-butyl-phosphate/n-Dodecane Mixture: Thermophysical Properties and Molecular Structure

    SciTech Connect (OSTI)

    de Almeida, Valmor F; Cui, Shengting; Khomami, Bamin

    2014-01-01

    Molecular dynamics simulations of tri-n-butyl-phosphate (TBP)/n-dodecane mixture in the liquid phase have been carried out using two recently developed TBP force field models (J. Phys. Chem. B 2012, 116, 305) in combination with the all-atom optimized potentials for liquid simulations (OPLS-AA) force field model for n-dodecane. Specifically, the electric dipole moment of TBP, mass density of the mixture, and the excess volume of mixing were computed with TBP mole fraction ranging from 0 to 1. It is found that the aforementioned force field models accurately predict the mass density of the mixture in the entire mole fraction range. Commensurate with experimental measurements, the electric dipole moment of the TBP was found to slightly increase with the mole fraction of TBP in the mixture. Also, in accord with experimental data, the excess volume of mixing is positive in the entire mole fraction range, peaking at TBP mole fraction range 0.3 0.5. Finally, a close examination of the spatial pair correlation functions between TBP molecules, and between TBP and n-dodecane molecules, revealed formation of TBP dimers through self-association at close distance, a phenomenon with ample experimental evidence.

  4. PEM fuel cell stack performance using dilute hydrogen mixture. Implications on electrochemical engine system performance and design

    SciTech Connect (OSTI)

    Inbody, M.A.; Vanderborgh, N.E.; Hedstrom, J.C.; Tafoya, J.I.

    1996-12-31

    Onboard fuel processing to generate a hydrogen-rich fuel for PEM fuel cells is being considered as an alternative to stored hydrogen fuel for transportation applications. If successful, this approach, contrasted to operating with onboard hydrogen, utilizes the existing fuels infrastructure and provides required vehicle range. One attractive, commercial liquid fuels option is steam reforming of methanol. However, expanding the liquid methanol infrastructure will take both time and capital. Consequently technology is also being developed to utilize existing transportation fuels, such as gasoline or diesel, to power PEM fuel cell systems. Steam reforming of methanol generates a mixture with a dry gas composition of 75% hydrogen and 25% carbon dioxide. Steam reforming, autothermal reforming, and partial oxidation reforming of C{sub 2} and larger hydrocarbons produces a mixture with a more dilute hydrogen concentration (65%-40%) along with carbon dioxide ({approx}20%) and nitrogen ({approx}10%-40%). Performance of PEM fuel cell stacks on these dilute hydrogen mixtures will affect the overall electrochemical engine system design as well as the overall efficiency. The Los Alamos Fuel Cell Stack Test facility was used to access the performance of a PEM Fuel cell stack over the range of gas compositions chosen to replicate anode feeds from various fuel processing options for hydrocarbon and alcohol fuels. The focus of the experiments was on the anode performance with dilute hydrogen mixtures with carbon dioxide and nitrogen diluents. Performance with other anode feed contaminants, such as carbon monoxide, are not reported here.

  5. Process to prepare stable trifluorostyrene containing compounds grafted to base polymers using a solvent/water mixture

    DOE Patents [OSTI]

    Roelofs, Mark Gerrit; Yang, Zhen-Yu; Han, Amy Qi

    2010-06-15

    A fluorinated ion exchange polymer is prepared by grafting at least one grafting monomer derived from trifluorostyrene on to at least one base polymer in a organic solvent/water mixture. These ion exchange polymers are useful in preparing catalyst coated membranes and membrane electrode assemblies used in fuel cells.

  6. Advanced Systems for Preprocessing and Characterizing Coal-Biomass Mixtures as Next-Generation Fuels and Feedstocks

    SciTech Connect (OSTI)

    Karmis, Michael; Luttrell, Gerald; Ripepi, Nino; Bratton, Robert; Dohm, Erich

    2014-06-30

    The research activities presented in this report are intended to address the most critical technical challenges pertaining to coal-biomass briquette feedstocks. Several detailed investigations were conducted using a variety of coal and biomass feedstocks on the topics of (1) coal-biomass briquette production and characterization, (2) gasification of coal-biomass mixtures and briquettes, (3) combustion of coal-biomass mixtures and briquettes, and (4) conceptual engineering design and economic feasibility of briquette production. The briquette production studies indicate that strong and durable co-firing feedstocks can be produced by co-briquetting coal and biomass resources commonly available in the United States. It is demonstrated that binderless coal-biomass briquettes produced at optimized conditions exhibit very high strength and durability, which indicates that such briquettes would remain competent in the presence of forces encountered in handling, storage and transportation. The gasification studies conducted demonstrate that coal-biomass mixtures and briquettes are exceptional gasification feedstocks, particularly with regard to the synergistic effects realized during devolatilization of the blended materials. The mixture combustion studies indicate that coal-biomass mixtures are exceptional combustion feedstocks, while the briquette combustion study indicates that the use of blended briquettes reduces NO{sub x}, CO{sub 2}, and CO emissions, and requires the least amount of changes in the operating conditions of an existing coal-fired power plant. Similar results were obtained for the physical durability of the pilot-scale briquettes compared to the bench-scale tests. Finally, the conceptual engineering and feasibility analysis study for a commercial-scale briquetting production facility provides preliminary flowsheet and cost simulations to evaluate the various feedstocks, equipment selection and operating parameters.

  7. Stabilized three-stage oxidation of DME/air mixture in a micro flow reactor with a controlled temperature profile

    SciTech Connect (OSTI)

    Oshibe, Hiroshi; Nakamura, Hisashi; Tezuka, Takuya; Hasegawa, Susumu; Maruta, Kaoru

    2010-08-15

    Ignition and combustion characteristics of a stoichiometric dimethyl ether (DME)/air mixture in a micro flow reactor with a controlled temperature profile which was smoothly ramped from room temperature to ignition temperature were investigated. Special attention was paid to the multi-stage oxidation in low temperature condition. Normal stable flames in a mixture flow in the high velocity region, and non-stationary pulsating flames and/or repetitive extinction and ignition (FREI) in the medium velocity region were experimentally confirmed as expected from our previous study on a methane/air mixture. In addition, stable double weak flames were observed in the low velocity region for the present DME/air mixture case. It is the first observation of stable double flames by the present methodology. Gas sampling was conducted to obtain major species distributions in the flow reactor. The results indicated that existence of low-temperature oxidation was conjectured by the production of CH{sub 2}O occured in the upstream side of the experimental first luminous flame, while no chemiluminescence from it was seen. One-dimensional computation with detailed chemistry and transport was conducted. At low mixture velocities, three-stage oxidation was confirmed from profiles of the heat release rate and major chemical species, which was broadly in agreement with the experimental results. Since the present micro flow reactor with a controlled temperature profile successfully presented the multi-stage oxidations as spatially separated flames, it is shown that this flow reactor can be utilized as a methodology to separate sets of reactions, even for other practical fuels, at different temperature. (author)

  8. Acute phytotoxicity of seven metals alone and in mixture: Are Italian soil threshold concentrations suitable for plant protection?

    SciTech Connect (OSTI)

    Baderna, Diego Lomazzi, Eleonora; Pogliaghi, Alberto; Ciaccia, Gianluca; Lodi, Marco; Benfenati, Emilio

    2015-07-15

    Metals can pollute soils in both urban and rural areas with severe impacts on the health of humans, plants and animals living there. Information on metal toxicity is therefore important for ecotoxicology. This study investigated the phytotoxicity of different metals frequently found as pollutants in soils: arsenic, cadmium, chromium, lead, mercury, nickel and zinc. Cucumber (Cucumis sativus), sorghum (Sorghum saccharatum) and cress (Lepidium sativum) seeds were used as models for other plants used in human nutrition such as cereals, rice, fruits and vegetables. The 72-h germination rate and root elongations were selected as short-term ecotoxicological endpoints in seeds exposed to single metals and mixtures. Metals were spiked onto OECD standard soils in concentrations comparable to current Italian contamination threshold concentrations for residential and commercial soils. Arsenic, chromium, mercury and nickel were the most toxic metals in our experimental conditions, particularly to cress seeds (5.172, 152 and 255.4 mg/kg as 72 h IC50 for arsenic, mercury and nickel respectively). Italian limits were acceptable for plant protection only for exposure to each metal alone but not for the mixtures containing all the metals concentrations expected by their respective legislative threshold. The effects of the mixture were class-specific: trends were comparable in dicots but different in monocots. The response induced by the mixture at high concentrations differed from that theoretically obtainable by summing the effects of the individual metals. This might be due to partial antagonism of the metals in soil or to the formation of complexes between the metals, which reduce the bioavailability of the pollutants for plants. - Graphical abstract: Metals investigated: Arsenic, Cadmium, Chromium, Lead, Mercury, Nickel and Zinc. - Highlights: • The short-term phytotoxicity of seven metals was investigated with 3 higher plants. • Italian limits for arsenic and nickel in

  9. Link between hopping models and percolation scaling laws for charge transport in mixtures of small molecules

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

    Ha, Dong -Gwang; Kim, Jang -Joo; Baldo, Marc A.

    2016-04-29

    Mixed host compositions that combine charge transport materials with luminescent dyes offer superior control over exciton formation and charge transport in organic light emitting devices (OLEDs). Two approaches are typically used to optimize the fraction of charge transport materials in a mixed host composition: either an empirical percolative model, or a hopping transport model. We show that these two commonly-employed models are linked by an analytic expression which relates the localization length to the percolation threshold and critical exponent. The relation is confirmed both numerically and experimentally through measurements of the relative conductivity of Tris(4-carbazoyl-9-ylphenyl) amine (TCTA) :1,3-bis(3,5-dipyrid-3-yl-phenyl) benzene (BmPyPb)more » mixtures with different concentrations, where the TCTA plays a role as hole conductor and the BmPyPb as hole insulator. Furthermore, the analytic relation may allow the rational design of mixed layers of small molecules for high-performance OLEDs.« less

  10. The production of carbon nanofibers and thin films on palladium catalysts from ethylene oxygen mixtures

    SciTech Connect (OSTI)

    Phillips, Jonathan; Doorn, Stephen; Atwater, Mark; Leseman, Zayd; Luhrs, Claudia C; Diez, Yolanda F; Diaz, Angel M

    2009-01-01

    The characteristics of carbonaceous materials deposited in fuel rich ethylene-oxygen mixtures on three types of palladium: foil, sputtered film, and nanopowder, are reported. It was found that the form of palladium has a dramatic influence on the morphology of the deposited carbon. In particular, on sputtered film and powder, tight 'weaves' of sub-micron filaments formed quickly. In contrast, on foils under identical conditions, the dominant morphology is carbon thin films with basal planes oriented parallel to the substrate surface. Temperature, gas flow rate, reactant flow ratio (C2H4:02), and residence time (position) were found to influence both growth rate and type for all three forms of Pd. X-ray diffraction, high-resolution transmission electron microscopy, temperature-programmed oxidation, and Raman spectroscopy were used to assess the crystallinity of the as-deposited carbon, and it was determined that transmission electron microscopy and x-ray diffraction were the most reliable methods for determining crystallinity. The dependence of growth on reactor position, and the fact that no growth was observed in the absence of oxygen support the postulate that the carbon deposition proceeds by combustion generated radical species.

  11. Method of extracting iodine from liquid mixtures of iodine, water and hydrogen iodide

    DOE Patents [OSTI]

    Mysels, Karol J.

    1979-01-01

    The components of a liquid mixture consisting essentially of HI, water and at least about 50 w/o iodine are separated in a countercurrent extraction zone by treating with phosphoric acid containing at least about 90 w/o H.sub.3 PO.sub.4. The bottom stream from the extraction zone is substantially completely molten iodine, and the overhead stream contains water, HI, H.sub.3 PO.sub.4 and a small fraction of the amount of original iodine. When the water and HI are present in near-azeotropic proportions, there is particular advantage in feeding the overhead stream to an extractive distillation zone wherein it is treated with additional concentrated phosphoric acid to create an anhydrous HI vapor stream and bottoms which contain at least about 85 w/o H.sub.3 PO.sub.4. Concentration of these bottoms provides phosphoric acid infeed for both the countercurrent extraction zone and for the extractive distillation zone.

  12. Metastable alloy materials produced by solid state reaction of compacted, mechanically deformed mixtures

    DOE Patents [OSTI]

    Atzmon, Michael (Herzlia, IL); Johnson, William L. (Pasadena, CA); Verhoeven, John D. (Ames, IA)

    1987-01-01

    Bulk metastable, amorphous or fine crystalline alloy materials are produced by reacting cold-worked, mechanically deformed filamentary precursors such as metal powder mixtures or intercalated metal foils. Cold-working consolidates the metals, increases the interfacial area, lowers the free energy for reaction, and reduces at least one characteristic dimension of the metals. For example, the grains (13) of powder or the sheets of foil are clad in a container (14) to form a disc (10). The disc (10) is cold-rolled between the nip (16) of rollers (18,20) to form a flattened disc (22). The grains (13) are further elongated by further rolling to form a very thin sheet (26) of a lamellar filamentary structure (FIG. 4) containing filaments having a thickness of less than 0.01 microns. Thus, diffusion distance and time for reaction are substantially reduced when the flattened foil (28) is thermally treated in oven (32) to form a composite sheet (33) containing metastable material (34) dispersed in unreacted polycrystalline material (36).

  13. Radiolysis and Ageing of C2-BTP in Cinnamaldehyde/Hexanol Mixtures

    SciTech Connect (OSTI)

    Fermvik, Anna; Ekberg, Christian; Retegan, Teodora; Skarnemark, Gunnar

    2007-07-01

    The separation of actinides from lanthanides is an important step in the alternative methods for nuclear waste treatment currently under development. Polycyclic molecules containing nitrogen are synthesised and used for solvent extraction. A potential problem in the separation process is the degradation of the molecule due to irradiation or ageing. An addition of nitrobenzene has proved to have an inhibitory effect on degradation when added to a system containing C2-BTP in hexanol before irradiation. In this study, 2,6-di(5,6-diethyl-1,2,4-triazine-3-yl)pyridine (C2-BTP) was dissolved in different mixtures of cinnamaldehyde and hexanol and the effects on extraction after ageing and irradiation were investigated. Similar to nitrobenzene, cinnamaldehyde contains an aromatic ring which generally has a relatively high resistance towards radiolysis. Both C2-BTP in cinnamaldehyde and C2-BTP in hexanol seem to degrade with time. The system with C2-BTP in pure hexanol is relatively stable up to 17 days but then starts slowly to degrade. The solution with pure cinnamaldehyde as diluent started to degrade after only {approx}20 hours. The opposite is true for degradation caused by radiolysis; hexanol systems are more sensitive to radiolysis than cinnamaldehyde systems. Most of the radiolytic degradation took place during the first days of irradiation, up to a dose of 4 kGy. (authors)

  14. Torsional rheometer for granular materials slurries and gas-solid mixtures and related methods

    DOE Patents [OSTI]

    Rajagopal, C.; Rajagopal, K.R.; Yalamanchili, R.C.

