National Library of Energy BETA

Sample records for byproducts ab source

  1. Current regulatory and licensing status for byproduct sources, facilities and applications

    SciTech Connect (OSTI)

    Tingey, G.L.; Jensen, G.A.; Hazelton, R.F.

    1985-02-01

    Public use of nuclear byproducts, especially radioactive isotopes, will require approval by various regulatory agencies. Use of cesium-137 as an irradiation source for sterilizing medical products will require US Nuclear Regulatory Commission (NRC) approval. Two applications have been filed with NRC, and approval is expected soon. Widespread use of irradiation for food products depends on a favorable ruling by the Food and Drug Administration (FDA). A ruling is pending that would permit irradiation of fruits and vegetables up to 100 krad. NRC also controls the use of isotopes in remote power generators, but little regulatory action has been required in recent years. Recent development of radioluminescent (RL) lighting for runway lights has led to interest by commercial manufacturers. At the present time, a license has been issued to at least one manufacturer for sale of tritium-powered runway lights. 28 refs., 1 fig.

  2. Use of Xenon Difluoride to Clean Hazardous By-Products in Ion Implanter Source Housings, Turbo Pumps, and Fore-Lines

    SciTech Connect (OSTI)

    Despres, J.; Chambers, B.; Bishop, S.; Kaim, R.; Letaj, S.; Sergi, S.; Sweeney, J.; Tang, Y.; Wilson, S.; Yedave, S.

    2011-01-07

    This paper describes the use of xenon difluoride to clean deposits in the source housing, source turbo pump, and source turbo pump fore-line of ion implanters. Xenon difluoride has previously been shown to be effective in increasing the lifetime of the ion source{sup 1,2} and this paper presents an extension of the technology to other areas within the tool. Process by-products that are deposited in the source housing, turbo pump, and turbo pump fore-line can not only pose productivity issues, in the case of coatings on insulators, but can also be flammable and toxic in the case of deposits formed within the turbo pump and fore-line. The results presented in this paper detail the initial successful examples of using xenon difluoride to clean these deposits.ATMI has shown that xenon difluoride is capable of cleaning an insulator in an ion implanter. Typically during use an insulator will become increasingly coated with deposits that could lead to productivity problems. By introducing xenon difluoride into the source housing the insulator residues were effectively cleaned in-situ, thereby extending the maintenance interval and resulting in significant consumable savings.Similar deposits that form in the turbo pump and fore-line could not only lead to production problems due to turbo pump failure or fore-line build-up, but pose significant health risks during the ex-situ cleaning process. Through internal testing ATMI has shown that xenon difluoride is able to clean phosphorus and germanium deposits located within a turbo pump. Additionally, testing has demonstrated that the turbo pump fore-line can be cleaned in-situ without the need to remove these components, thereby virtually eliminating the possibility of fires. The cleaning reaction progress and by-products were monitored using FTIR spectrometry and thermocouples.In order to efficiently clean the source housing, turbo pump, and turbo pump fore-line xenon difluoride delivery must be optimized. This paper also

  3. Combustion Byproducts Recycling Consortium

    SciTech Connect (OSTI)

    Paul Ziemkiewicz; Tamara Vandivort; Debra Pflughoeft-Hassett; Y. Paul chugh; James Hower

    2008-08-31

    This paper discusses the roles and responsibilities of each position within the Combustion Byproducts Recyclcing Consortium.

  4. Combustion Byproducts Recycling Consortium

    SciTech Connect (OSTI)

    Paul Ziemkiewicz; Tamara Vandivort; Debra Pflughoeft-Hassett; Y. Paul Chugh; James Hower

    2008-08-31

    Ashlines: To promote and support the commercially viable and environmentally sound recycling of coal combustion byproducts for productive uses through scientific research, development, and field testing.

  5. Combustion Byproducts Recycling Consortium

    SciTech Connect (OSTI)

    Ziemkiewicz, Paul; Vandivort, Tamara; Pflughoeft-Hassett, Debra; Chugh, Y Paul; Hower, James

    2008-08-31

    Each year, over 100 million tons of solid byproducts are produced by coal-burning electric utilities in the United States. Annual production of flue gas desulfurization (FGD) byproducts continues to increase as the result of more stringent sulfur emission restrictions. In addition, stricter limits on NOx emissions mandated by the 1990 Clean Air Act have resulted in utility burner/boiler modifications that frequently yield higher carbon concentrations in fly ash, which restricts the use of the ash as a cement replacement. Controlling ammonia in ash is also of concern. If newer, clean coal combustion and gasification technologies are adopted, their byproducts may also present a management challenge. The objective of the Combustion Byproducts Recycling Consortium (CBRC) is to develop and demonstrate technologies to address issues related to the recycling of byproducts associated with coal combustion processes. A goal of CBRC is that these technologies, by the year 2010, will lead to an overall ash utilization rate from the current 34% to 50% by such measures as increasing the current rate of FGD byproduct use and increasing in the number of uses considered allowable under state regulations. Another issue of interest to the CBRC would be to examine the environmental impact of both byproduct utilization and disposal. No byproduct utilization technology is likely to be adopted by industry unless it is more cost-effective than landfilling. Therefore, it is extremely important that the utility industry provide guidance to the R&D program. Government agencies and privatesector organizations that may be able to utilize these materials in the conduct of their missions should also provide input. The CBRC will serve as an effective vehicle for acquiring and maintaining guidance from these diverse organizations so that the proper balance in the R&D program is achieved.

  6. Combustion Byproducts Recycling Consortium

    SciTech Connect (OSTI)

    Paul Ziemkiewicz; Tamara Vandivort; Debra Pflughoeft-Hassett; Y. Paul Chugh; James Hower

    2008-08-31

    Each year, over 100 million tons of solid byproducts are produced by coal-burning electric utilities in the United States. Annual production of flue gas desulfurization (FGD) byproducts continues to increase as the result of more stringent sulfur emission restrictions. In addition, stricter limits on NOx emissions mandated by the 1990 Clean Air Act have resulted in utility burner/boiler modifications that frequently yield higher carbon concentrations in fly ash, which restricts the use of the ash as a cement replacement. Controlling ammonia in ash is also of concern. If newer, 'clean coal' combustion and gasification technologies are adopted, their byproducts may also present a management challenge. The objective of the Combustion Byproducts Recycling Consortium (CBRC) is to develop and demonstrate technologies to address issues related to the recycling of byproducts associated with coal combustion processes. A goal of CBRC is that these technologies, by the year 2010, will lead to an overall ash utilization rate from the current 34% to 50% by such measures as increasing the current rate of FGD byproduct use and increasing in the number of uses considered 'allowable' under state regulations. Another issue of interest to the CBRC would be to examine the environmental impact of both byproduct utilization and disposal. No byproduct utilization technology is likely to be adopted by industry unless it is more cost-effective than landfilling. Therefore, it is extremely important that the utility industry provide guidance to the R&D program. Government agencies and private-sector organizations that may be able to utilize these materials in the conduct of their missions should also provide input. The CBRC will serve as an effective vehicle for acquiring and maintaining guidance from these diverse organizations so that the proper balance in the R&D program is achieved.

  7. Combustion Byproducts Recycling Consortium

    SciTech Connect (OSTI)

    Paul Ziemkiewicz; Tamara Vandivort; Debra Pflughoeft-Hassett; Y. Paul Chugh; James Hower

    2008-08-31

    The Combustion Byproducts Recycling Consortium (CBRC) program was developed as a focused program to remove and/or minimize the barriers for effective management of over 123 million tons of coal combustion byproducts (CCBs) annually generated in the USA. At the time of launching the CBRC in 1998, about 25% of CCBs were beneficially utilized while the remaining was disposed in on-site or off-site landfills. During the ten (10) year tenure of CBRC (1998-2008), after a critical review, 52 projects were funded nationwide. By region, the East, Midwest, and West had 21, 18, and 13 projects funded, respectively. Almost all projects were cooperative projects involving industry, government, and academia. The CBRC projects, to a large extent, successfully addressed the problems of large-scale utilization of CCBs. A few projects, such as the two Eastern Region projects that addressed the use of fly ash in foundry applications, might be thought of as a somewhat smaller application in comparison to construction and agricultural uses, but as a novel niche use, they set the stage to draw interest that fly ash substitution for Portland cement might not attract. With consideration of the large increase in flue gas desulfurization (FGD) gypsum in response to EPA regulations, agricultural uses of FGD gypsum hold promise for large-scale uses of a product currently directed to the (currently stagnant) home construction market. Outstanding achievements of the program are: (1) The CBRC successfully enhanced professional expertise in the area of CCBs throughout the nation. The enhanced capacity continues to provide technology and information transfer expertise to industry and regulatory agencies. (2) Several technologies were developed that can be used immediately. These include: (a) Use of CCBs for road base and sub-base applications; (b) full-depth, in situ stabilization of gravel roads or highway/pavement construction recycled materials; and (c) fired bricks containing up to 30%-40% F

  8. Chemical production from industrial by-product gases: Final report

    SciTech Connect (OSTI)

    Lyke, S.E.; Moore, R.H.

    1981-04-01

    The potential for conservation of natural gas is studied and the technical and economic feasibility and the implementation of ventures to produce such chemicals using carbon monoxide and hydrogen from byproduct gases are determined. A survey was performed of potential chemical products and byproduct gas sources. Byproduct gases from the elemental phosphorus and the iron and steel industries were selected for detailed study. Gas sampling, preliminary design, market surveys, and economic analyses were performed for specific sources in the selected industries. The study showed that production of methanol or ammonia from byproduct gas at the sites studied in the elemental phosphorus and the iron and steel industries is technically feasible but not economically viable under current conditions. Several other applications are identified as having the potential for better economics. The survey performed identified a need for an improved method of recovering carbon monoxide from dilute gases. A modest experimental program was directed toward the development of a permselective membrane to fulfill that need. A practical membrane was not developed but further investigation along the same lines is recommended. (MCW)

  9. Bayer ABS Ltd formerly ABS Industries Ltd | Open Energy Information

    Open Energy Info (EERE)

    (formerly ABS Industries Ltd) Place: Vadodara, Gujarat, India Zip: 335871 Sector: Wind energy Product: Bayer ABS is a plastic, chemical, and pharmaceutical company. Has...

  10. Minesto AB | Open Energy Information

    Open Energy Info (EERE)

    Minesto AB Jump to: navigation, search Name: Minesto AB Region: Sweden Sector: Marine and Hydrokinetic Website: http: This company is listed in the Marine and Hydrokinetic...

  11. ABS Biodiesel | Open Energy Information

    Open Energy Info (EERE)

    Biodiesel Jump to: navigation, search Name: ABS Biodiesel Place: United Kingdom Product: UK-based biodiesel producer developing a plant in Avonmouth, near Bristol. References: ABS...

  12. Omega-AB

    Energy Science and Technology Software Center (OSTI)

    2007-05-01

    A hierarchical, modular modeling environment for hybrid simulations of sequential-modular, systems dynamics, discrete-event, and agent-based paradigms Omega-AB models contain a hierarchically-defined module tree that specifies the execution logic for the simulation, and a multi-network graph that defines the environment within which the simulation occurs. Modules are the fundamental buildinig blocks of an Omega-AB model and can define anything from a basic mathematical operation to a complex behavioral response model. Modules rely on the "plug-in" conceptmore » which allows developers to build independent module libraries that are gathered, linked, and instantiated by the Omega-AB engine at run time. Inter-module communication occurs through two complimentary systems: pull-based "ports" for general computation patterns and push-based "plugs" for event processing. The simulation environment is an abstract graph of nodes and links. Agents (module sub-trees headed up by an Agent module) reside at nodes and relate to their neighbors through typed links. To facilitate the construction and visualization of complex, interacting networks with dramatically different structure, Omega-AB provides a system for organizing the nodes into hierarchica trees that describe "slices" of the overall network.« less

  13. Design manual for management of solid by-products from advanced coal technologies

    SciTech Connect (OSTI)

    1994-10-01

    Developing coal conversion technologies face major obstacles in byproduct management. This project has developed several management strategies based on field trials of small-scale landfills in an earlier phase of the project, as well as on published/unpublished sources detailing regulatory issues, current industry practice, and reuse opportunities. Field testing, which forms the basis for several of the disposal alternatives presented in this design manual, was limited to byproducts from Ca-based dry SO{sub 2} control technologies, circulating fluidized bed combustion ash, and bubbling bed fluidized bed combustion ash. Data on byproducts from other advanced coal technologies and on reuse opportunities are drawn from other sources (citations following Chapter 3). Field results from the 5 test cases examined under this project, together with results from other ongoing research, provide a basis for predictive modeling of long-term performance of some advanced coal byproducts on exposure to ambient environment. This manual is intended to provide a reference database and development plan for designing, permitting, and operating facilities where advanced coal technology byproducts are managed.