    1997-03-11

    A torsional rheometer apparatus for determining rheological properties of a specimen is provided. A stationary plate and a rotatable plate are in generally coaxial position and structured to receive a specimen there between. In one embodiment, at least one of the plates and preferably both have roughened specimen engaging surfaces to serve to reduce undesired slippage between the plate and the specimen. A motor is provided to rotate the rotatable plate and a transducer for monitoring forces applied to the stationary plate and generating output signals to a computer which determines the desired rheological properties are provided. In one embodiment, the roughened surfaces consist of projections extending toward the specimen. Where granular material is being evaluated, it is preferred that the roughness of the plate is generally equal to the average size of the granular material being processed. In another embodiment, an air-solid mixture is processed and the roughened portions are pore openings in the plates. Air flows through the region between the two pore containing plates to maintain the solid materials in suspension. In yet another embodiment, the base of the stationary plate is provided with a deformable capacitance sensor and associated electronic means. 17 figs.

  15. Torsional rheometer for granular materials slurries and gas-solid mixtures and related methods

    DOE Patents [OSTI]

    Rajagopal, Chandrika; Rajagopal, Kumbakonam R.; Yalamanchili, Rattaya C.

    1997-01-01

    A torsional rheometer apparatus for determining rheological properties of a specimen is provided. A stationary plate and a rotatable plate are in generally coaxial position and structured to receive a specimen therebetween. In one embodiment, at least one of the plates and preferably both have roughened specimen engaging surfaces to serve to reduce undesired slippage between the plate and the specimen. A motor is provided to rotate the rotatable plate and a transducer for monitoring forces applied to the stationary plate and generating output signals to a computer which determines the desired rheological properties are provided. In one embodiment, the roughened surfaces consist of projections extending toward the specimen. Where granular material is being evaluated, it is preferred that the roughness of the plate is generally equal to the average size of the granular material being processed. In another embodiment, an air-solid mixture is processed and the roughened portions are pore openings in the plates. Air flows through the region between the two pore containing plates to maintain the solid materials in suspension. In yet another embodiment, the base of the stationary plate is provided with a deformable capacitance sensor and associated electronic means.

  16. Nuclear Criticality Control and Safety of Plutonium-Uranium Fuel Mixtures Outside Reactors

    SciTech Connect (OSTI)

    Biswas, D; Mennerdahl, D

    2008-06-23

    The ANSI/ANS 8.12 standard was first approved in July 1978. At that time, this edition was applicable to operations with plutonium-uranium oxide (MOX) fuel mixtures outside reactors and was limited to subcritical limits for homogeneous systems. The next major revision, ANSI/ANS-8.12-1987, included the addition of subcritical limits for heterogeneous systems. The standard was subsequently reaffirmed in February 1993. During late 1990s, substantial work was done by the ANS 8.12 Standard Working Group to re-examine the technical data presented in the standard using the latest codes and cross section sets. Calculations performed showed good agreement with the values published in the standard. This effort resulted in the reaffirmation of the standard in March 2002. The standard is currently in a maintenance mode. After 2002, activities included discussions to determine the future direction of the standard and to follow the MOX standard development by the International Standard Organization (ISO). In 2007, the Working Group decided to revise the standard to extend the areas of applicability by providing a wider range of subcritical data. The intent is to cover a wider domain of MOX fuel fabrication and operations. It was also decided to follow the ISO MOX standard specifications (related to MOX density and isotopics) and develop a new set of subcritical limits for homogeneous systems. This has resulted in the submittal (and subsequent approval) of the project initiation notification system form (PINS) in 2007.

  17. Ultrapyrolytic upgrading of plastic wastes and plastics/heavy oil mixtures to valuable light gas products

    SciTech Connect (OSTI)

    Lovett, S.; Berruti, F.; Behie, L.A.

    1997-11-01

    Viable operating conditions were identified experimentally for maximizing the production of high-value products such as ethylene, propylene, styrene, and benzene, from the ultrapyrolysis of waste plastics. Using both a batch microreactor and a pilot-plant-sized reactor, the key operating variables considered were pyrolysis temperature, product reaction time, and quench time. In the microreactor experiments, polystyrene (PS), a significant component of waste plastics, was pyrolyzed at temperatures ranging from 800 to 965 C, with total reaction times ranging from 500 to 1,000 ms. At a temperature of 965 C and 500 ms, the yields of styrene plus benzene were greater than 95 wt %. In the pilot-plant experiments, the recently patented internally circulating fluidized bed (ICFB) reactor (Milne et al., US Patent Number 5,370,789, 1994b) was used to ultrapyrolyze low-density polyethylene (LDPE) in addition to LDPE (5% by weight)/heavy oil mixtures at a residence time of 600 ms. Both experiments produced light olefin yields greater than 55 wt % at temperatures above 830 C.

  18. DETERMINATION OF SOLID-LIQUID EQUILIBRIA DATA FOR MIXTURES OF HEAVY HYDROCARBONS IN A LIGHT SOLVENT

    SciTech Connect (OSTI)

    F.V. Hanson; J.V. Fletcher; Karthik R.

    2003-06-01

    A methodology was developed using an FT-IR spectroscopic technique to obtain solid-liquid equilibria (SLE) data for mixtures of heavy hydrocarbons in significantly lighter hydrocarbon diluents. SLE was examined in multiple Model Oils that were assembled to simulate waxes. The various Model oils were comprised of C-30 to C-44 hydrocarbons in decane. The FT-IR technique was used to identify the wax precipitation temperature (WPT). The DSC technique was also used in the identification of the onset of the two-phase equilibrium in this work. An additional Model oil made up of C-20 to C-30 hydrocarbons in decane was studied using the DSC experiment. The weight percent solid below the WPT was calculated using the FT-IR experimental results. The WPT and the weight percent solid below the WPT were predicted using an activity coefficient based thermodynamic model. The FT-IR spectroscopy method is found to successfully provide SLE data and also has several advantages over other laboratory-based methods.

  19. Challenges in Determining the Isotopic Mixture for the Fukushima Daiichi Nuclear Power Plant

    SciTech Connect (OSTI)

    Shanks, Arthur; Fournier, Sean; Shanks, Sonoya

    2012-05-01

    As part of the United States response to the Fukushima Daiichi Nuclear Power Plant emergency, the National Nuclear Security Administration (NNSA) Consequence Management (CM) Teams were activated with elements deploying to Japan. The NNSA CM teams faced the urgent need for information regarding the potential radiological doses that citizens of might experience. This paper discusses the challenges and lessons learned associated with the analysis of field collected samples and gamma spectra in an attempt to determine the isotopic mixture present on the ground around the Plant. There were several interesting and surprising lessons to be learned from the sample analysis portion of the response. The paper discusses several elements of the response that were unique to the event occurring in Japan, as well as several elements that would have occurred in a U.S. nuclear reactor event. Sections of this paper address details of the specific analytical challenges faced during the efforts to analyze samples and try to understand the overall release source term.

  20. Separation of gas mixtures by supported complexes. Final report, 1 October 1982-30 September 1984

    SciTech Connect (OSTI)

    Nelson, D.A.; Hallen, R.T.; Lilga, M.A.

    1985-01-01

    This final report covers research performed to identify and demonstrate advantageous procedures for the chemical separation of gases, such as CO, CO/sub 2/, and H/sub 2/, from medium-Btu gas mixtures by use of supported complexes. Three complexes were chosen for rapid gas uptake and selectivity at 25/sup 0/C from among a group of 22 coordination complexes synthesized during this program. The three complexes showed considerable selectivity toward individual gases. For instance, Pd/sub 2/(dpm)/sub 2/Cl/sub 2/ or bis-..mu..-(bisdiphenylphosphinomethane)-dichlorodipalladium (Pd-Pd), rapidly bound carbon monoxide from solution. This complex could be regenerated, with the carbon monoxide reversibly removed, by warming to 40/sup 0/C. The presence of other gases, such as carbon dioxide, oxygen, nitrogen, hydrogen, ethylene, or acetylene, had no effect upon the rapid uptake of carbon monoxide or its removal. Such selectivity was also noted with Ru(CO)/sub 2/(PPh/sub 3/)/sub 3/, biscarbonyltris(triphenylphosphine)ruthenium. Although this complex bound hydrogen, carbon monoxide, and oxygen in solution, the hydrogen was taken up twice as fast as carbon monoxide and seven times faster than oxygen. These gases could be removed from the complex with mild heat or decreased pressure. Crystalline Rh(OH)(CO)(PPh/sub 3/)/sub 2/, hydroxocarbonylbis(triphenylphosphine)rhodium, rapidly bound carbon dioxide; the complex was regenerated at 50/sup 0/C under reduced pressure. The rapid uptake of carbon dioxide by this complex was not changed in the presence of oxygen. In general the three selected crystalline or solvent dissolved complexes performed well in the absence of polymeric support. The stability and favorable kinetics of the three complexes suggest that they could be utilized in a solution system for gas separation (Conceptual Analyses and Preliminary Economics). Further, these complexes appear to be superb candidates as transport agents for facilitated-transport, membrane systems

  1. Developmental exposure to a commercial PBDE mixture, DE-71: neurobehavioral, hormonal, and reproductive effects.

    SciTech Connect (OSTI)

    Kodavanti, Prasada; Coburn, Cary; Moser, Virginia; MacPhail, Robert; Fenton, Suzanne; Stoker, Tammy; Birnbaum, Linda

    2010-06-01

    Developmental effects of polybrominated diphenyl ethers (PBDEs) have been suspected due to their structural similarities to polychlorinated biphenyls (PCBs). This study evaluated neurobehavioral, hormonal, and reproductive effects in rat offspring perinatally exposed to a widely used pentabrominated commercial mixture, DE-71. Pregnant Long-Evans rats were exposed to 0, 1.7, 10.2, or 30.6 mg/kg/day DE-71 in corn oil by oral gavage from gestational day 6 to weaning. DE-71 did not alter maternal or male offspring body weights. However, female offspring were smaller compared with controls from postnatal days (PNDs) 35-60. Although several neurobehavioral endpoints were assessed, the only statistically significant behavioral finding was a dose-by-age interaction in the number of rears in an open-field test. Developmental exposure to DE-71 caused severe hypothyroxinemia in the dams and early postnatal offspring. DE-71 also affected anogenital distance and preputial separation in male pups. Body weight gain over time, reproductive tissue weights, and serum testosterone concentrations at PND 60 were not altered. Mammary gland development of female offspring was significantly affected at PND 21. Congener-specific analysis of PBDEs indicated accumulation in all tissues examined. Highest PBDE concentrations were found in fat including milk, whereas blood had the lowest concentrations on a wet weight basis. PBDE concentrations were comparable among various brain regions. Thus, perinatal exposure to DE-71 leads to accumulation of PBDE congeners in various tissues crossing blood-placenta and blood-brain barriers, causing subtle changes in some parameters of neurobehavior and dramatic changes in circulating thyroid hormone levels, as well as changes in both male and female reproductive endpoints. Some of these effects are similar to those seen with PCBs, and the persistence of these changes requires further investigation.

  2. Hydrophobic hydration and the anomalous partial molar volumes in ethanol-water mixtures

    SciTech Connect (OSTI)

    Tan, Ming-Liang; Te, Jerez; Cendagorta, Joseph R.; Miller, Benjamin T.; Brooks, Bernard R.; Ichiye, Toshiko

    2015-02-14

    The anomalous behavior in the partial molar volumes of ethanol-water mixtures at low concentrations of ethanol is studied using molecular dynamics simulations. Previous work indicates that the striking minimum in the partial molar volume of ethanol V{sub E} as a function of ethanol mole fraction X{sub E} is determined mainly by water-water interactions. These results were based on simulations that used one water model for the solute-water interactions but two different water models for the water-water interactions. This is confirmed here by using two more water models for the water-water interactions. Furthermore, the previous work indicates that the initial decrease is caused by association of the hydration shells of the hydrocarbon tails, and the minimum occurs at the concentration where all of the hydration shells are touching each other. Thus, the characteristics of the hydration of the tail that cause the decrease and the features of the water models that reproduce this type of hydration are also examined here. The results show that a single-site multipole water model with a charge distribution that mimics the large quadrupole and the p-orbital type electron density out of the molecular plane has “brittle” hydration with hydrogen bonds that break as the tails touch, which reproduces the deep minimum. However, water models with more typical site representations with partial charges lead to flexible hydration that tends to stay intact, which produces a shallow minimum. Thus, brittle hydration may play an essential role in hydrophobic association in water.

  3. Electron drift velocities in He and water mixtures: Measurements and an assessment of the water vapour cross-section sets

    SciTech Connect (OSTI)

    Urquijo, J. de; Juárez, A. M.; Basurto, E.; Ness, K. F.; Robson, R. E.; White, R. D.; Brunger, M. J.

    2014-07-07

    The drift velocity of electrons in mixtures of gaseous water and helium is measured over the range of reduced electric fields 0.1–300 Td using a pulsed-Townsend technique. Admixtures of 1% and 2% water to helium are found to produce negative differential conductivity (NDC), despite NDC being absent from the pure gases. The measured drift velocities are used as a further discriminative assessment on the accuracy and completeness of a recently proposed set of electron-water vapour cross-sections [K. F. Ness, R. E. Robson, M. J. Brunger, and R. D. White, J. Chem. Phys. 136, 024318 (2012)]. A refinement of the momentum transfer cross-section for electron-water vapour scattering is presented, which ensures self-consistency with the measured drift velocities in mixtures with helium to within approximately 5% over the range of reduced fields considered.

  4. Electrochemical cell apparatus having axially distributed entry of a fuel-spent fuel mixture transverse to the cell lengths

    DOE Patents [OSTI]

    Reichner, Philip; Dollard, Walter J.

    1991-01-01

    An electrochemical apparatus (10) is made having a generator section (22) containing axially elongated electrochemical cells (16), a fresh gaseous feed fuel inlet (28), a gaseous feed oxidant inlet (30), and at least one gaseous spent fuel exit channel (46), where the spent fuel exit channel (46) passes from the generator chamber (22) to combine with the fresh feed fuel inlet (28) at a mixing apparatus (50), reformable fuel mixture channel (52) passes through the length of the generator chamber (22) and connects with the mixing apparatus (50), that channel containing entry ports (54) within the generator chamber (22), where the axis of the ports is transverse to the fuel electrode surfaces (18), where a catalytic reforming material is distributed near the reformable fuel mixture entry ports (54).

  5. On the thermal neutron transport processes in liquid H/sub 2/O-D/sub 2/O mixtures

    SciTech Connect (OSTI)

    Barnsal, R.M.; Tewari, S.P.

    1983-06-01

    Using the recently developed thermal neutron scattering kernels for water and heavy water, which incorporate both the collective and the molecular modes present in water and heavy water, the thermal neutron transport studies of asymptotic decay constants lambda/sub 0/, diffusion coefficient D/sub 0/, diffusion cooling coefficient C, and the transport mean-free-path lambda /SUB tr/ are studied for liquid H/sub 2/O-D/sub 2/O mixtures with varying molecular contents and for various assembly sizes at 21 and 5/sup 0/C. The calculated values of the physical constants, lambda/sub 0/, D/sub 0/, C, and lambda /SUB tr/ are found to be in good agreement with the corresponding experimental results. Both the collective motion and the molecular modes present in the liquid H/sub 2/O-D/sub 2/O mixtures play significant roles in the thermal neutron transport processes.

  6. Electrorefining process and apparatus for recovery of uranium and a mixture of uranium and plutonium from spent fuels

    DOE Patents [OSTI]

    Ackerman, J.P.; Miller, W.E.

    1987-11-05

    An electrorefining process and apparatus for the recovery of uranium and a mixture of uranium and plutonium from spent fuels is disclosed using an electrolytic cell having a lower molten cadmium pool containing spent nuclear fuel, an intermediate electrolyte pool, an anode basket containing spent fuels, two cathodes and electrical power means connected to the anode basket, cathodes and lower molten cadmium pool for providing electrical power to the cell. Using this cell, additional amounts of uranium and plutonium from the anode basket are dissolved in the lower molten cadmium pool, and then purified uranium is electrolytically transported and deposited on a first molten cadmium cathode. Subsequently, a mixture of uranium and plutonium is electrotransported and deposited on a second cathode. 3 figs.

  7. Electrorefining process and apparatus for recovery of uranium and a mixture of uranium and plutonium from spent fuels

    DOE Patents [OSTI]

    Ackerman, John P.; Miller, William E.

    1989-01-01

    An electrorefining process and apparatus for the recovery of uranium and a mixture of uranium and plutonium from spent fuel using an electrolytic cell having a lower molten cadmium pool containing spent nuclear fuel, an intermediate electrolyte pool, an anode basket containing spent fuel, and two cathodes, the first cathode composed of either a solid alloy or molten cadmium and the second cathode composed of molten cadmium. Using this cell, additional amounts of uranium and plutonium from the anode basket are dissolved in the lower molten cadmium pool, and then substantially pure uranium is electrolytically transported and deposited on the first alloy or molten cadmium cathode. Subsequently, a mixture of uranium and plutonium is electrotransported and deposited on the second molten cadmium cathode.

  8. Currently used pesticides and their mixtures affect the function of sex hormone receptors and aromatase enzyme activity

    SciTech Connect (OSTI)

    Kjeldsen, Lisbeth Stigaard; Ghisari, Mandana; Bonefeld-Jørgensen, Eva Cecilie

    2013-10-15

    The endocrine-disrupting potential of pesticides is of health concern, since they are found ubiquitously in the environment and in food items. We investigated in vitro effects on estrogen receptor (ER) and androgen receptor (AR) transactivity, and aromatase enzyme activity, of the following pesticides: 2-methyl-4-chlorophenoxyacetic acid (MCPA), terbuthylazine, iodosulfuron-methyl-sodium, mesosulfuron-methyl, metsulfuron-methyl, chlormequat chloride, bitertanol, propiconazole, prothioconazole, mancozeb, cypermethrin, tau fluvalinate, malathion and the metabolite ethylene thiourea (ETU). The pesticides were analyzed alone and in selected mixtures. Effects of the pesticides on ER and AR function were assessed in human breast carcinoma MVLN cells and hamster ovary CHO-K1 cells, respectively, using luciferase reporter gene assays. Effects on aromatase enzyme activity were analyzed in human choriocarcinoma JEG-3 cells, employing the classical [{sup 3}H]{sub 2}O method. Five pesticides (terbuthylazine, propiconazole, prothioconazole, cypermethrin and malathion) weakly induced the ER transactivity, and three pesticides (bitertanol, propiconazole and mancozeb) antagonized the AR activity in a concentration-dependent manner. Three pesticides (terbuthylazine, propiconazole and prothioconazole) weakly induced the aromatase activity. In addition, two mixtures, consisting of three pesticides (bitertanol, propiconazole, cypermethrin) and five pesticides (terbuthylazine, bitertanol, propiconazole, cypermethrin, malathion), respectively, induced the ER transactivity and aromatase activity, and additively antagonized the AR transactivity. In conclusion, our data suggest that currently used pesticides possess endocrine-disrupting potential in vitro which can be mediated via ER, AR and aromatase activities. The observed mixture effects emphasize the importance of considering the combined action of pesticides in order to assure proper estimations of related health effect risks

  9. American National Standard ANSI/ANS-8.12-1987: Criticality Control of Plutonium-Uranium Mixtures

    SciTech Connect (OSTI)

    Shaeffer, M.K.; Keeton, S.C.

    2000-06-13

    American National Standard ANSI/ANS-8.12-1987 (Ref. 1) was approved for use on September 11, 1987, The history of the development of the standard is discussed in Ref. 2. The first version of this standard, which included subcritical limits only on homogeneous plutonium-uranium fuel mixtures, was approved July 17, 1978. The current version was revised to add limits on heterogeneous systems (Ref., 3). This paper provides additional information on the limits presented in the standard.

  10. Method of and apparatus for measuring the mean concentration of thoron and/or radon in a gas mixture

    DOE Patents [OSTI]

    Lucas, Henry

    1990-01-01

    A method of and an apparatus for detecting and accurately measuring the mean concentrations of .sup.222 Rn and .sup.220 Tn in a gas mixture, such as the ambient atmosphere in a mine, is provided. The apparatus includes an alpha target member which defines at least one operative target surface and which is preferably fabricated from a single piece of an alpha particle sensitive material. At least one portion of the operative target surface is covered with an alpha particle filter. The uncovered and filter covered operative surface is exposed to the gas mixture containing the .sup.222 Rn and .sup.220 Tn. In the radioactive decay series of these isotopes the maximum kinetic energy emitted by the alpha decay of .sup.222 Rn is about 1.1 MeV less than the maximum kinetic energy emitted by the alpha decay of a .sup.220 Tn. The alpha particle filter has a predetermined mass per unit area of the covered portion of the operative target surface that prevents penetration of alpha particles which originate from .sup.222 Rn decay, but which allows passage therethrough of the maximum kinetic energy alpha particles from .sup.220 Tn decay. Thus, a count of the alpha particle tracks in the uncovered portion of the target member is proportional to the mean concentration of sum of .sup.222 Rn and .sup.220 Tn in the gas mixture, while the count of alpha tracks in the target member under the filter is proportional to the concentration of only the .sup.220 Tn in the gas mixture.

  11. Preliminary safe-handling experiments on a mixture of cesium nickel ferrocyanide and equimolar sodium nitrate/nitrite

    SciTech Connect (OSTI)

    Scheele, R.D. ); Cady, H.H. )

    1992-01-01

    As part of the Hanford Site's evaluation of the potential hazards associated with the storage of ferrocyanide wastes generated when ferrocyanide was used to scavenge radiocesium from waste supernates in the 1950s, the Pacific Northwest Laboratory (PNL) subcontracted with Los Alamos National Laboratory (LANL) to perform a series of sensitivity tests. These test supplement PNL's thermal sensitivity testing results on the reactivity of cesium nickel ferrocyanide (Cs{sub 2}NiFe(CN){sub 6}) and nitrates and nitrites (Burger and Schelle 1991). LANL used a selected set of their standard tests to determine the sensitivity of a mixture of Cs{sub 2}NiFe(CN){sub 6} (FECN-1) and equimolar sodium nitrate and nitrite oxidant to nonthermal and thermal stimuli. The stoichiometric ratio of oxidant to Cs{sub 2}NiFe(CN){sub 6} in the tested mixture FECN-1 was 1.1:1. The appendix presents the results of the LANL testing of the sensitivity of FECN-1 to initiation by mechanical impact, spark, friction, and various thermal conditions. In addition to the sensitivity testing, LANL used an Accelerating Rate Calorimeter (ARC) to estimate the behavior of large batches of the mixture.

  12. Preliminary safe-handling experiments on a mixture of cesium nickel ferrocyanide and equimolar sodium nitrate/nitrite

    SciTech Connect (OSTI)

    Scheele, R.D.; Cady, H.H.

    1992-01-01

    As part of the Hanford Site`s evaluation of the potential hazards associated with the storage of ferrocyanide wastes generated when ferrocyanide was used to scavenge radiocesium from waste supernates in the 1950s, the Pacific Northwest Laboratory (PNL) subcontracted with Los Alamos National Laboratory (LANL) to perform a series of sensitivity tests. These test supplement PNL`s thermal sensitivity testing results on the reactivity of cesium nickel ferrocyanide (Cs{sub 2}NiFe(CN){sub 6}) and nitrates and nitrites (Burger and Schelle 1991). LANL used a selected set of their standard tests to determine the sensitivity of a mixture of Cs{sub 2}NiFe(CN){sub 6} (FECN-1) and equimolar sodium nitrate and nitrite oxidant to nonthermal and thermal stimuli. The stoichiometric ratio of oxidant to Cs{sub 2}NiFe(CN){sub 6} in the tested mixture FECN-1 was 1.1:1. The appendix presents the results of the LANL testing of the sensitivity of FECN-1 to initiation by mechanical impact, spark, friction, and various thermal conditions. In addition to the sensitivity testing, LANL used an Accelerating Rate Calorimeter (ARC) to estimate the behavior of large batches of the mixture.

  13. Erosion-corrosion of cooled thermal sprayed coatings impacted by mixtures of quartz and chemically active compounds

    SciTech Connect (OSTI)

    Wang, B.; Luer, K.

    1996-08-01

    A series of erosion-corrosion tests was carried out on AISI 1018 steel and four thermal sprayed coatings using a nozzle type elevated temperature erosion tester. The erodent particles were mechanical mixtures of SiO{sub 2} (quartz) with 1--4% NaCl or 1--4% KCl. The specimens were water-cooled on the backside. Test conditions attempted to simulate erosion-corrosion (E-C) conditions at the tubes in the convection pass of FBC boilers. The effect of Cl-bearing salt/quartz mixtures on the E-C wastage mechanisms of these materials were investigated. It was found that the E-C wastage of 1018 steel and carbide coating specimens increased with increasing amounts of NaCl and KCl doped in the quartz. Among the four coatings tested, a WC-17CoCr coating demonstrated the lowest thickness loss of all of the quartz/salt mixtures while the Cr{sub 3}C{sub 2}-25NiCr coating exhibited the highest E-C wastage. Meanwhile, quartz doped with NaCl or KCl had no effect on the E-C wastage of an HVOF Ni20Cr15Mo metal coating. The accelerating effect of doping alkali chlorides increased with both specimen surface temperature and environmental temperature.

  14. Power mixture and green body for producing silicon nitride base articles of high fracture toughness and strength

    DOE Patents [OSTI]

    Huckabee, M.L.; Buljan, S.T.; Neil, J.T.

    1991-09-17

    A powder mixture and a green body for producing a silicon nitride-based article of improved fracture toughness and strength are disclosed. The powder mixture includes (a) a bimodal silicon nitride powder blend consisting essentially of about 10-30% by weight of a first silicon nitride powder of an average particle size of about 0.2 [mu]m and a surface area of about 8-12m[sup 2]g, and about 70-90% by weight of a second silicon nitride powder of an average particle size of about 0.4-0.6 [mu]m and a surface area of about 2-4 m[sup 2]/g, (b) about 10-50 percent by volume, based on the volume of the densified article, of refractory whiskers or fibers having an aspect ratio of about 3-150 and having an equivalent diameter selected to produce in the densified article an equivalent diameter ratio of the whiskers or fibers to grains of silicon nitride of greater than 1.0, and (c) an effective amount of a suitable oxide densification aid. The green body is formed from the powder mixture, an effective amount of a suitable oxide densification aid, and an effective amount of a suitable organic binder. No Drawings

  15. Power mixture and green body for producing silicon nitride base & articles of high fracture toughness and strength

    DOE Patents [OSTI]

    Huckabee, Marvin L.; Buljan, Sergej-Tomislav; Neil, Jeffrey T.

    1991-01-01

    A powder mixture and a green body for producing a silicon nitride-based article of improved fracture toughness and strength. The powder mixture includes 9a) a bimodal silicon nitride powder blend consisting essentially of about 10-30% by weight of a first silicon mitride powder of an average particle size of about 0.2 .mu.m and a surface area of about 8-12m.sup.2 g, and about 70-90% by weight of a second silicon nitride powder of an average particle size of about 0.4-0.6 .mu.m and a surface area of about 2-4 m.sup.2 /g, (b) about 10-50 percent by volume, based on the volume of the densified article, of refractory whiskers or fibers having an aspect ratio of about 3-150 and having an equivalent diameter selected to produce in the densified articel an equivalent diameter ratio of the whiskers or fibers to grains of silicon nitride of greater than 1.0, and (c) an effective amount of a suitable oxide densification aid. The green body is formed from the powder mixture, an effective amount of a suitable oxide densification aid, and an effective amount of a suitable organic binder.

  16. On the influence of singlet oxygen molecules on the speed of flame propagation in methane-air mixture

    SciTech Connect (OSTI)

    Starik, A.M.; Kozlov, V.E.; Titova, N.S.