  14. H. R. 1198: A Bill to amend the Internal Revenue Code of 1986 to restore the application of the credit for producing fuels from a nonconventional source to steam produced from agricultural byproducts, introduced in the House of Representatives, One Hundred Second Congress, First Session, February 28, 1991

    SciTech Connect (OSTI)

    Not Available

    1991-01-01

    The bill would allow a tax credit for steam produced from solid agricultural byproducts (including sugar cane residues, but not including timber byproducts). The bill applies to steam produced which is sold after December 31, 1989, the effective date of this amendment. Steam produced which is used by the taxpayer in his trade or business would be treated as having been sold by the taxpayer to an unrelated person on the date on which it is used.

  15. Land application uses for dry FGD by-products. Phase 2 report

    SciTech Connect (OSTI)

    Stehouwer, R.; Dick, W.; Bigham, J.

    1996-03-01

    A study was initiated in December 1990 to demonstrate large volume beneficial uses of flue gas desulfurization (FGD) by-products. A Phase 1 report provided results of an extensive characterization of chemical, physical, mineralogical and engineering properties of 58 dry FGD by-product samples. The Phase 1 report concluded that high volume beneficial reuses will depend on the economics related to their ability to substitute for existing materials for various types of applications (e.g. as an agricultural liming material, soil borrow for highway embankment construction, and reclamation of active and abandoned surface coal mine lands). Phase 2 objectives were (1) to conduct laboratory and greenhouse studies of FGD and soil (spoil) mixtures for agronomic and engineering applications, (2) to initiate field studies related to high volume agronomic and engineering uses, and (3) to develop the basic methodological framework for estimation of the financial and economic costs and benefits to society of several FGD reuse options and to make some preliminary runs of economic models. High volume beneficial reuses of dry FGD by-products have been successfully demonstrated. Adverse environmental impacts have been negligible. Although few sources of dry FGD by-products currently exist in Ohio and the United States there is potential for smaller coal-fired facilities to adopt S0{sub 2} scrubbing technologies that produce dry FGD material. Also much of what we have learned from studies on dry FGD by-products is applicable to the more prevalent wet FGD by-products. The adaptation of the technologies demonstrated in this project seem to be not only limited by economic constraints, but even more so, by the need to create awareness of the market potential of using these FGD by-products.

  16. Advanced Gasification By-Product Utilization

    SciTech Connect (OSTI)

    Rodney Andrews; Aurora Rubel; Jack Groppo; Brock Marrs; Ari Geertsema; Frank Huggins; M. Mercedes Maroto-Valer; Brandie M. Markley; Zhe Lu; Harold Schobert

    2006-08-31

    With the passing of legislation designed to permanently cap and reduce mercury emissions from coal-fired utilities, it is more important than ever to develop and improve upon methods of controlling mercury emissions. One promising technique is carbon sorbent injection into the flue gas of the coal-fired power plant. Currently, this technology is very expensive as costly commercially activated carbons are used as sorbents. There is also a significant lack of understanding of the interaction between mercury vapor and the carbon sorbent, which adds to the difficulty of predicting the amount of sorbent needed for specific plant configurations. Due to its inherent porosity and adsorption properties as well as on-site availability, carbons derived from gasifiers are potential mercury sorbent candidates. Furthermore, because of the increasing restricted use of landfilling, the coal industry is very interested in finding uses for these materials as an alternative to the current disposal practice. The results of laboratory investigations and supporting technical assessments conducted under DOE Subcontract No. DE-FG26-03NT41795 are reported. This contract was with the University of Kentucky Research Foundation, which supports work with the University of Kentucky Center for Applied Energy Research and The Pennsylvania State University Energy Institute. The worked described was part of a project entitled ''Advanced Gasification By-Product Utilization''. This work involved the development of technologies for the separation and characterization of coal gasification slags from operating gasification units, activation of these materials to increase mercury and nitrogen oxide capture efficiency, assessment of these materials as sorbents for mercury and nitrogen oxides, assessment of the potential for leaching of Hg captured by the carbons, analysis of the slags for cement applications, and characterization of these materials for use as polymer fillers. The objectives of this

  17. Understanding Hazardous Combustion Byproducts Reduces Factors Impacting

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

    Climate Change Hazardous Combustion Byproducts Reduces Factors Impacting Climate Change - 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 Energy Storage Nuclear Power & Engineering Grid Modernization Battery

  18. SOURCE?

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

    on the direction and maintanence of the core code * The code base is platform- neutral ... Its core function is to allow users to merge multiple sources of building energy data into ...

  19. Solibro AB | Open Energy Information

    Open Energy Info (EERE)

    Sweden Zip: 751 21 Sector: Solar Product: Develops thin film solar cells using copper indium gallium diselenide (CIGS). References: Solibro AB1 This article is a stub....

  20. Interproject Service AB | Open Energy Information

    Open Energy Info (EERE)

    AB Jump to: navigation, search Name: Interproject Service AB Region: Sweden Sector: Marine and Hydrokinetic Website: www.ips-ab.com This company is listed in the Marine and...

  1. Arontis Solar Concentrator AB | Open Energy Information

    Open Energy Info (EERE)

    Arontis Solar Concentrator AB Jump to: navigation, search Name: Arontis Solar Concentrator AB Place: Harnosand, Sweden Zip: SE-871 31 Product: Developer of a medium-concentrating,...

  2. Effpower AB | Open Energy Information

    Open Energy Info (EERE)

    Zip: SE-422 49 Product: Develops, manufactures and markets cost-competitive bipolar batteries based on lead acid chemistry. References: Effpower AB1 This article is a stub. You...

  3. Sol Voltaics AB | Open Energy Information

    Open Energy Info (EERE)

    Voltaics AB Jump to: navigation, search Name: Sol Voltaics AB Place: Lund, Sweden Zip: 223 70 Sector: Solar Product: QuNano spin-off aimed at developing and commercialising...

  4. Electricity from coal and utilization of coal combustion by-products

    SciTech Connect (OSTI)

    Demirbas, A.

    2008-07-01

    Most electricity in the world is conventionally generated using coal, oil, natural gas, nuclear energy, or hydropower. Due to environmental concerns, there is a growing interest in alternative energy sources for heat and electricity production. The major by-products obtained from coal combustion are fly ash, bottom ash, boiler slag, and flue gas desulfurization (FGD) materials. The solid wastes produced in coal-fired power plants create problems for both power-generating industries and environmentalists. The coal fly ash and bottom ash samples may be used as cementitious materials.

  5. Land application uses for dry FGD by-products

    SciTech Connect (OSTI)

    Bigham, J.; Dick, W.; Forster, L.; Hitzhusen, F.; McCoy, E.; Stehouwer, R.; Traina, S.; Wolfe, W. ); Haefner, R. . Water Resources Div.)

    1993-04-01

    The 1990 amendments to the Clean Air Act have spurred the development of flue gas desulfurization (FGD) processes, several of which produce a dry, solid by-product material consisting of excess sorbent, reaction products containing sulfates and sulfites, and coal fly ash. Presently FGD by-product materials are treated as solid wastes and must be landfilled. However, landfill sites are becoming more scarce and tipping fees are constantly increasing. It is, therefore, highly desirable to find beneficial reuses for these materials provided the environmental impacts are minimal and socially acceptable. Phase 1 results of a 4 and 1/2 year study to demonstrate large volume beneficial uses of FGD by-products are reported. The purpose of the Phase 1 portion of the project was to characterize the chemical, physical, mineralogical and engineering properties of the FGD by-product materials obtained from various FGD technologies being developed in the state of Ohio. Phase 1 also involved the collection of baseline economic data related to the beneficial reuse of these FGD materials. A total of 58 samples were collected and analyzed. In summary Phase 1 results revealed that FGD by-product materials are essentially coal fly ash materials diluted with unreacted sorbent and reaction products. High volume beneficial reuses will depend on the economics of their substituting for existing materials for various types of applications (e.g. as an agricultural liming material, soil borrow for highway embankment construction, and reclamation of active and abandoned surface coal mines). Environmental constraints to the beneficial reuse of dry FGD byproduct materials, based on laboratory and leachate studies, seem to be less than for coal fly ash.

  6. DEVELOPMENT OF ACTIVATED CARBONS FROM COAL COMBUSTION BY-PRODUCTS

    SciTech Connect (OSTI)

    Harold H. Schobert; M. Mercedes Maroto-Valer; Zhe Lu

    2003-09-30

    The increasing role of coal as a source of energy in the 21st century will demand environmental and cost-effective strategies for the use of coal combustion by-products (CCBPs), mainly unburned carbon in fly ash. Unburned carbon is nowadays regarded as a waste product and its fate is mainly disposal, due to the present lack of efficient routes for its utilization. However, unburned carbon is a potential precursor for the production of adsorbent carbons, since it has gone through a devolatilization process while in the combustor, and therefore, only requires to be activated. Accordingly, the principal objective of this work was to characterize and utilize the unburned carbon in fly ash for the production of activated carbons. The unburned carbon samples were collected from different combustion systems, including pulverized utility boilers, a utility cyclone, a stoker, and a fluidized bed combustor. LOI (loss-on-ignition), proximate, ultimate, and petrographic analyses were conducted, and the surface areas of the samples were characterized by N2 adsorption isotherms at 77K. The LOIs of the unburned carbon samples varied between 21.79-84.52%. The proximate analyses showed that all the samples had very low moisture contents (0.17 to 3.39 wt %), while the volatile matter contents varied between 0.45 to 24.82 wt%. The elemental analyses show that all the unburned carbon samples consist mainly of carbon with very little hydrogen, nitrogen, sulfur and oxygen In addition, the potential use of unburned carbon as precursor for activated carbon (AC) was investigated. Activated carbons with specific surface area up to 1075m{sup 2}/g were produced from the unburned carbon. The porosity of the resultant activated carbons was related to the properties of the unburned carbon feedstock and the activation conditions used. It was found that not all the unburned carbon samples are equally suited for activation, and furthermore, their potential as activated carbons precursors could be

  7. AB Tehachapi Wind Farm | Open Energy Information

    Open Energy Info (EERE)

    In Service Owner Coram Energy Developer AB Energy Energy Purchaser Southern California Edison Co Location Tehachapi CA Coordinates 35.053289, -118.268631 Show Map Loading...

  8. PV Enterprise Sweden AB | Open Energy Information

    Open Energy Info (EERE)

    Sweden AB Place: Vilshult, Sweden Zip: 290 62 Product: Swedish manufacturer of photovoltaic modules, connection boxes, and installation equipment. Coordinates: 56.355011,...