    2010-02-15

    The effect of the presence of singlet oxygen molecules O{sub 2}(a{sup 1}{delta}{sub g}) in a CH{sub 4}-air mixture on the speed of laminar flame propagation is considered. The known experimental data on the laminar flame speed and ignition delay are used to validate the developed kinetic model involving electronically excited oxygen molecules O{sub 2}(a{sup 1}{delta}{sub g}) and O{sub 2}(b{sup 1}{sigma}{sub g}{sup +}). Numerical simulation shows that the presence of 10% O{sub 2}(a{sup 1}{delta}{sub g}) in molecular oxygen enables to increase significantly (by a factor of 1.7) the speed of flame propagation in a fuel-lean ({phi}=0.45) methane-air mixture. The main reason for such an acceleration of flame propagation is the intensification of chain reactions due to addition of singlet delta oxygen molecules. For a fuel-rich mixture ({phi}=1.9), the growth in the flame speed is significantly smaller and attains a factor of 1.4. (author)

  17. UV-Vis, infrared, and mass spectroscopy of electron irradiated frozen oxygen and carbon dioxide mixtures with water

    SciTech Connect (OSTI)

    Jones, Brant M.; Kaiser, Ralf I.; Strazzulla, Giovanni

    2014-02-01

    Ozone has been detected on the surface of Ganymede via observation of the Hartley band through the use of ultraviolet spectroscopy and is largely agreed upon to be formed by radiolytic processing via interaction of magnetospheric energetic ions and/or electrons with oxygen-bearing ices on Ganymede's surface. Interestingly, a clearly distinct band near 300 nm within the shoulder of the UV-Vis spectrum of Ganymede was also observed, but currently lacks an acceptable physical or chemical explanation. Consequently, the primary motivation behind this work was the collection of UV-Vis absorption spectroscopy of ozone formation by energetic electron bombardment of a variety of oxygen-bearing ices (oxygen, carbon dioxide, water) relevant to this moon as well as other solar system. Ozone was indeed synthesized in pure ices of molecular oxygen, carbon dioxide and a mixture of water and oxygen, in agreement with previous studies. The Hartley band of the ozone synthesized in these ice mixtures was observed in the UV-Vis spectra and compared with the spectrum of Ganymede. In addition, a solid state ozone absorption cross section of 6.0 0.6 10{sup 17} cm{sup 2} molecule{sup 1} was obtained from the UV-Vis spectral data. Ozone was not produced in the irradiated carbon dioxide-water mixtures; however, a spectrally 'red' UV continuum is observed and appears to reproduce well what is observed in a large number of icy moons such as Europa.

  18. Molecular Mechanism of the Adsorption Process of an Iodide Anion into Liquid-Vapor Interfaces of Water-Methanol Mixtures

    SciTech Connect (OSTI)

    Annapureddy, Harsha V.; Dang, Liem X.

    2012-12-07

    To enhance our understanding of the molecular mechanism of ion adsorption to the interface of mixtures, we systematically carried out a free energy calculations study involving the transport of an iodide anion across the interface of a water-methanol mixture. Many body affects are taken into account to describe the interactions among the species. The surface propensities of I- at interfaces of pure water and methanol are well understood. In contrast, detailed knowledge of the molecular level adsorption process of I- at aqueous mixture interfaces has not been reported. In this paper, we explore how this phenomenon will be affected for mixed solvents with varying compositions of water and methanol. Our potential of mean force study as function of varying compositions indicated that I- adsorption free energies decrease from pure water to pure methanol but not linearly with the concentration of methanol. We analyze the computed density profiles and hydration numbers as a function of concentrations and ion positions with respect to the interface to further explain the observed phenomenon. This work was supported by the U.S. Department of Energy (DOE), Office of Basic Energy Sciences (BES), Division of Chemical Sciences, Geosciences, and Biosciences. Pacific Northwest National Laboratory is a multiprogram national laboratory operated for DOE by Battelle. The calculations were carried out using computer resources provided by BES.

  19. Transition between breakdown regimes in a temperature-dependent mixture of argon and mercury using 100 kHz excitation

    SciTech Connect (OSTI)

    Sobota, A.; Bos, R. A. J. M. van den; Kroesen, G. [Dept. of Applied Physics, Eindhoven University of Technology, Postbus 513, 5600MB Eindhoven (Netherlands); Manders, F. [Philips Innovative Applications, Steenweg op Gierle 417, B-2300 Turnhout (Belgium)

    2013-01-28

    The paper examines the breakdown process at 100 kHz in a changing temperature-dependent mixture of Ar and Hg and the associated transitions between breakdown regimes. Each measurement series started at 1400 K, 10 bar of Hg, and 0.05% admixture of Ar and finished by natural cooling at room temperature, 150 mbar of Ar, and 0.01% admixture of Hg. The E/N at breakdown as a function of temperature and gas composition was found to have a particular shape with a peak at 600 K, when Hg makes up for 66% of the gaseous mixture and Ar 34%. This peak was found to be an effect of the mixture itself, not the temperature effects or the possible presence of electronegative species. The analysis has shown that at this frequency both streamer and diffuse breakdown can take place, depending on the temperature and gas composition. Streamer discharges during breakdown are present at high temperatures and high Hg pressure, while at room temperature in 150 mbar of Ar the breakdown has a diffuse nature. In between those two cases, the radius of the discharges during breakdown was found to change in a monotonic manner, covering one order of magnitude from the size typical for streamer discharges to a diffuse discharge comparable to the size of the reactor.

  20. Oxidation of 1-butanol and a mixture of n-heptane/1-butanol in a motored engine

    SciTech Connect (OSTI)

    Zhang, Yu.; Boehman, Andre L.

    2010-10-15

    The oxidation of neat 1-butanol and a mixture of n-heptane and 1-butanol was studied in a modified CFR engine at an equivalence ratio of 0.25 and an intake temperature of 120 C. The engine compression ratio was gradually increased from the lowest point to the point where significant high temperature heat release was observed. Heat release analyses showed that no noticeable low temperature heat release behavior was observed from the oxidation of neat 1-butanol while the n-heptane/1-butanol mixture exhibited pronounced cool flame behavior. Species concentration profiles were obtained via GC-MS and GC-FID/TCD. Quantitative analyses of the reaction products from the oxidation of neat 1-butanol indicate that 1-butanol is consumed mainly through H-atom abstraction. Among the H-atom abstraction reactions, it is observed that the H-atom abstraction from the {alpha}-carbon of 1-butanol is particularly favored. The investigation on the oxidation of the mixture of n-heptane/1-butanol showed that the oxidation of 1-butanol is facilitated at low temperatures through the radical pool generated from the oxidation of n-heptane. (author)

  1. Investigation of Phase and Emulsion Behavior, Surfactant Retention and Condensate Recovery for Condensate/Water/Ethanol Mixtures

    SciTech Connect (OSTI)

    Ramanathan Sampath

    2005-03-31

    This semi-annual technical progress report describes work performed at Morehouse College under DOE Grant No. DE-FG26-02NT15447 during the period October 01, 2004 to March 31, 2005 which covers the fifth six months of the project. Presently work is in progress to characterize phase and emulsion behavior for ethylbenzene/water/ethanol system. Ethylbenzene that has the equivalent carbon number is used as the model condensate. During this reporting period, electrical conductivity measurements for bottom, and top phases, as well as bottom/top, and top/bottom conjugate pair phases of the ethylbenzene/water/ethanol system were performed for various ethanol volume percentage of the mixtures starting from 2% to 60%. Preliminary findings are that electrical conductivity of the bottom phase decreased as ethanol volume fraction of the mixture increased. Conductivity of the top phase was small and remained almost the same for variations in ethanol volume fraction of the mixture. Conductivity of the emulsion of the conjugate pair phases decreased as the fraction of volume of the top phase was increased and vice versa. Also inversion phenomena was observed. Detailed analyses are in progress including the prediction of conductivity data using the theoretical model already developed in this project.

  2. Investigation of Phase and Emulsion Behavior, Surfactant Retention and Condensate Recovery for Condensate/Water/Ethanol Mixtures

    SciTech Connect (OSTI)

    Ramanathan Sampath

    2005-09-30

    This semi-annual technical progress report describes work performed at Morehouse College under DOE Grant No. DE-FG26-02NT15447 during the period April 01, 2005 to September 30, 2005 which covers the sixth six months of the project. Presently work is in progress to characterize phase and emulsion behavior for ethylbenzene/water/ethanol system. Ethylbenzene that has the equivalent carbon number is used as the model condensate. In the last reporting period, electrical conductivity measurements for bottom/top, and top/bottom conjugate pair phases of the ethylbenzene/water/ethanol system were performed for various ethanol volume percentage in the mixture: 2,10,20,33,43,50, and 56. During this reporting period, prediction of electrical conductivity data obtained in the past was conducted employing a theoretical model already developed in this project. Results of the comparisons for 2, and 10% ethanol volume in the mixture are presented here. A good agreement was obtained between the predicted emulsion conductivities and the measured values. To date about 99% of the proposed work has been completed. Conductivity prediction for 56% ethanol volume in the mixture is in progress. Following this prediction, a final report will be developed describing the research activities conducted through the entire project period including results and conclusions.

  3. Effect of hydrogen ratio on plasma parameters of N{sub 2}-H{sub 2} gas mixture glow discharge

    SciTech Connect (OSTI)

    El-Brulsy, R. A.; Abd Al-Halim, M. A.; Abu-Hashem, A.; Rashed, U. M.; Hassouba, M. A.

    2012-05-15

    A dc plane glow discharge in a nitrogen-hydrogen (N{sub 2}-H{sub 2}) gas mixture has been operated at discharge currents of 10 and 20 mA. The electron energy distribution function (EEDF) at different hydrogen concentrations is measured. A Maxwellian EEDF is found in the positive column region, while in both cathode fall and negative glow regions, a non-Maxwellian one is observed. Langmuir electric probes are used at different axial positions, gas pressures, and hydrogen concentrations to measure the electron temperature and plasma density. The electron temperature is found to increase with increasing H{sub 2} concentration and decrease with increasing both the axial distance from the cathode and the mixture pressure. At first, with increasing distance from the cathode, the ion density decreases, while the electron density increases; then, as the anode is further approached, they remain nearly constant. At different H{sub 2} concentrations, the electron and ion densities decrease with increasing the mixture pressure. Both the electron and ion densities slightly decrease with increasing H{sub 2} concentration.

  4. Laminar burning velocities and flame instabilities of butanol isomers-air mixtures

    SciTech Connect (OSTI)

    Gu, Xiaolei; Huang, Zuohua; Wu, Si; Li, Qianqian [State Key Laboratory of Multiphase Flow in Power Engineering, Xi'an Jiaotong University, Xi'an 710049 (China)

    2010-12-15

    Laminar burning velocities and flame instabilities of the butanol-air premixed flames and its isomers are investigated using the spherically expanding flame with central ignition at initial temperature of 428 K and initial pressures of 0.10 MPa, 0.25 MPa, 0.50 MPa and 0.75 MPa. Laminar burning velocities and sensitivity factor of n-butanol-air mixtures are computed using a newly developed kinetic mechanism. Unstretched laminar burning velocity, adiabatic temperature, Lewis number, Markstein length, critical flame radius and Peclet number are obtained over a wide range of equivalence ratios. Effect of molecular structure on laminar burning velocity of the isomers of butanol is analyzed from the aspect of C-H bond dissociation energy. Study indicates that although adiabatic flame temperatures of the isomers of butanol are the same, laminar burning velocities give an obvious difference among the isomers of butanol. This indicates that molecular structure has a large influence on laminar burning velocities of the isomers of butanol. Branching (-CH3) will decrease laminar burning velocity. Hydroxyl functional group (-OH) attaching to the terminal carbon atoms gives higher laminar burning velocity compared to that attaching to the inner carbon atoms. Calculated dissociation bond energies show that terminal C-H bonds have larger bond energies than that of inner C-H bonds. n-Butanol, no branching and with hydroxyl functional group (-OH) attaching to the terminal carbon atom, gives the largest laminar burning velocity. tert-Butanol, with highly branching and hydroxyl functional group (-OH) attaching to the inner carbon atom, gives the lowest laminar burning velocity. Laminar burning velocities of iso-butanol and sec-butanol are between those of n-butanol and tert-butanol. The instant of transition to cellularity is experimentally determined for the isomers of butanol and subsequently interpreted on the basis of hydrodynamic and diffusion-thermal instabilities. Little effect

  5. First-Principles Petascale Simulations for Predicting Deflagration to Detonation Transition in Hydrogen-Oxygen Mixtures

    SciTech Connect (OSTI)

    Khokhlov, Alexei; Austin, Joanna

    2015-03-02

    Hydrogen has emerged as an important fuel across a range of industries as a means of achieving energy independence and to reduce emissions. DDT and the resulting detonation waves in hydrogen-oxygen can have especially catastrophic consequences in a variety of industrial and energy producing settings related to hydrogen. First-principles numerical simulations of flame acceleration and DDT are required for an in-depth understanding of the phenomena and facilitating design of safe hydrogen systems. The goals of this project were (1) to develop first-principles petascale reactive flow Navier-Stokes simulation code for predicting gaseous high-speed combustion and detonation (HSCD) phenomena and (2) demonstrate feasibility of first-principles simulations of rapid flame acceleration and deflagrationto- detonation transition (DDT) in stoichiometric hydrogen-oxygen mixture (2H2 + O2). The goals of the project have been accomplished. We have developed a novel numerical simulation code, named HSCD, for performing first-principles direct numerical simulations of high-speed hydrogen combustion. We carried out a series of validating numerical simulations of inert and reactive shock reflection experiments in shock tubes. We then performed a pilot numerical simulation of flame acceleration in a long pipe. The simulation showed the transition of the rapidly accelerating flame into a detonation. The DDT simulations were performed using BG/Q Mira at the Argonne National Laboratiory, currently the fourth fastest super-computer in the world. The HSCD is currently being actively used on BG/QMira for a systematic study of the DDT processes using computational resources provided through the 2014-2016 INCITE allocation ”First-principles simulations of high-speed combustion and detonation.” While the project was focused on hydrogen-oxygen and on DDT, with appropriate modifications of the input physics (reaction kinetics, transport coefficients, equation of state) the code has a much

  6. Utilization of ash from municipal solid waste combustion

    SciTech Connect (OSTI)

    Jones, C.; Hahn, J.; Magee, B.; Yuen, N.; Sandefur, K.; Tom, J.; Yap, C.

    1999-09-01

    This ash study investigated the beneficial use of municipal waste combustion combined ash from the H-POWER facility in Oahu. These uses were grouped into intermediate cover for final closure of the Waipahu landfill, daily cover at the Waimanalo Gulch Landfill, and partial replacement for aggregate in asphalt for road paving. All proposed uses examine combined fly and bottom ash from a modern waste-to-energy facility that meets requirements of the Clean Air Act Amendments for Maximum Achievable Control Technology.

  7. Relative potency based on hepatic enzyme induction predicts immunosuppressive effects of a mixture of PCDDS/PCDFS and PCBS

    SciTech Connect (OSTI)

    Smialowicz, R.J.; DeVito, M.J. Williams, W.C.; Birnbaum, L.S.