  9. Environmentally Safe, Large Volume Utilization Applications for Gasification Byproducts

    SciTech Connect (OSTI)

    J.G. Groppo; R. Rathbone

    2008-06-30

    Samples of gasification by-products produced at Polk Station and Eastman Chemical were obtained and characterized. Bulk samples were prepared for utilization studies by screening at the appropriate size fractions where char and vitreous frit distinctly partitioned. Vitreous frit was concentrated in the +20 mesh fraction while char predominated in the -20+100 mesh fraction. The vitreous frit component derived from each gasifier slag source was evaluated for use as a pozzolan and as aggregate. Pozzolan testing required grinding the frit to very fine sizes which required a minimum of 60 kwhr/ton. Grinding studies showed that the energy requirement for grinding the Polk slag were slightly higher than for the Eastman slag. Fine-ground slag from both gasifiers showed pozzoalnic activity in mortar cube testing and met the ASTM C618 strength requirements after only 3 days. Pozzolanic activity was further examined using British Standard 196-5, and results suggest that the Polk slag was more reactive than the Eastman slag. Neither aggregate showed significant potential for undergoing alkali-silica reactions when used as concrete aggregate with ASTM test method 1260. Testing was conducted to evaluate the use of the frit product as a component of cement kiln feed. The clinker produced was comprised primarily of the desirable components Ca{sub 3}SiO{sub 5} and Ca{sub 2}SiO{sub 4} after raw ingredient proportions were adjusted to reduce the amount of free lime present in the clinker. A mobile processing plant was designed to produce 100 tons of carbon from the Eastman slag to conduct evaluations for use as recycle fuel. The processing plant was mounted on a trailer and hauled to the site for use. Two product stockpiles were generated; the frit stockpile contained 5% LOI while the carbon stockpile contained 62% LOI. The products were used to conduct recycle fuel tests. A processing plant was designed to separate the slag produced at Eastman into 3 usable products. The coarse frit

  10. Plasma furnace treatment of metallurgical by-product streams

    SciTech Connect (OSTI)

    Whellock, J.G.; Heanley, C.P.; Chapman, C.S.

    1997-12-31

    It is a common misconception that plasma furnace technology only has application for exotic and very high temperature processes. With the increasing importance placed on waste minimization and the environmental constraints imposed on heavy metals present in byproducts from mainstream operations, plasma technology is finding widespread application. Tetronics is a premier supplier of plasma tundish heating systems for the steel industry. More recently the company has found growing interest in electric arc furnace dust treatment, lead blast furnace slag treatment and metal recovery, copper, nickel and cobalt scavenging from primary smelter slags, dross treatment, platinum group metals (PGM) recovery from catalysts and vitrification and detoxification of heavy metal contaminated waste byproducts. The principal advantages of the plasma arc technology are the close metallurgical control of the furnace environment, minimal off-gas handling requirements and overall high energy efficiency of the processes. A number of applications in the ferrous and non-ferrous metals industry are described.

  11. Producing Beneficial Materials from Biomass and Biodiesel Byproducts -

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

    Energy Innovation Portal Biomass and Biofuels Biomass and Biofuels Find More Like This Return to Search Producing Beneficial Materials from Biomass and Biodiesel Byproducts Lawrence Berkeley National Laboratory Contact LBL About This Technology Technology Marketing SummaryResearchers at Berkeley Lab have created a process to produce olefins from polyols that may be biomass derived. The team is also the first to introduce a method of producing high purity allyl alcohol at a large scale by

  12. Ab Initio Calculations Of Nuclear Reactions And Exotic Nuclei...

    Office of Scientific and Technical Information (OSTI)

    Technical Report: Ab Initio Calculations Of Nuclear Reactions And Exotic Nuclei Citation Details In-Document Search Title: Ab Initio Calculations Of Nuclear Reactions And Exotic ...

  13. Network for ab initio Many-body Methods: Development, Education...

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

    Miguel Morales is Prinicipal Investigator on Network for ab initio Many-body Methods: Development, Education and Training. Network for ab initio Many-body Methods: Development,...

  14. Economical Recovery of By-products in the Mining Industry

    SciTech Connect (OSTI)

    Berry, J.B.

    2001-12-05

    The U.S. Department of Energy (DOE) Office of Industrial Technologies, Mining Industry of the Future Program, works with the mining industry to further the industry's advances toward environmental and economic goals. Two of these goals are (1) responsible emission and by-product management and (2) low-cost and efficient production (DOE 1998). DOE formed an alliance with the National Mining Association (NMA) to strengthen the basis for research projects conducted to benefit the mining industry. NMA and industry representatives actively participate in this alliance by evaluating project proposals and by recommending research project selection to DOE. Similarly, the National Research Council (NRC) has recently and independently recommended research and technology development opportunities in the mining industry (NRC 2001). The Oak Ridge National Laboratory (ORNL) and Colorado School of Mines engineers conducted one such project for DOE regarding by -product recovery from mining process residue. The results of this project include this report on mining industry process residue and waste with opportunity for by-product recovery. The U.S. mineral processing industry produces over 30,000,000 metric tons per year of process residue and waste that may contain hazardous species as well as valuable by-products. This study evaluates the copper, lead, and zinc commodity sectors which generate between 23,300,000 and 24,000,000 metric tons per year. The distribution of residual elements in process residues and wastes varies over wide ranges* because of variations in the original ore content as it is extracted from the earth's crust. In the earth's crust, the elements of interest to mining fall into two general geochemical classifications, lithophiles and chalcophiles** (Cox 1997). Groups of elements are almost always present together in a given geochemical classification, but the relative amounts of each element are unique to a particular ore body. This paper generally describes

  15. Microsoft Word - GLotay_abs

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

    Cyclotron Colloquium, Tuesday, March 2, 2010 at 3:45 pm "Determining the stellar origin of the cosmic γ-ray emitting nucleus 26 Al" Dr. Gavin Lotay University of Edinburgh, Edinburgh, UK Abstract: Radioactive species produced in stellar interiors represent potential sources of cosmic γ rays. During the last decade, a new generation of telescopes has allowed for the observation of several cosmic γ-ray emitters throughout the interstellar medium (ISM), providing a versatile tool for

  16. The fate of mercury in coal utilization byproducts

    SciTech Connect (OSTI)

    William Aljoe; Thomas Feeley; James Murphy; Lynn Brickett [US Department of Energy's National Energy Technology Laboratory (DOE/NETL), Pittsburgh, PA (US)

    2005-05-01

    The US Department of Energy National Energy Technology Laboratory's (DOE/NETL's) research has helped to further scientific understanding of the environmental characteristics of coal-utilization by-products (CUBs) in both disposal and beneficial utilization applications. The following general observations can be drawn from results of the research that has been carried out to date: There appears to be only minimal mercury release to the environment in typical disposal or utilization applications for CUBs generated using activated carbon injection (ACI) control technologies; There appears to be only minimal mercury release to the environment in typical disposal and utilization applications for CUBs generated using wet FGD control technologies. The potential release of mercury from wet FGD gypsum during the manufacture of wallboard is still under evaluation; The amount of mercury leached from CUB samples tested by DOE/NETL is significantly lower than the federal drinking water standards and water quality criteria for the protection of aquatic life; in many cases, leachate concentrations were below the standard test method detection limits. DOE/NETL will continue to partner with industry and other key stakeholders in carrying out research to better understand the fate of mercury and other trace elements in the byproducts from coal combustion. 16 refs., 6 tabs.

  17. Clean coal technology. Coal utilisation by-products

    SciTech Connect (OSTI)

    2006-08-15

    The need to remove the bulk of ash contained in flue gas from coal-fired power plants coupled with increasingly strict environmental regulations in the USA result in increased generation of solid materials referred to as coal utilisation by-products, or CUBs. More than 40% of CUBs were sold or reused in the USA in 2004 compared to less than 25% in 1996. A goal of 50% utilization has been established for 2010. The American Coal Ash Association (ACCA) together with the US Department of Energy's Power Plant Improvement Initiative (PPPI) and Clean Coal Power Initiative (CCPI) sponsor a number of projects that promote CUB utilization. Several are mentioned in this report. Report sections are: Executive summary; Introduction; Where do CUBs come from?; Market analysis; DOE-sponsored CUB demonstrations; Examples of best-practice utilization of CUB materials; Factors limiting the use of CUBs; and Conclusions. 14 refs., 1 fig., 5 tabs., 14 photos.

  18. Geotechnical characterization of several coal combustion by-products

    SciTech Connect (OSTI)

    Zhang, M.; Feng, A.; Deschamps, R.

    1996-11-01

    The generation of coal combustion by-products (CCBPs) by utility companies and private industries is increasing and the trend is expected to continue in the foreseeable future. A large roadway embankment is currently under construction using several CCBPs as structural fill. The project site is located on the Purdue University campus in West Lafayette, Indiana. A paved road will be constructed on the crest of this embankment to extend Russell Street, providing convenient access to the southern expansion of Purdue University`s campus. The embankment is approximately 700 feet in length, with a maximum crest height of about 40 feet. The crest will be about 50 feet wide and a maximum base width of 250 feet. A comprehensive geotechnical laboratory testing and field monitoring program is being implemented to evaluate the physical and mechanical characteristics of various CCBPs and to predict the performance of the embankment during and after construction. Preliminary geotechnical laboratory testing results are presented in this paper.

  19. Wastes and by-products - alternatives for agricultural use

    SciTech Connect (OSTI)

    Boles, J.L.; Craft, D.J.; Parker, B.R.

    1994-10-01

    Top address a growing national problem with generation of wastes and by-products, TVA has been involved for several years with developing and commercializing environmentally responsible practices for eliminating, minimizing, or utilizing various wastes/by-products. In many cases, reducing waste generation is impractical, but the wastes/by-products can be converted into other environmentally sound products. In some instances, conversion of safe, value-added agricultural products in the best or only practical alternative. TVA is currently involved with a diversity of projects converting wastes/by-products into safe, economical, and agriculturally beneficial products. Environmental improvement projects have involved poultry litter, cellulosic wastes, used battery acid, ammonium sulfate fines, lead smelting effluents, deep-welled sulfuric acid/ammonium bisulfate solutions, wood ash, waste magnesium ammonium sulfate slurry from recording tape production, and ammunition plant waste sodium nitrate/ammonium nitrate streams.

  20. Ab-initio Reaction Calculations for Carbon-12 (ESP Technical...

    Office of Scientific and Technical Information (OSTI)

    Ab-initio Reaction Calculations for Carbon-12 (ESP Technical Report): ALCF-2 Early Science Program Technical Report Citation Details In-Document Search Title: Ab-initio Reaction ...

  1. Gallivare PhotoVoltaic AB | Open Energy Information

    Open Energy Info (EERE)

    Gallivare PhotoVoltaic AB Jump to: navigation, search Name: Gallivare PhotoVoltaic AB Place: Gllivare, Sweden Zip: 982 28 Product: Swedish manufacturer of PV modules at its...

  2. A HUMAN RELIABILITY-CENTERED APPROACH TO THE DEVELOPMENT OF JOB AIDS FOR REVIEWERS OF MEDICAL DEVICES THAT USE RADIOLOGICAL BYPRODUCT MATERIALS.

    SciTech Connect (OSTI)

    COOPER, S.E.; BROWN, W.S.; WREATHALL, J.

    2005-02-02

    The U.S. Nuclear Regulatory Commission (NRC) is engaged in an initiative to risk-inform the regulation of byproduct materials. Operating experience indicates that human actions play a dominant role in most of the activities involving byproduct materials, which are radioactive materials other than those used in nuclear power plants or in weapons production, primarily for medical or industrial purposes. The overall risk of these activities is strongly influenced by human performance. Hence, an improved understanding of human error, its causes and contexts, and human reliability analysis (HRA) is important in risk-informing the regulation of these activities. The development of the human performance job aids was undertaken by stages, with frequent interaction with the prospective users. First, potentially risk significant human actions were identified based on reviews of available risk studies for byproduct material applications and of descriptions of events for byproduct materials applications that involved potentially significant human actions. Applications from the medical and the industrial domains were sampled. Next, the specific needs of the expected users of the human performance-related capabilities were determined. To do this, NRC headquarters and region staff were interviewed to identify the types of activities (e.g., license reviews, inspections, event assessments) that need HRA support and the form in which such support might best be offered. Because the range of byproduct uses regulated by NRC is so broad, it was decided that initial development of knowledge and tools would be undertaken in the context of a specific use of byproduct material, which was selected in consultation with NRC staff. Based on needs of NRC staff and the human performance related characteristics of the context chosen, knowledge resources were then compiled to support consideration of human performance issues related to the regulation of byproduct materials. Finally, with

  3. FE-Supported Research Looks to Coal as a Source for Rare Earth Elements

    Office of Energy Efficiency and Renewable Energy (EERE)

    FE, through the National Energy Technology Laboratory (NETL), is looking at ways to use coal and its byproducts (like coal ash from power plants, for instance) to develop new sources of critical rare earth elements, or REEs.