    2008-03-15

    The toxic equivalency factor (TEF) approach was employed to compare immunotoxic potency of mixtures containing polychlorinated dibenzo-p-dioxins, polychlorinated dibenzofurans and polychlorinated biphenyls relative to 2,3,7,8-tetrachlorodibenzo-p-dioxin (TCDD), using the antibody response to sheep erythrocytes (SRBC). Mixture-1 (MIX-1) contained TCDD, 1,2,3,7,8-pentachlorodibenzo-p-dioxin (PeCDD), 2,3,7,8-tetrachlorodibenzofuran (TCDF), 1,2,3,7,8-pentachlorodibenzofuran (1-PeCDF), 2,3,4,7,8-pentachlorodibenzofuran (4-PeCDF), and 1,2,3,4,6,7,8,9-octachlorodibenzofuran (OCDF). Mixture-2 (MIX-2) contained MIX-1 and the following PCBs, 3,3',4,4'-tetrachlorobiphenyl (IUPAC No. 77), 3,3',4,4',5-pentachlorobiphenyl (126), 3,3',4,4',5,5N-hexachlorobiphenyl (169), 2,3,3',4,4'-pentachlorobiphenyl (105), 2,3',4,4',5-pentachlorobiphenyl (118), and 2,3,3',4,4',5-hexachlorobiphenyl (156). The mixture compositions were based on relative chemical concentrations in food and human tissues. TCDD equivalents (TEQ) of the mixture were estimated using relative potency factors from hepatic enzyme induction in mice [DeVito, M.J., Diliberto, J.J., Ross, D.G., Menache, M.G., Birnbaum, L.S., 1997. Dose-response relationships for polyhalogenated dioxins and dibenzofurans following subchronic treatment in mice. I .CYP1A1 and CYP1A2 enzyme activity in liver, lung and skin. Toxicol. Appl. Pharmacol. 130, 197-208; DeVito, M.J., Menache, G., Diliberto, J.J., Ross, D.G., Birnbaum L.S., 2000. Dose-response relationships for induction of CYP1A1 and CYP1A2 enzyme activity in liver, lung, and skin in female mice following subchronic exposure to polychlorinated biphenyls. Toxicol. Appl. Pharmacol. 167, 157-172] Female mice received 0, 1.5, 15, 150 or 450 ng TCDD/kg/day or approximately 0, 1.5, 15, 150 or 450 ng TEQ/kg/day of MIX-1 or MIX-2 by gavage 5 days per week for 13 weeks. Mice were immunized 3 days after the last exposure and 4 days later, body, spleen, thymus, and liver weights were measured

  8. Assessing the Changes In Safety Risk Arising From the Use of Natural Gas Infrastructure For Mixtures of Hydrogen and Natural Gas

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

    6/02/2005 Assessing the changes in safety risk arising from the use of natural gas infrastructures for mixtures of hydrogen and natural gas NATURALHY G. Hankinson Loughborough University, UK 2 16/02/2005 Naturalhy project safety work package NATURALHY 3 16/02/2005 Outline NATURALHY To identify and quantify the major factors influencing safety in the transportation, distribution, and delivery of hydrogen/natural gas mixtures by means of existing natural gas infrastructures. 4 16/02/2005 Purpose

  9. Method of testing gas insulated systems for the presence of conducting particles utilizing a gas mixture of nitrogen and sulfur hexafluoride

    DOE Patents [OSTI]

    Wootton, Roy E.

    1979-01-01

    A method of testing a gas insulated system for the presence of conducting particles. The method includes inserting a gaseous mixture comprising about 98 volume percent nitrogen and about 2 volume percent sulfur hexafluoride into the gas insulated system at a pressure greater than 60 lb./sq. in. gauge, and then applying a test voltage to the system. If particles are present within the system, the gaseous mixture will break down, providing an indicator of the presence of the particles.

  10. Metal hydride differential scanning calorimetry as an approach to compositional determination of mixtures of hydrogen isotopologues and helium

    SciTech Connect (OSTI)

    Robinson, David B.; Luo, Weifang; Cai, Trevor Y.; Stewart, Kenneth D.

    2015-09-26

    Gaseous mixtures of diatomic hydrogen isotopologues and helium are often encountered in the nuclear energy industry and in analytical chemistry. Compositions of stored mixtures can vary due to interactions with storage and handling materials. When tritium is present, it decays to form ions and helium-3, both of which can lead to further compositional variation. Monitoring of composition is typically achieved by mass spectrometry, a method that is bulky and energy-intensive. Mass spectrometers disperse sample material through vacuum pumps, which is especially troublesome if tritium is present. Moreover, our ultimate goal is to create a compact, fast, low-power sensor that can determine composition with minimal gas consumption and waste generation, as a complement to mass spectrometry that can be instantiated more widely. We propose calorimetry of metal hydrides as an approach to this, due to the strong isotope effect on gas absorption, and demonstrate the sensitivity of measured heat flow to atomic composition of the gas. Peak shifts are discernible when mole fractions change by at least 1%. A mass flow restriction results in a unique dependence of the measurement on helium concentration. We present a mathematical model as a first step toward prediction of the peak shapes and positions. The model includes a useful method to compute estimates of phase diagrams for palladium in the presence of arbitrary mixtures of hydrogen isotopologues. As a result, we expect that this approach can be used to deduce unknown atomic compositions from measured calorimetric data over a useful range of partial pressures of each component.

  11. Metal hydride differential scanning calorimetry as an approach to compositional determination of mixtures of hydrogen isotopologues and helium

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

    Robinson, David B.; Luo, Weifang; Cai, Trevor Y.; Stewart, Kenneth D.

    2015-09-26

    Gaseous mixtures of diatomic hydrogen isotopologues and helium are often encountered in the nuclear energy industry and in analytical chemistry. Compositions of stored mixtures can vary due to interactions with storage and handling materials. When tritium is present, it decays to form ions and helium-3, both of which can lead to further compositional variation. Monitoring of composition is typically achieved by mass spectrometry, a method that is bulky and energy-intensive. Mass spectrometers disperse sample material through vacuum pumps, which is especially troublesome if tritium is present. Moreover, our ultimate goal is to create a compact, fast, low-power sensor that canmore » determine composition with minimal gas consumption and waste generation, as a complement to mass spectrometry that can be instantiated more widely. We propose calorimetry of metal hydrides as an approach to this, due to the strong isotope effect on gas absorption, and demonstrate the sensitivity of measured heat flow to atomic composition of the gas. Peak shifts are discernible when mole fractions change by at least 1%. A mass flow restriction results in a unique dependence of the measurement on helium concentration. We present a mathematical model as a first step toward prediction of the peak shapes and positions. The model includes a useful method to compute estimates of phase diagrams for palladium in the presence of arbitrary mixtures of hydrogen isotopologues. As a result, we expect that this approach can be used to deduce unknown atomic compositions from measured calorimetric data over a useful range of partial pressures of each component.« less

  12. Flow pattern changes influenced by variation of viscosities of a heterogeneous gas-liquid mixture flow in a vertical channel

    SciTech Connect (OSTI)

    Keska, Jerry K.; Hincapie, Juan; Jones, Richard

    2011-02-15

    In the steady-state flow of a heterogeneous mixture such as an air-liquid mixture, the velocity and void fraction are space- and time-dependent parameters. These parameters are the most fundamental in the analysis and description of a multiphase flow. The determination of flow patterns in an objective way is extremely critical, since this is directly related to sudden changes in spatial and temporal changes of the random like characteristic of concentration. Flow patterns can be described by concentration signals in time, amplitude, and frequency domains. Despite the vital importance and countless attempts to solve or incorporate the flow pattern phenomena into multiphase models, it has still been a very challenging topic in the scientific community since the 1940's and has not yet reached a satisfactory solution. This paper reports the experimental results of the impact of fluid viscosity on flow patterns for two-phase flow. Two-phase flow was created in laboratory equipment using air and liquid as phase medium. The liquid properties were changed by using variable concentrations of glycerol in water mixture which generated a wide-range of dynamic viscosities ranging from 1 to 1060 MPa s. The in situ spatial concentration vs. liquid viscosity and airflow velocity of two-phase flow in a vertical ID=50.8 mm pipe were measured using two concomitant computer-aided measurement systems. After acquiring data, the in situ special concentration signals were analyzed in time (spatial concentration and RMS of spatial concentration vs. time), amplitude (PDF and CPDF), and frequency (PSD and CPSD) domains that documented broad flow pattern changes caused by the fluid viscosity and air velocity changes. (author)

  13. Exposure to Pb, Cd, and As mixtures potentiates the production of oxidative stress precursors: 30-day, 90-day, and 180-day drinking water studies in rats

    SciTech Connect (OSTI)

    Whittaker, Margaret H.; Wang, Gensheng; Chen Xueqing; Lipsky, Michael; Smith, Donald; Gwiazda, Roberto; Fowler, Bruce A.

    2011-07-15

    Exposure to chemical mixtures is a common and important determinant of toxicity and is of particular concern due to their appearance in sources of drinking water. Despite this, few in vivo mixture studies have been conducted to date to understand the health impact of chemical mixtures compared to single chemicals. Interactive effects of lead (Pb), cadmium (Cd) and arsenic (As) were evaluated in 30-, 90-, and 180-day factorial design drinking water studies in rats designed to test the hypothesis that ingestion of such mixtures at individual component Lowest-Observed-Effect-Levels (LOELs) results in increased levels of the pro-oxidant delta aminolevulinic acid (ALA), iron, and copper. LOEL levels of Pb, Cd, and As mixtures resulted in the increased presence of mediators of oxidative stress such as ALA, copper, and iron. ALA increases were followed by statistically significant increases in kidney copper in the 90- and 180-day studies. Statistical evidence of interaction was identified for six biologically relevant variables: blood delta aminolevulinic acid dehydratase (ALAD), kidney ALAD, urinary ALA, urinary iron, kidney iron, and kidney copper. The current investigations underscore the importance of considering interactive effects that common toxic agents such as Pb, Cd, and As may have upon one another at low-dose levels. The interactions between known toxic trace elements at biologically relevant concentrations shown here demonstrate a clear need to rigorously review methods by which national/international agencies assess health risks of chemicals, since exposures may commonly occur as complex mixtures.

  14. How to make Raman-inactive helium visible in Raman spectra of tritium-helium gas mixtures

    SciTech Connect (OSTI)

    Schloesser, M.; Pakari, O.; Rupp, S.; Mirz, S.; Fischer, S.

    2015-03-15

    Raman spectroscopy, a powerful method for the quantitative compositional analysis of molecular gases, e.g. mixtures of hydrogen isotopologues, is not able to detect monoatomic species like helium. This deficit can be overcome by using radioluminescence emission from helium atoms induced by β-electrons from tritium decay. We present theoretical considerations and combined Raman/radioluminescence spectra. Furthermore, we discuss the linearity of the method together with validation measurements for determining the pressure dependence. Finally, we conclude how this technique can be used for samples of helium with traces of tritium, and vice versa. (authors)

  15. Electrolyte Solvation and Ionic Association. V. Acetonitrile-Lithium Bis(fluorosulfonyl)imide (LiFSI) Mixtures

    SciTech Connect (OSTI)

    Han, Sang D.; Borodin, Oleg; Seo, D. M.; Zhou, Zhi B.; Henderson, Wesley A.

    2014-09-30

    Electrolytes with the salt lithium bis(fluorosulfonyl)imide (LiFSI) have been evaluated relative to comparable electrolytes with other lithium salts. Acetonitrile (AN) has been used as a model electrolyte solvent. The information obtained from the thermal phase behavior, solvation/ionic association interactions, quantum chemical (QC) calculations and molecular dynamics (MD) simulations (with an APPLE&P many-body polarizable force field for the LiFSI salt) of the (AN)n-LiFSI mixtures provides detailed insight into the coordination interactions of the FSI- anions and the wide variability noted in the electrolyte transport property (i.e., viscosity and ionic conductivity).

  16. Hazardous and Corrosive Gas Production in the Radiolysis of Water/Organic Mixtures in Model TRU Waste

    SciTech Connect (OSTI)

    LaVerne, Jay A.

    2005-06-01

    Experiments in combination with diffusion-kinetic modeling incorporating track structure simulations are used to examine the radiation chemistry of aqueous systems containing chlorinated hydrocarbons. Irradiations with both Co-60 gamma rays and alpha particles are employed in order to simulate typical mixed radiation environments encountered in waste management. The goal is to determine fundamental mechanisms, kinetics, and yields for the formation of potentially explosive gases and corrosive agents, such as H2 and HCl, respectively, in the radiolysis of water-organic mixtures. The radiation chemical systems studied are found throughout the DOE portfolio and are important in radioactive waste remediation and management.

  17. Pressure and concentration dependences of the autoignition temperature for normal butane + air mixtures in a closed vessel

    SciTech Connect (OSTI)

    Chandraratna, M.R.; Griffiths, J.F. . School of Chemistry)

    1994-12-01

    The condition at which autoignition occurs in lean premixed n-butane + air mixtures over the composition range 0.2%--2.5% n-butane by volume (0.06 < [phi] < 0.66) were investigated experimentally. Total reactant pressure from 0.1 to 0.6 MPa (1--6 atm) were studied in a spherical, stainless-steel, closed vessel (0.5 dm[sup 3]). There is a critical transition from nonignition to ignition, at pressures above 0.1 MPa, as the mixture is enriched in the vicinity of 1% fuel vapor by volume. There is also a region of multiplicity, which exhibits three critical temperatures at a given composition. Chemical analyses show that partially oxygenated components,including many o-heterocyclic compounds, are important products of the lean combustion of butane at temperatures up to 800 K. The critical conditions for autoignition are discussed with regard to industrial ignition hazards, especially in the context of the autoignition temperature of alkanes given by ASTM or BS tests. The differences between the behavior of n-butane and the higher n-alkanes are explained. The experimental results are also used as a basis for testing a reduced kinetic model to represent the oxidation and autoignition of n-butane or other alkanes.

  18. Theoretical analysis of co-solvent effect on the proton transfer reaction of glycine in a water–acetonitrile mixture

    SciTech Connect (OSTI)

    Kasai, Yukako; Yoshida, Norio Nakano, Haruyuki

    2015-05-28

    The co-solvent effect on the proton transfer reaction of glycine in a water–acetonitrile mixture was examined using the reference interaction-site model self-consistent field theory. The free energy profiles of the proton transfer reaction of glycine between the carboxyl oxygen and amino nitrogen were computed in a water–acetonitrile mixture solvent at various molar fractions. Two types of reactions, the intramolecular proton transfer and water-mediated proton transfer, were considered. In both types of the reactions, a similar tendency was observed. In the pure water solvent, the zwitterionic form, where the carboxyl oxygen is deprotonated while the amino nitrogen is protonated, is more stable than the neutral form. The reaction free energy is −10.6 kcal mol{sup −1}. On the other hand, in the pure acetonitrile solvent, glycine takes only the neutral form. The reaction free energy from the neutral to zwitterionic form gradually increases with increasing acetonitrile concentration, and in an equally mixed solvent, the zwitterionic and neutral forms are almost isoenergetic, with a difference of only 0.3 kcal mol{sup −1}. The free energy component analysis based on the thermodynamic cycle of the reaction also revealed that the free energy change of the neutral form is insensitive to the change of solvent environment but the zwitterionic form shows drastic changes. In particular, the excess chemical potential, one of the components of the solvation free energy, is dominant and contributes to the stabilization of the zwitterionic form.