  4. UTILIZATION OF LOW NOx COAL COMBUSTION BY-PRODUCTS

    SciTech Connect (OSTI)

    J.Y. Hwang; X. Huang; M.G. McKimpson; R.E. Tieder; A.M. Hein; J.M. Gillis; D.C. Popko; K.L. Paxton; Z. Li; X. Liu; X. Song; R.I. Kramer

    1998-12-01

    Low NO{sub x} combustion practices are critical for reducing NO{sub x} emissions from power plants. These low NO{sub x} combustion practices, however, generate high residual carbon contents in the fly ash produced. These high carbon contents threaten utilization of this combustion by-product. This research has successfully developed a separation technology to render fly ash into useful, quality-controlled materials. This technology offers great flexibility and has been shown to be applicable to all of the fly ashes tested (more than 10). The separated materials can be utilized in traditional fly ash applications, such as cement and concrete, as well as in nontraditional applications such as plastic fillers, metal matrix composites, refractories, and carbon adsorbents. Technologies to use beneficiated fly ash in these applications are being successfully developed. In the future, we will continue to refine the separation and utilization technologies to expand the utilization of fly ash. The disposal of more than 31 million tons of fly ash per year is an important environmental issue. With continued development, it will be possible to increase economic, energy and environmental benefits by re-directing more of this fly ash into useful materials.

  5. Landslide remediation on Ohio State Route 83 using clean coal combustion by-products

    SciTech Connect (OSTI)

    Payette, R.; Chen, Xi You; Wolfe, W.; Beeghly, J.

    1995-12-31

    The disposal of flue gas desulfurization (FGD) by-products has become a major concern as issues of emission cleansing and landfill costs continue to rise. Laboratory tests conducted at the Ohio State University have shown that dry FGD by-products possess certain engineering properties that have proven desirable in a number of construction uses. As a follow on to the laboratory program, a field investigation into engineering uses of dry FGD wastes was initiated. In the present work, an FGD by-product was used to reconstruct the failed portion of a highway embankment. The construction process and the stability of the repaired embankment are examined.

  6. Power consumption and byproducts in electron beam and electrical discharge processing of volatile organic compounds

    SciTech Connect (OSTI)

    Penetrante, B.M.; Hsiao, M.C.; Bardsley, J.N.

    1996-02-20

    Among the new methods being investigated for the post-process reduction of volatile organic compounds (VOCs) in atmospheric-pressure air streams are based on non-thermal plasmas. Electron beam, pulsed corona and dielectric-barrier discharge methods are among the more extensively investigated techniques for producing non-thermal plasmas. In order to apply non-thermal plasmas in an industrial scale, it is important to establish the electrical power requirements and byproducts of the process. In this paper the authors present experimental results using a compact electron beam reactor, a pulsed corona and a dielectric-barrier discharge reactor. They have used these reactors to study the removal of a wide variety of VOCs. The effects of background gas composition and gas temperature on the decomposition chemistry have been studied. They present a description of the reactions that control the efficiency of the plasma process. They have found that pulsed corona and other types of electrical discharge reactors are most suitable only for processes requiring O radicals. For VOCs requiring copious amounts of electrons, ions, N atoms or OH radicals, the use of electron beam reactors is generally the best way of minimizing the electrical power consumption. Electron beam processing is remarkably more effective for all of the VOCs tested. For control of VOC emissions from dilute, large volume sources such as paint spray booths, cost analysis shows that the electron beam method is cost-competitive to thermal and catalytic methods that employ heat recovery or hybrid techniques.

  7. RESIDUES FROM COAL CONVERSION AND UTILIZATION: ADVANCED MINERALOGICAL CHARACTERIZATION AND DISPOSED BYPRODUCT DIAGENESIS

    SciTech Connect (OSTI)

    Gregory J. McCarthy; Dean G. Grier

    2001-01-01

    (FGD) by-product disposed in the Midwest, and a mixture of Class C fly ash and wet process FGD by-product codisposed in North Dakota, appeared relatively unchanged mineralogically over the up to 5 and 17 years of emplacement, respectively. Each of these two materials contained mineralogies consistent with short-term hydration products of their respective starting (dry) materials. The hydration product ettringite persisted throughout the duration of emplacement at each site, and the diagenetic ash alteration product thaumasite did not form at either site. Explanations for the absence of thaumasite in these two sites include a lack of significant carbonate, sulfate, and alkalinity sources in the case of the North Dakota site, and a lack of sulfate, alkalinity, and sufficient moisture in the Midwest site. Potential for future thaumasite formation in these materials may exist if placed in contact with cold, wet materials containing the missing components listed above. In the presence of the sulfite scrubber mineral hannebachite, the ettringites formed had crystallographic unit cell dimensions smaller than those of pure sulfate ettringite, suggesting either incorporation of sulfite ions into the ettringite structure, or incorporation of silicon and carbonate ions, forming a solid solution towards thaumasite.

  8. Sugar-Based Ethanol Biorefinery: Ethanol, Succinic Acid and By-Product Production

    SciTech Connect (OSTI)

    Donal F. Day

    2009-03-31

    The work conducted in this project is an extension of the developments itemized in DE-FG-36-04GO14236. This program is designed to help the development of a biorefinery based around a raw sugar mill, which in Louisiana is an underutilized asset. Some technical questions were answered regarding the addition of a biomass to ethanol facility to existing sugar mills. The focus of this work is on developing technology to produce ethanol and valuable by-products from bagasse. Three major areas are addressed, feedstock storage, potential by-products and the technology for producing ethanol from dilute ammonia pre-treated bagasse. Sugar mills normally store bagasse in a simple pile. During the off season there is a natural degradation of the bagasse, due to the composting action of microorganisms in the pile. This has serious implications if bagasse must be stored to operate a bagasse/biorefinery for a 300+ day operating cycle. Deterioration of the fermentables in bagasse was found to be 6.5% per month, on pile storage. This indicates that long term storage of adequate amounts of bagasse for year-round operation is probably not feasible. Lignin from pretreatment seemed to offer a potential source of valuable by-products. Although a wide range of phenolic compounds were present in the effluent from dilute ammonia pretreatment, the concentrations of each (except for benzoic acid) were too low to consider for extraction. The cellulosic hydrolysis system was modified to produce commercially recoverable quantities of cellobiose, which has a small but growing market in the food process industries. A spin-off of this led to the production of a specific oligosaccharide which appears to have both medical and commercial implications as a fungal growth inhibitor. An alternate use of sugars produced from biomass hydrolysis would be to produce succinic acid as a chemical feedstock for other conversions. An organism was developed which can do this bioconversion, but the economics of

  9. Management of by-products from fossil-fired power plants

    SciTech Connect (OSTI)

    Kofod, J.

    1998-07-01

    The world production of by-products from power plants is in excess of 500 Mt/year. Most of it consists of coal fly ash and bottom ash, but an increasing share is made up of by-products from flue gas desulfurization processes. In some countries less than 10% of the by-products are utilized, whereas the utilization ratio is as high as 90% in others. In the EU about half of the by-products is utilized, but according to the EU's policy the degree of utilization should be increased. Coal fly ash can be used in concrete pursuant to the provisions of the European standard EN 450, Fly Ash for Concrete. In addition quality fly ash can be used in the production of cement and gas concrete and in the building industry. Road construction and soil amendment can also make use of this material. Gypsum produced as a result of the flue gas desulfurization process can be used as wall boards, in the building industry and in the production of cement. Also other by-products from the flue gas desulfurization processes can be used for industrial purposes. By-products where utilization is no option will be disposed of. According to the EU's environmental legislation most of the by-products from the power plants are categorized as non-hazardous waste. This papers discusses how to design a landfill deposit for power plant residues in accordance with applicable EU-directives. However, as can be seen from the conclusion it will become increasingly difficult in the future to deposit these residues. This will urge power producers to cooperate with relevant industries to ensure utilization of a larger part of the by-products and to create solutions that will be profitable to both parties.

  10. Land application uses for dry flue gas desulfurization by-products: Phase 3

    SciTech Connect (OSTI)

    Dick, W.; Bigham, J.; Forster, R.; Hitzhusen, F.; Lal, R.; Stehouwer, R.; Traina, S.; Wolfe, W.; Haefner, R.; Rowe, G.

    1999-01-31

    New flue gas desulfurization (FGD) scrubbing technologies create a dry, solid by-product material consisting of excess sorbent, reaction product that contains sulfate and sulfite, and coal fly ash. Generally, dry FGD by-products are treated as solid wastes and disposed in landfills. However, landfill sites are becoming scarce and tipping fees are constantly increasing. Provided the environmental impacts are socially and scientifically acceptable, beneficial uses via recycling can provide economic benefits to both the producer and the end user of the FGD. A study titled ''Land Application Uses for Dry Flue Gas Desulfurization By-Products'' was initiated in December, 1990 to develop and demonstrate large volume, beneficial uses of FGD by-products. Phase 1 and Phase 2 reports have been published by the Electric Power Research Institute (EPRI), Palo Alto, CA. Phase 3 objectives were to demonstrate, using field studies, the beneficial uses of FGD by-products (1) as an amendment material on agricultural lands and on abandoned surface coal mine land, (2) as an engineering material for soil stabilization and raid repair, and (3) to assess the environmental and economic impacts of such beneficial uses. Application of dry FGD by-product to three soils in place of agricultural limestone increased alfalfa (Medicago sativa L.) and corn (Zea may L.) yields. No detrimental effects on soil and plant quality were observed.

  11. Long-term stability of disposed cementitious by-products materials

    SciTech Connect (OSTI)

    McCarthy, G.J.; Longlet, J.J.; Parks, J.A.

    1995-12-31

    There is considerable interest in using cementitious coal combustion by-products in waste disposal applications. Among coal combustion residuals, cementitious materials include high-calcium fly ash, dry process flue gas desulfurization by-products, and {open_quotes}clean coal{close_quotes} by-products (various fluidized bed combustion and sorbent injection by-products that utilize lime or limestone for scrubbing SO{sub 2}). Hydration of almost all of these by-products results in ettringite formation. When formed, ettringite structure phases are effective at immobilizing trace elements in oxyanion speciation, particularly selenite, selenate and borate. However, the long-term stability of the matrix is in question. We have studied the stability of the ettringite-based cement matrices in laboratory tests, and through examining cores obtained from disposed materials ranging in age from one to twelve years. Results relating to the effects of carbonation on ettringite in these hydrated by-products, and to the formation of thaumasite in disposed materials will be presented.

  12. Ab initio non-relativistic spin dynamics

    SciTech Connect (OSTI)

    Ding, Feizhi; Goings, Joshua J.; Li, Xiaosong; Frisch, Michael J.

    2014-12-07

    Many magnetic materials do not conform to the (anti-)ferromagnetic paradigm where all electronic spins are aligned to a global magnetization axis. Unfortunately, most electronic structure methods cannot describe such materials with noncollinear electron spin on account of formally requiring spin alignment. To overcome this limitation, it is necessary to generalize electronic structure methods and allow each electron spin to rotate freely. Here, we report the development of an ab initio time-dependent non-relativistic two-component spinor (TDN2C), which is a generalization of the time-dependent Hartree-Fock equations. Propagating the TDN2C equations in the time domain allows for the first-principles description of spin dynamics. A numerical tool based on the Hirshfeld partitioning scheme is developed to analyze the time-dependent spin magnetization. In this work, we also introduce the coupling between electron spin and a homogenous magnetic field into the TDN2C framework to simulate the response of the electronic spin degrees of freedom to an external magnetic field. This is illustrated for several model systems, including the spin-frustrated Li{sub 3} molecule. Exact agreement is found between numerical and analytic results for Larmor precession of hydrogen and lithium atoms. The TDN2C method paves the way for the ab initio description of molecular spin transport and spintronics in the time domain.