  19. NOx, FINE PARTICLE AND TOXIC METAL EMISSIONS FROM THE COMBUSTION OF SEWAGE SLUDGE/COAL MIXTURES: A SYSTEMATIC ASSESSMENT

    SciTech Connect (OSTI)

    Jost O.L. Wendt

    2003-01-31

    This research project focuses on pollutants from the combustion of mixtures of dried municipal sewage sludge (MSS) and coal. The objective is to determine the relationship between (1) fraction sludge in the sludge/coal mixture, and (2) combustion conditions on (a) NOx concentrations in the exhaust, (b) the size segregated fine and ultra-fine particle composition in the exhaust, and (c) the partitioning of toxic metals between vapor and condenses phases, within the process. The proposed study will be conducted in concert with an existing ongoing research on toxic metal partitioning mechanisms for very well characterized pulverized coals alone. Both high NOx and low NOx combustion conditions will be investigated (unstaged and staged combustion). Tradeoffs between CO{sub 2} control, NO{sub x} control, and inorganic fine particle and toxic metal emissions will be determined. Previous research results have demonstrated that the inhalation of coal/MSS ash particles cause an increase in lung permeability than coal ash particles alone. Elemental analysis of the coal/MSS ash particles showed that Zn was more abundant in these ash particles than the ash particles of coal ash alone.

  20. Application of Momentum Transfer Theory for Ion and Electron Transport in Pure Gases and in Gas Mixtures

    SciTech Connect (OSTI)

    Jovanovic, J.V.; Vrhovac, S. B.

    2004-12-01

    In this paper we have presented two applications of Momentum Transfer Theory (MTT), which were both aimed at obtaining reliable data for modeling of non-equilibrium plasma. Transport properties of ion swarms in presence of Resonant Charge Transfer (RCT) collisions are studied using Momentum Transfer Theory (MTT). Using the developed MTT we tested a previously available anisotropic set of cross-sections for Ar++Ar collisions bay making the comparisons with the available data for the transverse diffusion coefficient. We also developed an anisotropic set of Ne++Ne integral cross-sections based on the available data for mobility, longitudinal and transverse diffusion. Anisotropic sets of cross-sections are needed for Monte Carlo simulations of ion transport and plasma models. Application of Blanc's Law for drift velocities of electrons and ions in gas mixtures at arbitrary reduced electric field strengths E/n0 was studied theoretically and by numerical examples. Corrections for Blanc's Law that include effects of inelastic collisions were derived. In addition we have derived the common mean energy procedure that was proposed by Chiflikian in a general case both for ions and electrons. Both corrected common E/n0 and common mean energy procedures provide excellent results even for electrons at moderate E/n0 where application of Blanc's Law was regarded as impossible. In mixtures of two gases that have negative differential conductivity (NDC) even when neither of the two pure gases show NDC the Blanc's Law procedure was able to give excellent predictions.

  1. FINE PARTICAL AND TOXIC METAL EMISSIONS FROM THE COMBUSTION OF SEWAGE SLUDGE/COAL MIXTURES: A SYSTEMATIC ASSESSMENT

    SciTech Connect (OSTI)

    Jost O.L. Wendt; Wayne S. Seames; Art Fernandez

    2003-09-21

    This research project focuses on pollutants from the combustion of mixtures of dried municipal sewage sludge (MSS) and pulverized coal. The objective was to determine potential tradeoffs between CO{sub 2} mitigation through using a CO{sub 2} neutral fuel, such as municipal sewage sludge, and the emergence of other potential problems such as the emission of toxic fly ash particles. The work led to new insight into mechanisms governing the partitioning of major and trace metals from the combustion of sewage sludge, and mixtures of coal and sewage sludge. The research also showed that the co-combustion of coal and sewage sludge emitted fine particulate matter that might potentially cause greater lung injury than that from the combustion of either coal alone or municipal sewage sludge alone. The reason appeared to be that the toxicity measured required the presence of large amounts of both zinc and sulfur in particles that were inhaled. MSS provided the zinc while coal provided the sulfur. Additional research showed that the toxic effects could most likely be engineered out of the process, through the introduction of kaolinite sorbent downstream of the combustion zone, or removing the sulfur from the fuel. These results are consequences of applying ''Health Effects Engineering'' to this issue. Health Effects Engineering is a new discipline arising out of this work, and is derived from using a collaboration of combustion engineers and toxicologists to mitigate the potentially bad health effects from combustion of this biomass fuel.

  2. Structural and magnetic properties of a mechanochemically activated Ti-Fe{sub 2}O{sub 3} solid mixture

    SciTech Connect (OSTI)

    Cristobal, A.A.; Ramos, C.P.; Consejo Nacional de Investigaciones Cientificas y Tecnicas ; Bercoff, P.G.; Conconi, S.; Aglietti, E.F.; Botta, P.M.; Lopez, J.M. Porto

    2010-12-15

    The mechanochemical effects on the reactivity and properties of a titanium/hematite powder mixture with molar ratio of 1/2 are investigated. Crystalline-phase structure, composition, hyperfine and magnetic behaviors were analyzed as a function of activation time by means of X-ray diffraction, scanning electron microscopy, Moessbauer spectroscopy and vibrating sample magnetometry. The results showed that at relatively short activation times metallic Ti reduces part of the ferric ions, yielding a complex product formed mainly by a mix of two solid solutions Fe{sub 3-x}Ti{sub x}O{sub 4} (titanomagnetites), both with very different x values (0 < x < 1). Also metallic iron and superparamagnetic hematite particles were detected by Moessbauer spectroscopy. As the mechanical treatment extends the composition of the reactive mixture changes, prevailing in the end the solid solution with higher x value. In contrast, when these activated samples are thermally treated the fraction of the solid solution which is richer in Ti diminishes. This fact produces a significant variation of the saturation magnetization of the obtained material.

  3. INVESTIGATION OF PHASE AND EMULSION BEHAVIOR, SURFACTANT RETENTION, AND CONDENSATE RECOVERY FOR CONDENSATE/WATER/ETHANOL MIXTURES

    SciTech Connect (OSTI)

    Ramanathan Sampath

    2005-12-01

    This final technical report describes work performed at Morehouse College under DOE Grant No. DE-FG26-02NT15447 during the period October 01, 2002 to September 30, 2005, which covers the total performance period of the project. During this period, work was conducted to characterize phase and emulsion behavior for ethylbenzene/water/ethanol system. Ethylbenzene that has the equivalent carbon number was used as the model condensate. Salinity scans were performed for 0, 5, 10, 20, 50, 100, 250, 500, and 1000 mM salt concentrations at room temperature to identify the optimal salinity and salinity intervals in which all phases coexisted. It was found that only two phases formed, and salinity has no significant effect in the volumes of the phases formed. Experiments were repeated at 30 C and observed salinity has no effect at higher temperatures as well. Following the salinity experiments, measurements were made with 10mM NaCl water for surfactant concentrations from 2 to 70 volume percent at room temperature. It was found that only two phases were formed upto 60 vol% concentration of the surfactant. Above 60 vol% surfactant, the mixture produced only a single phase. Experiments were repeated from 2 to 70 C and observed that temperature has no significant effect on the number of phases formed. At the temperatures and surfactant concentration tested, volume fraction of the aqueous bottom phase was found to be larger than that of the top phase. Electrical conductivity measurements were then conducted for bottom/top, and top/bottom conjugate pair phases of the ethylbenzene/water/ethanol system formed by mixing ethanol at various volume percentages including 2,10,33,and 56% while keeping the volumes of ethylbenzene and water the same in the mixture. Electrical conductivity of the bottom phase decreased as ethanol volume fraction in the mixture increased. Conductivity of the top phase was found small and remained almost the same for variations in ethanol volume fraction in

  4. Exposure to As, Cd and Pb-mixture impairs myelin and axon development in rat brain, optic nerve and retina

    SciTech Connect (OSTI)

    Rai, Nagendra Kumar; Ashok, Anushruti; Rai, Asit; Tripathi, Sachin; Nagar, Geet Kumar; Mitra, Kalyan; Bandyopadhyay, Sanghamitra

    2013-12-01

    Arsenic (As), lead (Pb) and cadmium (Cd) are the major metal contaminants of ground water in India. We have reported the toxic effect of their mixture (metal mixture, MM), at human relevant doses, on developing rat astrocytes. Astrocyte damage has been shown to be associated with myelin disintegration in CNS. We, therefore, hypothesized that the MM would perturb myelinating white matter in cerebral cortex, optic nerve (O.N.) and retina. We observed modulation in the levels of myelin and axon proteins, such as myelin basic protein (MBP), proteolipid protein, 2?-, 3?-cyclic-nucleotide-3?-phosphodiesterase, myelin-associated glycoprotein and neurofilament (NF) in the brain of developing rats. Dose and time-dependent synergistic toxic effect was noted. The MBP- and NF-immunolabeling, as well as luxol-fast blue (LFB) staining demonstrated a reduction in the area of intact myelin-fiber, and an increase in vacuolated axons, especially in the corpus-callosum. Transmission electron microscopy (TEM) of O.N. revealed a reduction in myelin thickness and axon-density. The immunolabeling with MBP, NF, and LFB staining in O.N. supported the TEM data. The hematoxylin and eosin staining of retina displayed a decrease in the thickness of nerve-fiber, plexiform-layer, and retinal ganglion cell (RGC) count. Investigating the mechanism revealed a loss in glutamine synthetase activity in the cerebral cortex and O.N., and a fall in the brain derived neurotrophic factor in retina. An enhanced apoptosis in MBP, NF and Brn3b-containing cells justified the diminution in myelinating axons in CNS. Our findings for the first time indicate white matter damage by MM, which may have significance in neurodevelopmental-pediatrics, neurotoxicology and retinal-cell biology. - Highlights: As, Cd and Pb-mixture, at human relevant dose, demyelinate developing rat CNS. The attenuation in myelin and axon is synergistic. The optic nerve and brain demonstrate reduced glutamine synthetase. The retina

  5. Luminescence characteristics of Xe{sub 2}Cl excimer molecules under pumping the dense Xe-CCl{sub 4} gas mixtures with a pulsed electron beam

    SciTech Connect (OSTI)

    Mis'kevich, A I; Jinbo, Guo

    2013-05-31

    Temporal and spectral characteristics of the luminescence of dense Xe-CCl{sub 4} gas mixtures of different composition, excited by a 5-ns pulsed electron beam, were measured. The energy of the electrons amounted to 150 keV and the electron beam current pulse amplitude was 5 A. The gas mixtures were used containing Xe (38-700 Torr) and CCl{sub 4} (0.03-0.3 Torr). The studies were performed within the wavelength range 200-1200 nm using a MAYA-2000Pro diffraction grating spectrometer and a RIGOL DS 5022 ME fast digital oscilloscope. The luminescence lifetimes of the excimer molecules XeCl* (band with {lambda}{sub max} = 308 nm) and Xe{sub 2}Cl* (band with {lambda}{sub max} = 486 nm) were measured, as well as the constants of quenching by the components of the gas mixture for Xe{sub 2}Cl* molecules. A model of plasma-chemical processes for dense Xe-CCl{sub 4} gas mixtures with a very low content of the CCl{sub 4} donor is proposed. It is shown that in such 'poor' mixtures Xe{sub 2}Cl* molecules are mainly produced as a result of recombination of the Xe{sub 2}{sup +} and Cl{sup -} ions. (active media)

  6. Evaluation of the grand-canonical partition function using expanded Wang-Landau simulations. III. Impact of combining rules on mixtures properties

    SciTech Connect (OSTI)

    Desgranges, Caroline; Delhommelle, Jerome

    2014-03-14

    Combining rules, such as the Lorentz-Berthelot rules, are routinely used to calculate the thermodynamic properties of mixtures using molecular simulations. Here we extend the expanded Wang-Landau simulation approach to determine the impact of the combining rules on the value of the partition function of binary systems, and, in turn, on the phase coexistence and thermodynamics of these mixtures. We study various types of mixtures, ranging from systems of rare gases to biologically and technologically relevant mixtures, such as water-urea and water-carbon dioxide. Comparing the simulation results to the experimental data on mixtures of rare gases allows us to rank the performance of combining rules. We find that the widely used Lorentz-Berthelot rules exhibit the largest deviations from the experimental data, both for the bulk and at coexistence, while the Kong and Waldman-Hagler provide much better alternatives. In particular, in the case of aqueous solutions of urea, we show that the use of the Lorentz-Berthelot rules has a strong impact on the Gibbs free energy of the solute, overshooting the value predicted by the Waldman-Hagler rules by 7%. This result emphasizes the importance of the combining rule for the determination of hydration free energies using molecular simulations.

  7. FT-IR Investigation of Hoveyda-Grubbs'2{sup nd} Generation Catalyst in Self-Healing Epoxy Mixtures

    SciTech Connect (OSTI)

    Guadagno, Liberata; Naddeo, Carlo; Vittoria, Vittoria; Longo, Pasquale; Raimondo, Marialuigia; Mariconda, Annaluisa; Iannuzzo, Generoso; Russo, Salvatore

    2010-06-02

    The development of smart composites capable of self-repair on aeronautical structures is still at the planning stage owing to complex issues to overcome. A very important issue to solve concerns the components' stability of the proposed composites which are compromised at the cure temperatures necessary for good performance of the composite. In this work we analyzed the possibility to apply Hoveyda Grubbs' second generation catalyst (HG2) to develop self-healing systems. Our experimental results have shown critical issues in the use of epoxy precursors in conjunction with Hoveyda-Grubbs II metathesis catalyst. However, an appropriate curing cycle of the self-healing mixture permits to overcome the critical issues making possible high temperatures for the curing process without deactivating self-repair activity.

  8. Vapor-liquid equilibria for an R134a/lubricant mixture: Measurements and equation-of-state modeling

    SciTech Connect (OSTI)

    Huber, M.L.; Holcomb, C.D.; Outcalt, S.L.; Elliott, J.R.

    2000-07-01

    The authors measured bubble point pressures and coexisting liquid densities for two mixtures of R-134a and a polyolester (POE) lubricant. The mass fraction of the lubricant was approximately 9% and 12%, and the temperature ranged from 280 K to 355 K. The authors used the Elliott, Suresh, and Donohue (ESD) equation of state to model the bubble point pressure data. The bubble point pressures were represented with an average absolute deviation of 2.5%. A binary interaction parameter reduced the deviation to 1.4%. The authors also applied the ESD model to other R-134a/POE lubricant data in the literature. As the concentration of the lubricant increased, the performance of the model deteriorated markedly. However, the use of a single binary interaction parameter reduced the deviations significantly.

  9. Transport properties and equation of state for HCNO mixtures in and beyond the warm dense matter regime

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

    Ticknor, Christopher; Collins, Lee A.; Kress, Joel D.

    2015-08-04

    We present simulations of a four component mixture of HCNO with orbital free molecular dynamics (OFMD). These simulations were conducted for 5–200 eV with densities ranging between 0.184 and 36.8 g/cm3. We extract the equation of state from the simulations and compare to average atom models. We found that we only need to add a cold curve model to find excellent agreement. In addition, we studied mass transport properties. We present fits to the self-diffusion and shear viscosity that are able to reproduce the transport properties over the parameter range studied. We compare these OFMD results to models based onmore » the Coulomb coupling parameter and one-component plasmas.« less

  10. Transport properties and equation of state for HCNO mixtures in and beyond the warm dense matter regime

    SciTech Connect (OSTI)

    Ticknor, Christopher; Collins, Lee A.; Kress, Joel D.

    2015-08-04

    We present simulations of a four component mixture of HCNO with orbital free molecular dynamics (OFMD). These simulations were conducted for 5–200 eV with densities ranging between 0.184 and 36.8 g/cm3. We extract the equation of state from the simulations and compare to average atom models. We found that we only need to add a cold curve model to find excellent agreement. In addition, we studied mass transport properties. We present fits to the self-diffusion and shear viscosity that are able to reproduce the transport properties over the parameter range studied. We compare these OFMD results to models based on the Coulomb coupling parameter and one-component plasmas.

  11. Nanophase Segregation in Binary Mixtures of a Bent-Core and a Rodlike Liquid-Crystal Molecule

    SciTech Connect (OSTI)

    Zhu, C.; Chen, D; Shen, Y; Jones, C; Glaser, M; Maclennan, J; Clark, N

    2010-01-01

    We studied mixtures of the achiral bent-core mesogen NOBOW 1,3-phenylene bis[4-(4-9-alkoxyphenyliminonetyl)benzoates] (P-9-O-PIMB) and the small, rodlike liquid crystal 8CB using high-resolution synchrotron x-ray diffraction, freeze fracture transmission electron microscopy, and differential scanning calorimetry. NOBOW and 8CB mix in an isotropic state at high temperatures but phase separate at lower temperatures when NOBOW transforms into the B4 phase and forms chiral helical nanofilaments. In pure NOBOW, the nanofilaments are close packed but at moderate 8CB concentrations, they are separated by nanosized gaps filled by 8CB. At higher concentrations of 8CB, macroscopic phase separation occurs.

  12. Inelastic incoherent neutron scattering study of the molecular properties of pure hydrogen peroxide and its water mixtures of different concentration

    SciTech Connect (OSTI)

    Albers, Peter W.; Glenneberg, Jürgen; Refson, Keith; Parker, Stewart F.

    2014-04-28

    We have investigated the spectra of shock-frozen H{sub 2}O{sub 2}–H{sub 2}O mixtures across the full composition range 99.1%–0.0% H{sub 2}O{sub 2}. In contrast to literature reports, we find that intermediate compositions (30%–70% H{sub 2}O{sub 2}) freeze to a solid solution rather than phase separating, which only occurs on annealing to just below the melting point. We have fully characterised the dihydrate H{sub 2}O{sub 2}·2H{sub 2}O (48.6% H{sub 2}O{sub 2}) for the first time and shown that its spectrum can account for the features previously observed on the surface of a Au/TiO{sub 2} catalyst.

  13. Transport properties and equation of state for HCNO mixtures in and beyond the warm dense matter regime

    SciTech Connect (OSTI)

    Ticknor, Christopher; Collins, Lee A.; Kress, Joel D.

    2015-08-04

    We present simulations of a four component mixture of HCNO with orbital free molecular dynamics (OFMD). These simulations were conducted for 5200 eV with densities ranging between 0.184 and 36.8 g/cm3. We extract the equation of state from the simulations and compare to average atom models. We found that we only need to add a cold curve model to find excellent agreement. In addition, we studied mass transport properties. We present fits to the self-diffusion and shear viscosity that are able to reproduce the transport properties over the parameter range studied. We compare these OFMD results to models based on the Coulomb coupling parameter and one-component plasmas.

  14. Use of Computed X-ray Tomographic Data for Analyzing the Thermodynamics of a Dissociating Porous Sand/Hydrate Mixture

    DOE R&D Accomplishments [OSTI]

    Freifeld, Barry M.; Kneafsey, Timothy J.; Tomutsa, Liviu; Stern, Laura A.; Kirby, Stephen H.

    2002-02-28

    X-ray computed tomography (CT) is a method that has been used extensively in laboratory experiments for measuring rock properties and fluid transport behavior. More recently, CT scanning has been applied successfully to detect the presence and study the behavior of naturally occurring hydrates. In this study, we used a modified medical CT scanner to image and analyze the progression of a dissociation front in a synthetic methane hydrate/sand mixture. The sample was initially scanned under conditions at which the hydrate is stable (atmospheric pressure and liquid nitrogen temperature, 77 K). The end of the sample holder was then exposed to the ambient air, and the core was continuously scanned as dissociation occurred in response to the rising temperature. CT imaging captured the advancing dissociation front clearly and accurately. The evolved gas volume was monitored as a function of time. Measured by CT, the advancing hydrate dissociation front was modeled as a thermal conduction problem explicitly incorporating the enthalpy of dissociation, using the Stefan moving-boundary-value approach. The assumptions needed to perform the analysis consisted of temperatures at the model boundaries. The estimated value for thermal conductivity of 2.6 W/m K for the remaining water ice/sand mixture is higher than expected based on conduction alone; this high value may represent a lumped parameter that incorporates the processes of heat conduction, methane gas convection, and any kinetic effects that occur during dissociation. The technique presented here has broad implications for future laboratory and field testing that incorporates geophysical techniques to monitor gas hydrate dissociation.

  15. NOx, FINE PARTICLE AND TOXIC METAL EMISSIONS FROM THE COMBUSTION OF SEWAGE SLUDGE/COAL MIXTURES: A SYSTEMATIC ASSESSMENT

    SciTech Connect (OSTI)

    Jost O.L. Wendt

    2002-02-05

    This research project focuses on pollutants from the combustion of mixtures of dried municipal sewage sludge (MSS) and coal. The objective is to determine the relationship between (1) fraction sludge in the sludge/coal mixture, and (2) combustion conditions on (a) NO{sub x} concentrations in the exhaust, (b) the size segregated fine and ultra-fine particle composition in the exhaust, and (c) the partitioning of toxic metals between vapor and condenses phases, within the process. To this end work is progress using an existing 17kW downflow laboratory combustor, available with coal and sludge feed capabilities. The proposed study will be conducted in concert with an existing ongoing research on toxic metal partitioning mechanisms for very well characterized pulverized coals alone. Both high NO{sub x} and low NO{sub x} combustion conditions will be investigated (unstaged and staged combustion). The proposed work uses existing analytical and experimental facilities and draws on 20 years of research on NO{sub x} and fine particles that has been funded by DOE in this laboratory. Four barrels of dried sewage sludge are currently in the laboratory. Insofar as possible pertinent mechanisms will be elucidated. Tradeoffs between CO{sub 2} control, NO{sub x} control, and inorganic fine particle and toxic metal emissions will be determined. Progress in the Sixth Quarter (January 1, 2002 through March 31, 2002) was slow because of slagging problems in the combustor. These required the combustor to be rebuilt, a job that is not yet complete. A paper describing our results heretofore has been accepted by the Journal Environmental Science and Technology.

  16. What can be learned from optical two-color diffusion and thermodiffusion experiments on ternary fluid mixtures?

    SciTech Connect (OSTI)

    Gebhardt, M.; Köhler, W.

    2015-02-28

    A number of optical techniques have been developed during the recent years for the investigation of diffusion and thermodiffusion in ternary fluid mixtures, both on ground and on-board the International Space Station. All these methods are based on the simultaneous measurement of refractive index changes at two different wavelengths. Here, we discuss and compare different techniques with the emphasis on optical beam deflection (OBD), optical digital interferometry, and thermal diffusion forced Rayleigh scattering (TDFRS). We suggest to formally split the data evaluation into a phenomenological parameterization of the measured transients and a subsequent transformation from the refractive index into the concentration space. In all experiments, the transients measured at two different detection wavelengths can be described by four amplitudes and two eigenvalues of the diffusion coefficient matrix. It turns out that these six parameters are subjected to large errors and cannot be determined reliably. Five good quantities, which can be determined with a high accuracy, are the stationary amplitudes, the initial slopes as defined in TDFRS experiments and by application of a heuristic criterion for similar curves, a certain mean diffusion coefficient. These amplitudes and slopes are directly linked to the Soret and thermodiffusion coefficients after transformation with the inverse contrast factor matrix, which is frequently ill-conditioned. Since only five out of six free parameters are reliably determined, including the single mean diffusion coefficient, the determination of the four entries of the diffusion matrix is not possible. We apply our results to new OBD measurements of the symmetric (mass fractions 0.33/0.33/0.33) ternary benchmark mixture n-dodecane/isobutylbenzene/1,2,3,4-tetrahydronaphthalene and existing literature data for the same system.

  17. Deflagration to detonation transition in mixtures of alkane LNG/LPG constituents with O/sub 2//N/sub 2/

    SciTech Connect (OSTI)

    Lindstedt, R.P.; Michels, H.J.

    1988-04-01

    Deflagration to detonation transitions (DDT) of methane, methane/ethane, ethane, propane, and butane in mixtures with increasing dilution of nitrogen have been studied in a smooth 2'' id detonation tube with a length/diameter ratio of 220. The results obtained demonstrate the presence of two regimes of DDT depending on the reactivity of the mixture. The first regime displays rapid acceleration to a stable detonation, while the second regime contains a quasistable, strong deflagration of rapidly increasing duration with decreasing mixture reactivity. It is established that the order of DDT under the conditions employed follows the order of autoignition temperatures for the fuels considered. The conditional use of transition parameters for estimates of relative detonabilities based on a qualitative similarity between induction times and times to transition is demonstrated to hold only for the first transition regime.

  18. Repetitively pulsed VUV emitter pumped by a barrier discharge in a mixture of helium with heavy water (D{sub 2}O) vapour

    SciTech Connect (OSTI)

    Shuaibov, Aleksandr K; Minya, A I; Hrytsak, R V; Gomoki, Z T; Shevera, Igor' V

    2012-08-31

    A gas-discharge lamp based on a barrier discharge in a He - D{sub 2}O mixture at partial pressures p{sub D2O} = 0.04 - 0.33 kPa and p{sub He} = 10 - 60 kPa is studied. The emission spectrum of the discharge plasma contains mainly the A {yields} X and C {yields} X bands of OD hydroxyl ({lambda} = 144 - 160 nm). The intensities of these bands are optimised by varying the pressure and composition of working mixtures. (laser applications and other topics in quantum electronics)

  19. Rheology Of MonoSodium Titanate (MST) And Modified Mst (mMST) Mixtures Relevant To The Salt Waste Processing Facility

    SciTech Connect (OSTI)

    Koopman, D. C.; Martino, C. J.; Shehee, T. C.; Poirier, M. R.

    2013-07-31

    The Savannah River National Laboratory performed measurements of the rheology of suspensions and settled layers of treated material applicable to the Savannah River Site Salt Waste Processing Facility. Suspended solids mixtures included monosodium titanate (MST) or modified MST (mMST) at various solid concentrations and soluble ion concentrations with and without the inclusion of kaolin clay or simulated sludge. Layers of settled solids were MST/sludge or mMST/sludge mixtures, either with or without sorbed strontium, over a range of initial solids concentrations, soluble ion concentrations, and settling times.

  20. The structural organization of N-methyl-2-pyrrolidone + water mixtures: A densitometry, x-ray diffraction, and molecular dynamics study

    SciTech Connect (OSTI)

    Usula, M.; Marincola, F. Cesare; Porcedda, S.; Mocci, F.; Gontrani, L.; Caminiti, R.

    2014-03-28

    A combined approach of molecular dynamics simulations, wide angle X-ray scattering experiments, and density measurements was employed to study the structural properties of N-methyl-2-pyrrolidone (NMP) + water mixtures over the whole concentration range. Remarkably, a very good agreement between computed and experimental densities and diffraction patterns was achieved, especially if the effect of the mixture composition on NMP charges is taken into account. Analysis of the intermolecular organization, as revealed by the radial and spatial distribution functions of relevant solvent atoms, nicely explained the density maximum observed experimentally.

  1. Process for upgrading heavy oils

    SciTech Connect (OSTI)

    LePage, J.F.; Marlino, G.

    1983-07-05

    The viscosity of heavy oils is reduced in order to facilitate pipe line transportation thereof. A fraction of the heavy oil is deasphalted in the presence of C/sub 5/-C/sub 7/ hydrocarbons, a portion of the separated asphalt is converted to synthesis gas, at least a portion of said gas is used to manufacture an alcohol mixture including methanol and C/sub 2/ to C/sub 10/ alcohols, which mixture is admixed with the heavy oil before transportation thereof. This procedure is more beneficial to the transported heavy oil than the prior processes which do not comprise the conversion of the asphalt fraction of the heavy oil.

  2. Protective shell of a sea-dwelling chiton paves the way towards...

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

    so that complete images of close objects such as predatory fish are formed and processed. ... so that complete images of close objects such as predatory fish are formed and processed. ...

  3. Paving the way to nanoionics: Atomic origin of barriers for ionic transport through interfaces

    SciTech Connect (OSTI)

    Frechero, M. A.; Rocci, M.; Sanchez-Santolino, G.; Kumar, Amit; Salafranca, J.; Schmidt, Rainer; Diaz-Guillen, M. R.; Dura, O. J.; Rivera-Calzada, A.; Mishra, R.; Jesse, Stephen; Pantelides, S. T.; Kalinin, Sergei V.; Varela, M.; Pennycook, S. J.; Santamaria, J.; Leon, C.