  13. Ab initio multireference in-medium similarity renormalization...

    Office of Scientific and Technical Information (OSTI)

    group calculations of even calcium and nickel isotopes Citation Details In-Document Search Title: Ab initio multireference in-medium similarity renormalization group ...

  14. Land application uses for dry FGD by-products, Phase 1 report

    SciTech Connect (OSTI)

    Bigham, J.; Dick, W.; Forster, L.; Hitzhusen, F.; McCoy, E.; Stehouwer, R.; Traina, S.; Wolfe, W.

    1993-04-01

    The 1990 amendments to the Clean Air Act have spurred the development of flue gas desulfurization (FGD) processes, several of which produce a dry, solid by-product material consisting of excess sorbent, reaction products containing sulfates and sulfites, and coal fly ash. FGD by-product materials are treated as solid wastes and must be landfilled. It is highly desirable to find beneficial reuses for these materials provided the environmental impacts are minimal and socially acceptable. Phase 1 results of a 4 and 1/2 year study to demonstrate large volume beneficial uses of FGD by-products are reported. The purpose of the Phase 1 portion of the project was to characterize the chemical, physical, mineralogical and engineering properties of the FGD by-product materials obtained from various FGD technologies being developed in the state of Ohio. Phase 1 also involved the collection of baseline economic data related to the beneficial reuse of these FGD materials. A total of 58 samples were collected and analyzed. The results indicated the chemical composition of the FGD by-product materials were dominated by Ca, S, Al, and Si. Many of the elements regulated by the US Environmental Protection Agency reside primarily in the fly ash. Phase 1 results revealed that FGD by-product materials are essentially coal fly ash materials diluted with unreacted sorbent and reaction products. High volume beneficial reuses will depend on the economics of their substituting for existing materials for various types of applications (e.g. as an agricultural liming material, soil borrow for highway embankment construction, and reclamation of active and abandoned surface coal mines). Environmental constraints to the beneficial reuse of dry FGD by-product materials, based on laboratory and leachate studies, seem to be less than for coal fly ash.

  15. Discovering chemistry with an ab initio nanoreactor

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

    Wang, Lee-Ping; Titov, Alexey; McGibbon, Robert; Liu, Fang; Pande, Vijay S.; Martínez, Todd J.

    2014-11-02

    Chemical understanding is driven by the experimental discovery of new compounds and reactivity, and is supported by theory and computation that provides detailed physical insight. While theoretical and computational studies have generally focused on specific processes or mechanistic hypotheses, recent methodological and computational advances harken the advent of their principal role in discovery. Here we report the development and application of the ab initio nanoreactor – a highly accelerated, first-principles molecular dynamics simulation of chemical reactions that discovers new molecules and mechanisms without preordained reaction coordinates or elementary steps. Using the nanoreactor we show new pathways for glycine synthesis frommore » primitive compounds proposed to exist on the early Earth, providing new insight into the classic Urey-Miller experiment. Ultimately, these results highlight the emergence of theoretical and computational chemistry as a tool for discovery in addition to its traditional role of interpreting experimental findings.« less

  16. Ab Initio Calculation of the Hoyle State

    SciTech Connect (OSTI)

    Epelbaum, Evgeny; Krebs, Hermann; Lee, Dean; Meissner, Ulf-G.

    2011-05-13

    The Hoyle state plays a crucial role in the helium burning of stars heavier than our Sun and in the production of carbon and other elements necessary for life. This excited state of the carbon-12 nucleus was postulated by Hoyle as a necessary ingredient for the fusion of three alpha particles to produce carbon at stellar temperatures. Although the Hoyle state was seen experimentally more than a half century ago nuclear theorists have not yet uncovered the nature of this state from first principles. In this Letter we report the first ab initio calculation of the low-lying states of carbon-12 using supercomputer lattice simulations and a theoretical framework known as effective field theory. In addition to the ground state and excited spin-2 state, we find a resonance at -85(3) MeV with all of the properties of the Hoyle state and in agreement with the experimentally observed energy.

  17. Strontium Isotope Study of Coal Untilization By-products Interacting with Environmental Waters

    SciTech Connect (OSTI)

    Spivak-Birndorf, Lev J; Stewart, Brian W; Capo, Rosemary C; Chapman, Elizabeth C; Schroeder, Karl T; Brubaker, Tonya M

    2011-09-01

    Sequential leaching experiments on coal utilization by-products (CUB) were coupled with chemical and strontium (Sr) isotopic analyses to better understand the influence of coal type and combustion processes on CUB properties and the release of elements during interaction with environmental waters during disposal. Class C fly ash tended to release the highest quantity of minor and trace elementsincluding alkaline earth elements, sodium, chromium, copper, manganese, lead, titanium, and zincduring sequential extraction, with bottom ash yielding the lowest. Strontium isotope ratios ({sup 87}Sr/{sup 86}Sr) in bulk-CUB samples (total dissolution of CUB) are generally higher in class F ash than in class C ash. Bulk-CUB ratios appear to be controlled by the geologic source of the mineral matter in the feed coal, and by Sr added during desulfurization treatments. Leachates of the CUB generally have Sr isotope ratios that are different than the bulk value, demonstrating that Sr was not isotopically homogenized during combustion. Variations in the Sr isotopic composition of CUB leachates were correlated with mobility of several major and trace elements; the data suggest that arsenic and lead are held in phases that contain the more radiogenic (high-{sup 87}Sr/{sup 86}Sr) component. A changing Sr isotope ratio of CUB-interacting waters in a disposal environment could forecast the release of certain strongly bound elements of environmental concern. This study lays the groundwork for the application of Sr isotopes as an environmental tracer for CUBwater interaction.

  18. Advanced SO/sub 2/ control by-product utilization laboratory evaluation: Final report

    SciTech Connect (OSTI)

    Not Available

    1988-09-01

    This report presents the results of an investigation into the utilization potential of by-products from the following advanced SO/sub 2/ control processes: Atmospheric Fluidized Bed Combustion; Calcium Spray Drying; Limestone Furnace Injection; Sodium Sorbent Injection; and Calcium Sorbent Injection. Utilization applications identified as potentially feasible (from both technical and market perspectives) in the preliminary investigation (EPRI CS-5269) were evaluated through small-scale laboratory testing. The applications considered were primarily low to medium technology process and medium to high volume use applications. The laboratory test results were evaluated in concert with by-product physical, chemical and extract characteristics (developed during EPRI Research Project 2708-1) and a market assessment. Then, an economic evaluation was performed for each utilization application based upon a typical or hypothetical by-product marketing situation in which an advanced SO/sub 2/ control by-product could be substituted for a competing material on a local project or in a local product. Finally, based on the major factors considered in this project (laboratory characterization, technical feasibility evaluation, and economic and market assessments), the utilization potential for each application considered was rated as high, medium or low, and future research needs were identified. The following utilization applications were found to have a high potential for the majority of the calcium-based advanced SO/sub 2/ control by-products: road base, soil and sludge stabilization and grout applications. 76 refs., 18 figs., 70 tabs.

  19. Technical support for the Ohio Coal Technology Program. Volume 1, Baseline of knowledge concerning by-product characteristics: Final report

    SciTech Connect (OSTI)

    Olfenbuttel, R.; Clark, S.; Helper, E.; Hinchee, R.; Kuntz, C.; Means, J.; Oxley, J.; Paisley, M.; Rogers, C.; Sheppard, W.; Smolak, L.

    1989-08-28

    This report was prepared for the Ohio Coal Development Office (OCDO) under Grant Agreement No. CDO/R-88-LRl and comprises two volumes. Volume I presents data on the chemical, physical, and leaching characteristics of by-products from a wide variety of clean coal combustion processes. Volume II consists of a discussion of (a) process modification waste minimization opportunities and stabilization considerations; (b) research and development needs and issues relating to clean coal combustion technologies and by-products; (c) the market potential for reusing or recycling by-product materials; and (d) regulatory considerations relating to by-product disposal or reuse.

  20. IGCC and PFBC By-Products: Generation, Characteristics, and Management Practices

    SciTech Connect (OSTI)

    Pflughoeft-Hassett, D.F.

    1997-09-01

    The following report is a compilation of data on by-products/wastes from clean coal technologies, specifically integrated gasification combined cycle (IGCC) and pressurized fluidized-bed combustion (PFBC). DOE had two objectives in providing this information to EPA: (1) to familiarize EPA with the DOE CCT program, CCT by-products, and the associated efforts by DOE contractors in the area of CCT by-product management and (2) to provide information that will facilitate EPA's effort by complementing similar reports from industry groups, including CIBO (Council of Industrial Boiler Owners) and EEI USWAG (Edison Electric Institute Utility Solid Waste Activities Group). The EERC cooperated and coordinated with DOE CCT contractors and industry groups to provide the most accurate and complete data on IGCC and PFBC by-products, although these technologies are only now being demonstrated on the commercial scale through the DOE CCT program.

  1. Formation of carbon black as a byproduct of pyrolysis of light hydrocarbons in plasma jet

    SciTech Connect (OSTI)

    Chen, H.G.; Zhang, X.B.; Li, F.; Xie, K.C.; Dai, B.; Fan, Y.S.

    1997-12-31

    The light hydrocarbons undergo a complex reaction of flash hydropyrolysis in a DC arc H{sub 2}/Ar plasma jet at atmospheric pressure and average temperatures between 1,500 K and 4,000 K. The raw material was LPG. Acetylene is the major product. Carbon black is a byproduct. Carbon black is characterized with XRD, TEM, and adsorption-and-desorption of liquid nitrogen, respectively. The present work proposes to use the plasma process to replace the classical thermal process in order to produce acetylene directly from LPG with carbon black being a byproduct.

  2. ABS_PDv14.0 beta

    Energy Science and Technology Software Center (OSTI)

    2008-07-30

    ABS_PD stands for Adaptive Background Suppression and Peak Detection algorithm. This algorithm uses an iterative process to simultaneously estimate the background and identify peaks in signals where the bakground is slowly varying relative to the peaks to be detected. This is sone on an automated manner. The algorithm can be applied to many physical processes where the desired signal is superimposed on a background. The main advantage of this algorithm is that the background canmore » be variable and doesn't have to be known. All that is required is that a set of basis function,s capa ble of representing the background, needs to be defined. Depending on the signals to be processed, the basis functions can be as simple as low order polynomials. The current algorithm has polynomials built-in and allows for additional basis functions to be defined by the user. An additional advantage is that the algorithm does not use any derivatives in detection of peaks and thus allows for analysis of noisy data. The noise level in the data is automatically taken into account when setting thresholds for peak detection.« less

  3. Compact ion source neutron generator

    DOE Patents [OSTI]

    Schenkel, Thomas; Persaud, Arun; Kapadia, Rehan; Javey, Ali; Chang-Hasnain, Constance; Rangelow, Ivo; Kwan, Joe

    2015-10-13

    A neutron generator includes a conductive substrate comprising a plurality of conductive nanostructures with free-standing tips and a source of an atomic species to introduce the atomic species in proximity to the free-standing tips. A target placed apart from the substrate is voltage biased relative to the substrate to ionize and accelerate the ionized atomic species toward the target. The target includes an element capable of a nuclear fusion reaction with the ionized atomic species to produce a one or more neutrons as a reaction by-product.

  4. Electric Dipole Transitions Within The Ab initio No-Core Shell...

    Office of Scientific and Technical Information (OSTI)

    Electric Dipole Transitions Within The Ab initio No-Core Shell Model With Continuum Citation Details In-Document Search Title: Electric Dipole Transitions Within The Ab initio...

  5. Ab-initio Reaction Calculations for Carbon-12 (ESP Technical...

    Office of Scientific and Technical Information (OSTI)

    for Carbon-12 (ESP Technical Report): ALCF-2 Early Science Program Technical Report Citation Details In-Document Search Title: Ab-initio Reaction Calculations for Carbon-12 (ESP ...