    2015-12-17

    The blocking of ion transport at interfaces strongly limits the performance of electrochemical nanodevices for energy applications. The barrier is believed to arise from space-charge regions generated by mobile ions by analogy to semiconductor junctions. Here we show that something different is at play by studying ion transport in a bicrystal of yttria (9% mol) stabilized zirconia (YSZ), an emblematic oxide ion conductor. Aberration-corrected scanning transmission electron microscopy (STEM) provides structure and composition at atomic resolution, with the sensitivity to directly reveal the oxygen ion profile. We find that Y segregates to the grain boundary at Zr sites, together with a depletion of oxygen that is confined to a small length scale of around 0.5 nm. Contrary to the main thesis of the space-charge model, there exists no evidence of a long-range O vacancy depletion layer. Combining ion transport measurements across a single grain boundary by nanoscale electrochemical strain microscopy (ESM), broadband dielectric spectroscopy measurements, and density functional calculations, we show that grain-boundary-induced electronic states act as acceptors, resulting in a negatively charged core. In conclusion, besides the possible effect of the modified chemical bonding, this negative charge gives rise to an additional barrier for ion transport at the grain boundary.

  4. Smart Grid Week: R&D Projects Paving the Way to the 21st Century...

    Office of Environmental Management (EM)

    ... understand the power distribution system and all of the components that affect its behavior, such as weather, retail markets, distributed resources, demand response and more. ...

  5. 'Sidecars' Pave the Way for Concurrent Analytics of Large-Scale...

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

    But as extreme-scale computing moves closer to reality, this approach is increasingly ... the simulation and much of the analysis is performed while the data are still in memory. ...

  6. St. Regis Mohawk Tribe Paves the Way to a Sustainable Future...

    Energy Savers [EERE]

    June 12, 2015 - 1:51pm Addthis Six photovoltaic arrays generate 32 kilowatts of energy to ... Indigenous Collaboration, Inc. Six photovoltaic arrays generate 32 kilowatts of energy ...

  7. Neilson visits German stellarator to pave way for U.S. researchers...

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

    Germany. (Photo by Elle StarkmanPPPL Office of Communications) Hutch Neilson is serving as the program technical coordinator for the U.S. at the Wendelstein 7-X project in Germany...

  8. How Additive Technologies Is Paving A Path To A Full-Scale Manufacturing

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

    Household heating bills expected to be lower this winter U.S. consumers are expected to pay less this winter on their home heating bills because of lower oil and natural gas prices and projected milder temperatures than last winter. In its new forecast, the U.S. Energy Information Administration said households that rely on heating oil which are mainly located in the Northeast will pay the lowest heating expenditures in 9 years down 25% from last winter as consumers are expected to save about

  9. Industry and Government: Paving the way towards electric modes of transportation

    SciTech Connect (OSTI)

    Hendrickson, G.L.

    1995-06-01

    Government officials and the private sector have taken a renewed interest in supporting the development and commercialization of electric vehicles in the United States. The current electric vehicle renaissance is the result of three very important factors: the need to improve our environment, particularly our urban air quality; the need to enhance our energy security through increased use of domestically produced fuels; and the desire to increase our global economic competitiveness. In the past decade, research and development efforts related to electric vehicles (EVs) have increased dramatically in response to national imperatives to address the transportation sector`s contribution to air pollution and to our reliance on foreign oil. Also, it is recognized that development and expansion of a U.S. electric vehicle could contribute to an international competitive advantage and could assist in the conversion of traditionally defense-related industries to civilian applications.

  10. Landmark Tribal Wind Energy Deal Paves the Way for Tribal-Federal...

    Office of Environmental Management (EM)

    tribal entity and federal government. The contract will help GSA meet the Administration's renewable energy goal ... contained in the Energy Policy Act of 2005 and Executive ...

  11. U.S.-CERN Agreement Paves Way for New Era of Scientific Discovery

    Office of Science (SC) Website

    to yield new insights into fundamental particles and the nature of matter and our universe. The agreement, signed in a White House ceremony by the U.S. Department of Energy,...

  12. C-105 heel pit removed and C-105 dome cut paves way for new retrieval technology

    SciTech Connect (OSTI)

    Mackey, Thomas C.; Sutey, Michael J.

    2013-06-10

    For just the second time, crews have cut a hole in the top of an active radioactive waste storage tank at Hanford. Workers began cutting a 55-inch hole in the top of Tank C-105 last Tuesday night on graveyard shift, completing the cut early Wednesday. The hole will allow for installation of the Mobile Arm Retrieval System (MARS) Vacuum into the tank. The cut was made through 17 inches of concrete and rebar using the newly developed rotary-core cutting system, which uses a laser-guided steel canister with teeth on the bottom to drill a round hole into the tank dome. The project was completed safely and successfully in a high-rad area without contamination or significant dose to workers.

  13. NREL Paves the Way to Commercialization of Silicon Ink (Fact Sheet)

    SciTech Connect (OSTI)

    Not Available

    2012-04-01

    In 2008, Innovalight, a start-up company in Sunnyvale, California, invented a liquid form of silicon, called Silicon Ink. It contains silicon nanoparticles that are suspended evenly within the solution. Those nanoparticles contain dopant atoms that can be driven into silicon solar cells, which changes the conductivity of the silicon and creates the internal electric fields that are needed to turn photons into electrons -- and thus into electricity. The ink is applied with a standard screen printer, already commonly used in the solar industry. The distinguishing feature of Silicon Ink is that it can be distributed in exact concentrations in precisely the correct locations on the surface of the solar cell. This allows most of the surface to be lightly doped, enhancing its response to blue light, while heavily doping the area around the electrical contacts, raising the conductivity in that area to allow the contact to work more efficiently. The accuracy and uniformity of the ink distribution allows the production of solar cells that achieve higher power production at a minimal additional cost.

  14. Performance Validation of Low-e Storm Windows Paves Way for Market Acceptance

    Broader source: Energy.gov [DOE]

    One recent addition to the arsenal of cost-effective efficiency measures is low-emissivity (low-e) storm windows. A low-e coating or glazing is a thin layer deposited directly on the surface of one...

  15. Small Businesses Pave the Way to $20 Million in Savings at Oak Ridge

    Broader source: Energy.gov [DOE]

    Earlier this week, the Office of Environmental Management shared the news that a new enclosure at Oak Ridge that processes radioactive casks has saved nearly $20 million by putting the facility on...

  16. Paving the way to nanoionics: Atomic origin of barriers for ionic transport through interfaces

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

    Frechero, M. A.; Rocci, M.; Sanchez-Santolino, G.; Kumar, Amit; Salafranca, J.; Schmidt, Rainer; Diaz-Guillen, M. R.; Dura, O. J.; Rivera-Calzada, A.; Mishra, R.; et al

    2015-12-17

    The blocking of ion transport at interfaces strongly limits the performance of electrochemical nanodevices for energy applications. The barrier is believed to arise from space-charge regions generated by mobile ions by analogy to semiconductor junctions. Here we show that something different is at play by studying ion transport in a bicrystal of yttria (9% mol) stabilized zirconia (YSZ), an emblematic oxide ion conductor. Aberration-corrected scanning transmission electron microscopy (STEM) provides structure and composition at atomic resolution, with the sensitivity to directly reveal the oxygen ion profile. We find that Y segregates to the grain boundary at Zr sites, together withmore » a depletion of oxygen that is confined to a small length scale of around 0.5 nm. Contrary to the main thesis of the space-charge model, there exists no evidence of a long-range O vacancy depletion layer. Combining ion transport measurements across a single grain boundary by nanoscale electrochemical strain microscopy (ESM), broadband dielectric spectroscopy measurements, and density functional calculations, we show that grain-boundary-induced electronic states act as acceptors, resulting in a negatively charged core. In conclusion, besides the possible effect of the modified chemical bonding, this negative charge gives rise to an additional barrier for ion transport at the grain boundary.« less

  17. On the preparation of TiAl alloy by direct reduction of the oxide mixtures in calcium chloride melt

    SciTech Connect (OSTI)

    Prabhat K. Tripathy; Derek J. Fray

    2011-11-01

    In recent years, TiAl-based intermetallic alloys are being increasingly considered for application in areas such as (i) automobile/transport sector (passenger cars, trucks and ships) (ii) aerospace industry (jet engines and High Speed Civil Transport propulsion system) and (iii) industrial gas turbines. These materials offer excellent (i) high temperature properties (at higher than 6000C) (ii) mechanical strength and (iii) resistance to corrosion and as a result have raised renewed interest. The combination of these properties make them possible replacement materials for traditional nickel-based super-alloys, which are nearly as twice as dense (than TiAl based alloys). Since the microstructures of these intermetallic alloys affect, to a significant extent, their ultimate performance, further improvements (by way of alteration/modification of these microstructures), have been the subject matter of intense research investigations. It has now been established that the presence of alloy additives, such as niobium, tantalum, manganese, boron, chromium, silicon, nickel and yttrium etc, in specific quantities, impart marked improvement to the properties, viz. fatigue strength, fracture toughness, oxidation resistance and room temperature ductility, of these alloys. From a number of possible alloy compositions, {gamma}-TiAl and Ti-Al-Nb-Cr have, of late, emerged as two promising engineering alloys/materials. . The conventional fabrication process of these alloys include steps such as melting, forging and heat treatment/annealing of the alloy compositions. However, an electrochemical process offers an attractive proposition to prepare these alloys, directly from the mixture of the respective oxides, in just one step. The experimental approach, in this new process, was, therefore, to try to electrochemically reduce the (mixed) oxide pellet to an alloy phase. The removal of oxygen, from the (mixed) oxide pellet, was effected by polarizing the oxide pellet against a graphite

  18. Binary nucleation rates for ethanol/water mixtures in supersonic Laval nozzles: Analyses by the first and second nucleation theorems

    SciTech Connect (OSTI)

    Tanimura, Shinobu; Pathak, Harshad; Wyslouzil, Barbara E.; Department of Chemistry and Biochemistry, The Ohio State University, 100 West 18th Avenue, Columbus, Ohio 43210

    2013-11-07

    We performed pressure trace measurements and small angle x-ray scattering measurements to determine the vapor-liquid nucleation rates of EtOH/H{sub 2}O mixtures including pure EtOH and pure H{sub 2}O in two supersonic Laval nozzles with different expansion rates. The nucleation rates varied from 0.9 × 10{sup 17} to 16 × 10{sup 17} cm{sup −3} s{sup −1} over the temperature range of 210 K to 230 K, EtOH activity range of 0 to 11.6, and H{sub 2}O activity range of 0 to 124. The first and second nucleation theorems were applied to the nucleation rates to estimate the sizes, compositions, and excess energies of the critical clusters. The critical clusters contained from 4 to 15 molecules for pure H{sub 2}O and EtOH/H{sub 2}O clusters, and from 16 to 23 molecules for pure EtOH clusters. Comparing the excess energies of the pure H{sub 2}O critical clusters with the results of a quantum-chemistry calculation suggested that the pre-factor of the theoretical nucleation rate is almost constant regardless of the monomer concentration. One possible explanation for this result is that cooling of the critical clusters limits the nucleation rate under the highly supersaturated conditions. The results of the analyses also yielded the relation between the surface energy and the composition of the critical clusters, where the latter are predicted to consist only of surface molecules. Applying this relationship to the EtOH/H{sub 2}O bulk liquid mixtures, we estimated the EtOH mole fraction in the surface layer and found it is higher than that derived from the surface tension based on the Gibbs adsorption equation when the EtOH mole fraction in the liquid is higher than about 0.2 mol/mol. This discrepancy was attributed to the existence of the EtOH depletion layer just below the surface layer of the liquid.

  19. GENERATION, TRANSPORT AND DEPOSITION OF TUNGSTEN-OXIDE AEROSOLS AT 1000 C IN FLOWING AIR-STEAM MIXTURES.

    SciTech Connect (OSTI)

    GREENE,G.A.; FINFROCK,C.C.

    2001-10-01

    Experiments were conducted to measure the rates of oxidation and vaporization of pure tungsten rods in flowing air, steam and air-steam mixtures in laminar flow. Also measured were the downstream transport of tungsten-oxide condensation aerosols and their region of deposition, including plateout in the superheated flow tube, rainout in the condenser and ambient discharge which was collected on an array of sub-micron aerosol filters. The nominal conditions of the tests, with the exception of the first two tests, were tungsten temperatures of 1000 C, gas mixture temperatures of 200 C and wall temperatures of 150 C to 200 C. It was observed that the tungsten oxidation rates were greatest in all air and least in all steam, generally decreasing non-linearly with increasing steam mole fraction. The tungsten oxidation rates in all air were more than five times greater than the tungsten oxidation rates in all steam. The tungsten vaporization rate was zero in all air and increased with increasing steam mole fraction. The vaporization rate became maximum at a steam mole fraction of 0.85 and decreased thereafter as the steam mole fraction was increased to unity. The tungsten-oxide was transported downstream as condensation aerosols, initially flowing upwards from the tungsten rod through an 18-inch long, one-inch diameter quartz tube, around a 3.5-inch radius, 90{sup o} bend and laterally through a 24-inch horizontal run. The entire length of the quartz glass flow path was heated by electrical resistance clamshell heaters whose temperatures were individually controlled and measured. The tungsten-oxide plateout in the quartz tube was collected, nearly all of which was deposited at the end of the heated zone near the entrance to the condenser which was cold. The tungsten-oxide which rained out in the condenser as the steam condensed was collected with the condensate and weighed after being dried. The aerosol smoke which escaped the condenser was collected on the sub

  20. Accelerated screening methods for determining chemical and thermal stability of refreigerant-lubricant mixtures. Part II: Experimental comparison and verification of methods. Final report, volume I

    SciTech Connect (OSTI)

    Kauffman, R.

    1995-09-01

    The research reported herein was performed to develop an accelerated screening method for determining the chemical and thermal stabilities of refrigerant/lubricant mixtures. The developed screening method was designed to be safe and to produce accelerated stability rankings that are in agreement with the rankings determined by the current test, Sealed Glass Tube Method to Test the Chemical Stability of Material for Use Within Refrigerant Systems, ANSI/ASHRAE Method 97-1989. The accelerated screening test developed was designed to be independent of refrigerant and lubricant compositions and to be used with a wide variety of construction materials. The studied refrigerants included CFC-11, CFC-12, HCFC-22, HFC-134a, and HFC-32/HFC-134a (zeotrope 30:70 by weight). The studied lubricants were selected from the chemical classes of mineral oil, alkylbenzene oil, polyglycols, and polyolesters. The work reported herein was performed in three phases. In the first phase, previously identified thermal analytical techniques were evaluated for development into an accelerated screening method for refrigerant/lubricant mixtures. The identified thermal analytical techniques used in situ measurements of color, temperature, or conductivity to monitor the degradation of the heated refrigerant/lubricant mixtures. The identified thermal analytical techniques also used catalysts such as ferric fluoride to accelerate the degradation of the heated refrigerant/lubricant mixtures. The thermal analytical technique employing in situ conductivity measurements was determined to be the most suitable for development into an accelerated screening method.