  6. Spectroscopic signatures of AA' and AB stacking of chemical vapor...

    Office of Scientific and Technical Information (OSTI)

    Also, resonance Raman and photoluminescence spectra of AA' and AB stacked bilayer MoS2 were obtained on Au nanopyramid surfaces under strong plasmon resonance. Both resonance Raman ...

  7. AB INITIO PHASE STABILITY AT HIGH TEMPERATURES AND PRESSURES...

    Office of Scientific and Technical Information (OSTI)

    AND PRESSURES IN THE V-Cr SYSTEM Citation Details In-Document Search Title: AB INITIO PHASE STABILITY AT HIGH TEMPERATURES AND PRESSURES IN THE V-Cr SYSTEM You are ...

  8. Infrared and Raman Spectroscopy from Ab Initio Molecular Dynamics...

    Office of Scientific and Technical Information (OSTI)

    Infrared and Raman Spectroscopy from Ab Initio Molecular Dynamics and Static Normal Mode Analysis: The C-H Region of DMSO as a Case Study Citation Details In-Document Search Title: ...

  9. An Ab Initio Approach Towards Engineering Fischer-Tropsch Surface Chemistry

    SciTech Connect (OSTI)

    Matthew Neurock; David A. Walthall

    2006-05-07

    One of the greatest societal challenges over the next decade is the production of cheap, renewable energy for the 10 billion people that inhabit the earth. This will require the development of various different energy sources potentially including fuels derived from methane, coal, and biomass and alternatives sources such as solar, wind and nuclear energy. One approach will be to synthesize gasoline and other fuels from simpler hydrocarbons such as CO derived from methane or other U.S. based sources such as coal. Syngas (CO and H{sub 2}) can be readily converted into higher molecular weight hydrocarbons through Fischer-Tropsch synthesis. Fischer-Tropsch synthesis involves the initiation or activation of CO and H{sub 2} bonds, the subsequent propagation steps including hydrogenation and carbon-carbon coupling, followed by chain termination reactions. Commercially viable catalysts include supported Co and Co-alloys. Over the first two years of this project we have used ab initio methods to determine the adsorption energies for all reactants, intermediates, and products along with the overall reaction energies and their corresponding activation barriers over the Co(0001) surface. Over the third year of the project we developed and advanced an ab initio-based kinetic Monte Carlo simulation code to simulate Fischer Tropsch synthesis. This report details our work over the last year which has focused on the derivation of kinetic parameters for the elementary steps involved in FT synthesis from ab initio density functional theoretical calculations and the application of the kinetic Monte Carlo algorithm to simulate the initial rates of reaction for FT over the ideal Co(0001) surface. The results from our simulations over Co(0001) indicate the importance of stepped surfaces for the activation of adsorbed CO. In addition, they demonstrate that the dominant CH{sub x}* surface intermediate under steady state conditions is CH*. This strongly suggests that hydrocarbon coupling

  10. EXPLORING INTERMEDIATE (5-40 AU) SCALES AROUND AB AURIGAE WITH THE PALOMAR FIBER NULLER

    SciTech Connect (OSTI)

    Kühn, J.; Mennesson, B.; Liewer, K.; Martin, S.; Loya, F.; Serabyn, E.; Millan-gabet, R.

    2015-02-10

    We report on recent K{sub s} -band interferometric observations of the young pre-main-sequence star AB Aurigae obtained with the Palomar Fiber Nuller (PFN). Reaching a contrast of a few 10{sup –4} inside a field of view extending from 35 to 275 mas (5-40 AU at AB Aur's distance), the PFN is able to explore angular scales that are intermediate between those accessed by coronagraphic imaging and long baseline interferometry. This intermediate region is of special interest given that many young stellar objects are believed to harbor extended halos at such angular scales. Using destructive interference (nulling) between two sub-apertures of the Palomar 200 inch telescope and rotating the telescope pupil, we measured a resolved circumstellar excess at all probed azimuth angles. The astrophysical null measured over the full rotation is fairly constant, with a mean value of 1.52%, and a slight additional azimuthal modulation of ±0.2%. The isotropic astrophysical null is indicative of circumstellar emission dominated by an azimuthally extended source, possibly a halo, or one or more rings of dust, accounting for several percent of the total K{sub s}-band flux. The modest azimuthal variation may be explained by some skewness or anisotropy of the spatially extended source, e.g., an elliptical or spiral geometry, or clumping, but it could also be due to the presence of a point source located at a separation of ∼120 mas (17 AU) with ∼6 × 10{sup –3} of the stellar flux. We combine our results with previous Infrared Optical Telescope Array observations of AB Aur at H band, and demonstrate that a dust ring located at ∼30 mas (4.3 AU) represents the best-fitting model to explain both sets of visibilities. We are also able to test a few previously hypothesized models of the incoherent component evident at longer interferometric baselines.

  11. Large-scale ab initio configuration interaction calculations for light

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

    nuclei | Argonne Leadership Computing Facility Large-scale ab initio configuration interaction calculations for light nuclei Authors: Pieter Maris, H Metin Aktulga, Mark A Caprio, Ümit V Çatalyürek, Esmond G Ng, Dossay Oryspayev, Hugh Potter, Erik Saule, Masha Sosonkina, James P Vary, Chao Yang Zheng Zhou In ab-initio Configuration Interaction calculations, the nuclear wavefunction is expanded in Slater determinants of single-nucleon wavefunctions and the many-body Schrodinger equation

  12. Leveraging GPUs in Ab Initio Nuclear Physics Calculations | Argonne

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

    Leadership Computing Facility Leveraging GPUs in Ab Initio Nuclear Physics Calculations Authors: Dossay Oryspayev, Hugh Potter, Pieter Maris, Masha Sosonkina, James P. Vary, Sven Binder, Angelo Calci, Joachim Langhamme, Robert Roth This paper describes initial steps to leverage accelerators, such as GPUs, in ab initio nuclear physics calculations. Specifically, parallel nuclear structure calculations performed by the MFDn package are considered with selected stages adapted for GPUs. This

  13. Entropy of Liquid Water from Ab Initio Molecular Dynamics | Argonne

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

    Leadership Computing Facility Entropy of Liquid Water from Ab Initio Molecular Dynamics Authors: Zhang, C., Spanu,L., Galli, G. We have computed the entropy of liquid water using a two-phase thermodynamic model and trajectories generated by ab initio molecular dynamics simulations. We present the results obtained with semilocal, hybrid, and van der Waals density functionals. We show that in all cases, at the experimental equilibrium density and at temperatures in the vicinity of 300 K, the

  14. Use of clean coal technology by-products as agricultural liming techniques

    SciTech Connect (OSTI)

    Stehouwer, R.C.; Sutton, P.; Dick, W.A.

    1995-03-01

    Dry flue gas desulfurization (FGD) by-products are mixtures of coal fly-ash, anhydrite (CaCO{sub 4}), and unspent lime- or limestone-based sorbent. Dry FGD by-products frequently have neutralizing values greater than 50% CaCO{sub 3} equivalency and thus have potential for neutralizing acidic soils. Owing to the presence of soluble salts and various trace elements, however, soil application of dry FGD by-products may have adverse effects on plant growth and soil quality. The use of a dry FGD by-product as a limestone substitute was investigated in a field study on three acidic agricultural soils (pH 4.6, 4.8, and 5.8) in eastern Ohio. The by-product (60% CaCO{sub 3} equivalency) was applied in September, 1992, at rates of 0, 0.5, 1.0, and 2.0 times the lime requirement of the soils, and alfalfa (Medicago sativa L.) and corn (Zea mays L.) were planted. Soils were sampled immediately after FGD application and three more times every six months thereafter. Samples were analyzed for pH and water soluble concentrations of 28 elements. Soil pH was increased by all FGD rates in the zone of incorporation (0--10 cm), with the highest rates giving a pH slightly above 7. Within one year pH increases could be detected at depths up to 30 cm. Calcium, Mg, and S increased, and Al, Mn, and Fe decreased with increasing dry FGD application rates. No trace element concentrations were changed by dry FGD application except B which was increased in the zone of incorporation. Dry FGD increased alfalfa yield on all three soils, and had no effect on corn yield. No detrimental effects on soil quality were observed.

  15. CHARACTERIZATION OF COAL COMBUSTION BY-PRODUCTS FOR THE RE-EVOLUTION OF MERCURY INTO ECOSYSTEMS

    SciTech Connect (OSTI)

    A.M. Schwalb; J.A. Withum

    2003-07-01

    There is some concern that mercury (Hg) in coal combustion by-products can be emitted into the environment during processing to other products, by volatilization or by dissolution into groundwater. This perception may limit the opportunities to use coal combustion by-products after disposal in recycle/reuse applications. In this program, CONSOL Energy Inc., Research & Development (CONSOL) is conducting a comprehensive sampling and analytical program to address this concern. The objective is to evaluate the potential for Hg emissions by leaching or volatilization, and to provide data that will allow a scientific assessment of the issue. The main activities for this quarter were: the re-volatilization study was continued; the literature review was updated; and the ground water study was continued.

  16. An Ab Initio Approach Towards Engineering Fischer-Tropsch Surface Chemistry

    SciTech Connect (OSTI)

    Matthew Neurock

    2005-06-13

    As petroleum prices continue to rise and the United States seeks to reduce its dependency on foreign oil, there is a renewed interest in the research and development of more efficient and alternative energy sources, such as fuel cells. One approach is to utilize processes that can produce long-chain hydrocarbons from other sources. One such reaction is Fischer-Tropsch synthesis. Fischer-Tropsch synthesis is a process by which syngas (CO and H{sub 2}) is converted to higher molecular weight hydrocarbons. The reaction involves a complex set of bond-breaking and bond-making reactions, such as CO and H{sub 2} activation, hydrocarbon hydrogenation reactions, and hydrocarbon coupling reactions. This report details our initial construction of an ab initio based kinetic Monte Carlo code that can be used to begin to simulate Fischer-Tropsch synthesis over model Co(0001) surfaces. The code is based on a stochastic kinetic formalism that allows us to explicitly track the transformation of all reactants, intermediates and products. The intrinsic kinetics for the simulations were derived from the ab initio results that we reported in previous year summaries.

  17. Solar Grade Silicon from Agricultural By-products

    SciTech Connect (OSTI)

    Richard M. Laine

    2012-08-20

    In this project, Mayaterials developed a low cost, low energy and low temperature method of purifying rice hull ash to high purity (5-6Ns) and converting it by carbothermal reduction to solar grade quality silicon (Sipv) using a self-designed and built electric arc furnace (EAF). Outside evaluation of our process by an independent engineering firm confirms that our technology greatly lowers estimated operating expenses (OPEX) to $5/kg and capital expenses (CAPEX) to $24/kg for Sipv production, which is well below best-in-class plants using a Siemens process approach (OPEX of 14/kg and CAPEX of $87/kg, respectively). The primary limiting factor in the widespread use of photovoltaic (PV) cells is the high cost of manufacturing, compared to more traditional sources to reach 6 g Sipv/watt (with averages closer to 8+g/watt). In 2008, the spot price of Sipv rose to $450/kg. While prices have since dropped to a more reasonable $25/kg; this low price level is not sustainable, meaning the longer-term price will likely return to $35/kg. The 6-8 g Si/watt implies that the Sipv used in a module will cost $0.21-0.28/watt for the best producers (45% of the cost of a traditional solar panel), a major improvement from the cost/wafer driven by the $50/kg Si costs of early 2011, but still a major hindrance in fulfilling DOE goal of lowering the cost of solar energy below $1/watt. The solar cell industry has grown by 40% yearly for the past eight years, increasing the demand for Sipv. As such, future solar silicon price spikes are expected in the next few years. Although industry has invested billions of dollars to meet this ever-increasing demand, the technology to produce Sipv remains largely unchanged requiring the energy intensive, and chlorine dependent Siemens process or variations thereof. While huge improvements have been made, current state-of-the-art industrial plant still use 65 kWh/kg of silicon purified. Our technology offers a key distinction to other technologies as it

  18. Department of Energy plan for recovery and utilization of nuclear byproducts from defense wastes. Volume 2

    SciTech Connect (OSTI)

    Not Available

    1983-08-01

    Nuclear wastes from the defense production cycle contain many uniquely useful, intrinsically valuable, and strategically important materials. These materials have a wide range of known and potential applications in food technology, agriculture, energy, public health, medicine, industrial technology, and national security. Furthermore, their removal from the nuclear waste stream can facilitate waste management and yield economic, safety, and environmental advantages in the management and disposal of the residual nuclear wastes that have no redemptive value. This document is the program plan for implementing the recovery and beneficial use of these valuable materials. An Executive Summary of this document, DOE/DP-0013, Vol. 1, January 1983, is available. Program policy, goals and strategy are stated in Section 2. Implementation tasks, schedule and funding are detailed in Section 3. The remaining five sections and the appendixes provide necessary background information to support these two sections. Section 4 reviews some of the unique properties of the individual byproduct materials and describes both demonstrated and potential applications. The amounts of byproduct materials that are available now for research and demonstration purposes, and the amounts that could be recovered in the future for expanded applications are detailed in Section 5. Section 6 describes the effects byproduct recovery and utilization have on the management and final disposal of nuclear wastes. The institutional issues that affect the recovery, processing and utilization of nuclear byproducts are discussed in Section 7. Finally, Section 8 presents a generalized mathematical process by which applications can be evaluated and prioritized (rank-ordered) to provide planning data for program management.

  19. Management of dry flue gas desulfurization by-products in underground mines

    SciTech Connect (OSTI)

    Sevim, H.

    1997-06-01

    Disposal of coal combustion by-products (CCBs) in an environmentally sound manner is a major issue facing the coal and utility industries in the US today. Disposal into abandoned sections of underground coal mines may overcome many of the surface disposal problems along with added benefits such as mitigation of subsidence and acid mine drainage. However, many of the abandoned underground coal mines are located far from power plants, requiring long distance hauling of by-products which will significantly contribute to the cost of disposal. For underground disposal to be economically competitive, the transportation and handling cost must be minimized. This requires careful selection of the system and optimal design for efficient operation. The materials handling and system economics research addresses these issues. Transportation and handling technologies for CCBs were investigated from technical, environmental and economic points of view. Five technologies were found promising: (1) Pneumatic Trucks, (2) Pressure Differential Rail Cars, (3) Collapsible Intermodal Containers, (4) Cylindrical Intermodal Tanks, and (5) Coal Hopper Cars with Automatic Retractable Tarping. The first two technologies are currently being utilized in transporting by-products from power plants to disposal sites, whereas the next three are either in development or in conceptualization phases. In this research project, engineering design and cost models were developed for the first four technologies. The engineering design models are in the form of spreadsheets and serve the purpose of determining efficient operating schedules and sizing of system components.

  20. CHARACTERIZATION OF COAL COMBUSTION BY-PRODUCTS FOR THE RE-EVOLUTION OF MERCURY INTO ECOSYSTEMS

    SciTech Connect (OSTI)

    J.A. Withum; R.M. Statnick

    2001-09-01

    EPA and state environmental agencies are suggesting that mercury (Hg) in coal combustion by-products is re-emitted into local ecosystems by additional processing to final products (i.e., wallboard, etc.), by dissolution into groundwater, or by reactions with anaerobic bacteria. This perception may limit the opportunities to use coal combustion by-products in recycle/reuse applications. In this program, CONSOL Energy is conducting a comprehensive sampling and analytical program to address this concern. If the results of this work demonstrate that re-emissions of Hg from waste disposal and by-product utilization are over-stated, additional regulations regarding coal combustion, waste disposal, and waste material utilization will not be required. This will result in continued low energy cost that is beneficial to the national economy and stability of local economies that are dependent on coal. In this quarter, laboratory equipment was assembled and blank test runs were made, manufactured aggregate and spray dryer ash samples were collected and leached, and fly ash and FGD slurry samples from an Ohio bituminous coal-fired utility were collected for leaching.

  1. Hydrogen Funding and the AB 118 Investment Plan

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

    M I S S I O N Hydrogen Funding and the AB 118 Investment Plan Delivering Renewable Hydrogen A Focus on Near-term Applications Workshop Peter F. Ward California Energy Commission November 16, 2009 Palm Springs, California C A L I F O R N I A E N E R G Y C O M M I S S I O N AB 118 Key Provisions * Provides CARB Funding For Two Programs ($80 Million/Yr for 7 ½ Years) - Enhanced Fleet Modernization - Air Quality Improvement Program * Provides CEC Funding For Alternative and Renewable Fuel and

  2. Land application uses of dry FGD by-products. [Quarterly report, January 1, 1994--March 31, 1994

    SciTech Connect (OSTI)

    Dick, W.A.; Beeghly, J.H.

    1994-08-01

    This report contains three separate monthly reports on the progress to use flue gas desulfurization by-products for the land reclamation of an abandoned mine site in Ohio. Data are included on the chemical composition of the residues, the cost of the project, as well as scheduling difficulties and efforts to allay the fears of public officials as to the safety of the project. The use of by-products to repair a landslide on State Route 541 is briefly discussed.

  3. DOE Selects Projects To Enhance Its Research into Recovery of Rare Earth Elements from Coal and Coal Byproducts

    Office of Energy Efficiency and Renewable Energy (EERE)

    The U.S. Department of Energy’s (DOE) National Energy Technology Laboratory (NETL) has selected 10 projects to receive funding for research in support of the lab’s program on Recovery of Rare Earth Elements from Coal and Coal Byproducts. The selected research projects will further program goals by focusing on the development of cost-effective and environmentally benign approaches for the recovery of rare earth elements (REEs) from domestic coal and coal byproducts.

  4. Towards SiC Surface Functionalization: An Ab Initio Study

    SciTech Connect (OSTI)

    Cicero, G; Catellani, A

    2005-01-28

    We present a microscopic model of the interaction and adsorption mechanism of simple organic molecules on SiC surfaces as obtained from ab initio molecular dynamics simulations. Our results open the way to functionalization of silicon carbide, a leading candidate material for bio-compatible devices.

  5. Landslide remediation on Ohio State Route 83 using clean coal combustion by-products

    SciTech Connect (OSTI)

    Payette, R.; Chen, X.Y.; Wolfe, W.; Beeghly, J.

    1995-12-31

    In the present work, a flue gas desulfurization (FGD) by-product was used to reconstruct the failed portion of a highway embankment. The construction process and the stability of the repaired embankment are examined. State Route 83 in Cumberland, Ohio has been damaged by a slow moving slide which has forced the Ohio Department of Transportation to repair the roadway several times. In the most recent repair FGD by-products obtained from American Electric Power`s Tidd PFBC plant were used to construct a wall through the failure plane to prevent further slippage. In order to evaluate the utility of using coal combustion by-products in this type of highway project the site was divided into three test sections. In the first repair section, natural soil removed form the slide area was recompacted and replaced according to standard ODOT construction practices. In the second section the natural soil was field mixed with the Tidd PFBC ash in approximately equal proportions. The third section was all Tidd ash. The three test sections were capped by a layer of compacted Tidd ash or crushed stone to provide a wearing surface to allow ODOT to open the roadway before applying a permanent asphalt surface. Measurement of slope movement as well as water levels and quality have begun at the site in order to evaluate long term project performance. The completion of this project should lead to increased acceptance of FGD materials in construction projects. Monetary savings will be realized in avoiding some of the disposal costs for the waste, as well as in the reduced reliance on alternative engineering materials.

  6. TREATMENT OF METAL-LADEN HAZARDOUS WASTES WITH ADVANCED CLEAN COAL TECHNOLOGY BY-PRODUCTS

    SciTech Connect (OSTI)

    James T. Cobb, Jr.; Ronald D. Neufeld; Jana Agostini

    1999-01-01

    This seventeenth quarterly report describes work done during the seventeenth three-month period of the University of Pittsburgh's project on the ''Treatment of Metal-Laden Hazardous Wastes with Advanced Clean Coal Technology By-Products.'' This report describes the activities of the project team during the reporting period. The principal work has focused upon new laboratory evaluation of samples from Phase 1, discussions with MAX Environmental Technologies, Inc., on the field work of Phase 2, giving a presentation, submitting a manuscript and making and responding to one outside contact.

  7. TREATMENT OF METAL-LADEN HAZARDOUS WASTES WITH ADVANCED CLEAN COAL TECHNOLOGY BY-PRODUCTS

    SciTech Connect (OSTI)

    James T. Cobb, Jr.; Ronald D. Neufeld; Jana Agostini

    1999-06-01

    This sixteenth quarterly report describes work done during the sixteenth three-month period of the University of Pittsburgh's project on the ''Treatment of Metal-Laden Hazardous Wastes with Advanced Clean Coal Technology By-Products.'' This report describes the activities of the project team during the reporting period. The principal work has focused upon new laboratory evaluation of samples from Phase 1, discussions with MAX Environmental Technologies, Inc., on the field work of Phase 2, giving a presentation, and making and responding to several outside contacts.

  8. Fluosorbent injection by-products. Final report, January 1997 through December 1999

    SciTech Connect (OSTI)

    Nelson, Sid

    2000-02-29

    Few, if any, economical alternatives exist for small coal-fired boilers that require a flue-gas desulfurization (FGD) system which does not generate wastes. A new duct-injection technology, called "Fluesorbent," was developed to help fill this gap. Fluesorbent was intentionally designed so that the saturated S02-sorbent materials can be used as beneficial soil amendments after they were used for FGD. A. Project Objective: The objective of this project was to demonstrate in the field that saturated Fluesorbent materials can be utilized beneficially on agricultural and grass lands. B. Project Results: The results of this project suggest that, indeed, saturated Fluesorbent has excellent potential as a commercial soil amendment for crops, such as alfalfa and soybeans, and for turf. Yields of alfalfa and turf were substantially increased in field testing on acidic soils by one-time applications of Fluesorbent FGD by-products. In the first two years of field testing, alfalfa yields on field plots with the FGD by-products were approximately 40% greater than on plots treated with an equivalent amount of agricultural lime. In a third, drought-influenced year, the gains were smaller. Turf grass growth was fully twice that of untreated plots and more than 10% greater than with ag-lime. A small farm trial with a modified version of the Fluesorbent by-product increased soybean yield by 25%. A small trial with corn, however, indicated no significant improvement. Even though the Fluesorbent contained fly ash, the alfalfa and turf grown in FGD-treated plots contained significantly lower levels of heavy metals than that grown in untreated or lime-treated plots. In a project greenhouse experiment, the fly ashes from five different coal boilers from around Ohio produced equivalent yields when mixed with Fluesorbent, indicating wide potential applicability of the new technology. The Fluesorbent materials were also found to be easy to extrude into pellets for use with mixed fertilizers

  9. Coke oven gas treatment and by-product plant of Magnitogorsk Integrated Iron and Steel Works

    SciTech Connect (OSTI)

    Egorov, V.N.; Anikin, G.J.; Gross, M.

    1995-12-01

    Magnitogorsk Integrated Iron and Steel Works, Russia, decided to erect a new coke oven gas treatment and by-product plant to replace the existing obsolete units and to improve the environmental conditions of the area. The paper deals with the technological concept and the design requirements. Commissioning is scheduled at the beginning of 1996. The paper describes H{sub 2}S and NH{sub 3} removal, sulfur recovery and ammonia destruction, primary gas cooling and electrostatic tar precipitation, and the distributed control system that will be installed.

  10. Electric Dipole Transitions Within The Ab initio No-Core Shell...

    Office of Scientific and Technical Information (OSTI)

    Within The Ab initio No-Core Shell Model With Continuum Citation Details In-Document Search Title: Electric Dipole Transitions Within The Ab initio No-Core Shell Model With ...

  11. Management of dry flue gas desulfurization by-products in underground mines. Quarterly report, August 1--October 31, 1997

    SciTech Connect (OSTI)

    Chugh, Y.P.

    1997-12-31

    The objective of this project was to develop and demonstrate two technologies for the placement of coal combustion by-products in abandoned underground coal mines, and to assess the environmental impact of these technologies for the management of CCB materials. The two technologies for the underground placement that were to be developed and demonstrated are: (1) pneumatic placement using virtually dry CCB products, and (2) hydraulic placement using a paste mixture of CCB products with about 70% solids. The period covered by this report is the second quarter of Phase 3 of the overall program. During this period over 8,000 tons of CCB mixtures was injected using the hydraulic paste technology. This amount of material virtually filled the underground opening around the injection well, and was deemed sufficient to demonstrate fully the hydraulic injection technology. By the end of this quarter about 2,000 tons of fly ash had been placed underground using the pneumatic placement technology. While the rate of injection of about 50 tons per hour met design criteria, problems were experienced in the delivery of fly ash to the pneumatic demonstration site. The source of the fly ash, the Archer Daniels Midland Company power plant at Decatur, Illinois is some distance from the demonstration site, and often sufficient tanker trucks are not available to haul enough fly ash to fully load the injection equipment. Further, on some occasions fly ash from the plant was not available. The injection well was plugged three times during the demonstration. This typically occurred due to cementation of the FBC ash in contact with water. After considerable deliberations and in consultation with the technical project officer, it was decided to stop further injection of CCB`s underground using the developed pneumatic technology.

  12. Gas treatment and by-products recovery of Thailand`s first coke plant

    SciTech Connect (OSTI)

    Diemer, P.E.; Seyfferth, W.

    1997-12-31

    Coke is needed in the blast furnace as the main fuel and chemical reactant and the main product of a coke plant. The second main product of the coke plant is coke oven gas. During treatment of the coke oven gas some coal chemicals like tar, ammonia, sulphur and benzole can be recovered as by-products. Since the market prices for these by-products are rather low and often erratic it does not in most cases justify the investment to recover these products. This is the reason why modern gas treatment plants only remove those impurities from the crude gas which must be removed for technical and environmental reasons. The cleaned gas, however, is a very valuable product as it replaces natural gas in steel work furnaces and can be used by other consumers. The surplus can be combusted in the boiler of a power plant. A good example for an optimal plant layout is the new coke oven facility of Thai Special Steel Industry (TSSI) in Rayong. The paper describes the TSSI`s coke oven gas treatment plant.

  13. Ab initio calculations of light-ion fusion reactions

    SciTech Connect (OSTI)

    Hupin, G.; Quaglioni, S.; Navratil, P.

    2012-10-20

    The exact treatment of nuclei starting from the constituent nucleons and the fundamental interactions among them has been a long-standing goal in nuclear physics. Above all nuclear scattering and reactions, which require the solution of the many-body quantum-mechanical problem in the continuum, represent an extraordinary theoretical as well as computational challenge for ab initio approaches. The ab initio No-Core Shell Model/Resonating-Group Method (NCSM/RGM) complements a microscopic cluster technique with the use of realistic interactions, and a microscopic and consistent description of the nucleon clusters. This approach is capable of describing simultaneously both bound and scattering states in light nuclei. Recent applications to light nuclei scattering and fusion reactions relevant to energy production in stars and Earth based fusion facilities, such as the deuterium-{sup 3}He fusion, are presented. Progress toward the inclusion of the three nucleon force into the formalism is outlined.

  14. Testing the density matrix expansion against ab initio calculations of

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

    trapped neutron drops | Argonne Leadership Computing Facility Testing the density matrix expansion against ab initio calculations of trapped neutron drops Authors: Bogner, S., Furnstahl, R.J., Hergert, H., Kortelainen, M., Maris, P., Stoitsov, M., Vary, J.P. Microscopic input to a universal nuclear energy density functional can be provided through the density matrix expansion (DME), which has recently been revived and improved. Several DME implementation strategies are tested for neutron

  15. Prediction of bulk properties using high accuracy ab initio methods

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

    interfaced with dynamical calculations | Argonne Leadership Computing Facility George Schoendorff, Iowa State University 1,024 water molecules in a lattice configuration Credits: George Schoendorff, Iowa State University Prediction of bulk properties using high accuracy ab initio methods interfaced with dynamical calculations PI Name: Theresa Windus PI Email: theresa@fi.ameslab.gov Institution: Iowa State University Allocation Program: INCITE Allocation Hours at ALCF: 8 Million Year: 2010

  16. Prediction of bulk properties using high accuracy ab initio methods

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

    interfaced with dynamical calculations | Argonne Leadership Computing Facility Prediction of bulk properties using high accuracy ab initio methods interfaced with dynamical calculations PI Name: Theresa Windus PI Email: theresa@fi.ameslab.gov Institution: Iowa State University Allocation Program: INCITE Allocation Hours at ALCF: 10,000,000 Year: 2011 Research Domain: Chemistry Unprecedented accuracy will be used to gain insight into properties of large systems. This research has broad

  17. CHARACTERIZATION OF COAL COMBUSTION BY-PRODUCTS FOR THE RE-EVOLUTION OF MERCURY INTO ECOSYSTEMS

    SciTech Connect (OSTI)

    J.A. Withum; J.E. Locke; S.C. Tseng

    2005-03-01

    There is concern that mercury (Hg) in coal combustion by-products might be emitted into the environment during processing to other products or after the disposal/landfill of these by-products. This perception may limit the opportunities to use coal combustion by-products in recycle/reuse applications and may result in additional, costly disposal regulations. In this program, CONSOL conducted a comprehensive sampling and analytical program to include ash, flue gas desulfurization (FGD) sludge, and coal combustion by-products. This work is necessary to help identify potential problems and solutions important to energy production from fossil fuels. The program objective was to evaluate the potential for mercury emissions by leaching or volatilization, to determine if mercury enters the water surrounding an active FGD disposal site and an active fly ash slurry impoundment site, and to provide data that will allow a scientific assessment of the issue. Toxicity Characteristic Leaching Procedure (TCLP) test results showed that mercury did not leach from coal, bottom ash, fly ash, spray dryer/fabric filter ash or forced oxidation gypsum (FOG) in amounts leading to concentrations greater than the detection limit of the TCLP method (1.0 ng/mL). Mercury was detected at very low concentrations in acidic leachates from all of the fixated and more than half of the unfixated FGD sludge samples, and one of the synthetic aggregate samples. Mercury was not detected in leachates from any sample when deionized water (DI water) was the leaching solution. Mercury did not leach from electrostatic precipitator (ESP) fly ash samples collected during activated carbon injection for mercury control in amounts greater than the detection limit of the TCLP method (1.0 ng/mL). Volatilization tests could not detect mercury loss from fly ash, spray dryer/fabric filter ash, unfixated FGD sludge, or forced oxidation gypsum; the mercury concentration of these samples all increased, possibly due to

  18. Ab Initio Nuclear Structure and Reaction Calculations for Rare Isotopes

    SciTech Connect (OSTI)

    Draayer, Jerry P.

    2014-09-28

    We have developed a novel ab initio symmetry-adapted no-core shell model (SA-NCSM), which has opened the intermediate-mass region for ab initio investigations, thereby providing an opportunity for first-principle symmetry-guided applications to nuclear structure and reactions for nuclear isotopes from the lightest p-shell systems to intermediate-mass nuclei. This includes short-lived proton-rich nuclei on the path of X-ray burst nucleosynthesis and rare neutron-rich isotopes to be produced by the Facility for Rare Isotope Beams (FRIB). We have provided ab initio descriptions of high accuracy for low-lying (including collectivity-driven) states of isotopes of Li, He, Be, C, O, Ne, Mg, Al, and Si, and studied related strong- and weak-interaction driven reactions that are important, in astrophysics, for further understanding stellar evolution, X-ray bursts and triggering of s, p, and rp processes, and in applied physics, for electron and neutrino-nucleus scattering experiments as well as for fusion ignition at the National Ignition Facility (NIF).

  19. Land application uses for dry FGD by-products. Phase 1, [Annual report], December 1, 1991--November 30, 1992

    SciTech Connect (OSTI)

    Bigham, J.; Dick, W.; Forster, L.; Hitzhusen, F.; McCoy, E.; Stehouwer, R.; Traina, S.; Wolfe, W.; Haefner, R.

    1993-04-01

    The 1990 amendments to the Clean Air Act have spurred the development of flue gas desulfurization (FGD) processes, several of which produce a dry, solid by-product material consisting of excess sorbent, reaction products containing sulfates and sulfites, and coal fly ash. Presently FGD by-product materials are treated as solid wastes and must be landfilled. However, landfill sites are becoming more scarce and tipping fees are constantly increasing. It is, therefore, highly desirable to find beneficial reuses for these materials provided the environmental impacts are minimal and socially acceptable. Phase 1 results of a 4 and 1/2 year study to demonstrate large volume beneficial uses of FGD by-products are reported. The purpose of the Phase 1 portion of the project was to characterize the chemical, physical, mineralogical and engineering properties of the FGD by-product materials obtained from various FGD technologies being developed in the state of Ohio. Phase 1 also involved the collection of baseline economic data related to the beneficial reuse of these FGD materials. A total of 58 samples were collected and analyzed. In summary Phase 1 results revealed that FGD by-product materials are essentially coal fly ash materials diluted with unreacted sorbent and reaction products. High volume beneficial reuses will depend on the economics of their substituting for existing materials for various types of applications (e.g. as an agricultural liming material, soil borrow for highway embankment construction, and reclamation of active and abandoned surface coal mines). Environmental constraints to the beneficial reuse of dry FGD byproduct materials, based on laboratory and leachate studies, seem to be less than for coal fly ash.

  20. Clean-coal technology by-products used in a highway embankment stabilization demonstration project. Master's thesis

    SciTech Connect (OSTI)

    Nodjomian, S.M.

    1994-01-01

    Clean-coal technology by-products are used in a highway embankment demonstration project. This research chronicles the procedures used in the process and analyzes the stability of a repaired highway embankment. The reconstructed slope is analyzed using an Intelligent Discussion Support System that was developed from a slope stability program. Water quality studies are performed and an instrumentation plan is suggested. The calculated factors of safety and the observed embankment performance give indications that the field demonstration project was a success. Long-term monitoring will be the best barometer for determining embankment gross movement and the future of FGD by-products as a stabilizing material.

  1. Kinetic Model for the Radical Degradation of Tri-Halonitromethane Disinfection Byproducts in Water

    SciTech Connect (OSTI)

    Stephen P. Mezyk; Bruce J. Mincher; William J. Cooper; S. Kirkham Cole; Robert V. Fox; Pieror R. Gardinali

    2012-10-01

    The halonitromethanes (HNMs) are byproducts of the ozonation and chlorine/chloramine treatment of drinking waters. Although typically occurring at low concentrations HNMs have high cytotoxicity and mutagenicity, and may therefore represent a significant human health hazard. In this study, we have investigated the radical based mineralization of fully-halogenated HNMs in water using the congeners bromodichloronitromethane and chlorodibromonitromethane. We have combined absolute reaction rate constants for their reactions with the hydroxyl radical and the hydrated electron as measured by electron pulse radiolysis and analytical measurements of stable product concentrations obtained by 60Co steady-state radiolysis with a kinetic computer model that includes water radiolysis reactions and halide/nitrogen oxide radical chemistry to fully elucidate the reaction pathways of these HNMs. These results are compared to our previous similar study of the fully chlorinated HNM chloropicrin. The full optimized computer model, suitable for predicting the behavior of this class of compounds in irradiated drinking water is provided.

  2. Environmental chamber measurements of mercury flux from coal utilization by-products

    SciTech Connect (OSTI)

    Pekney, Natalie J.; Martello, Donald; Schroeder, Karl; Granite, Evan

    2009-05-01

    An environmental chamber was constructed to measure the mercury flux from coal utilization by-product (CUB) samples. Samples of fly ash, FGD gypsum, and wallboard made from FGD gypsum were tested under both dark and illuminated conditions with or without the addition of water to the sample. Mercury releases varied widely, with 7- day experiment averages ranging from -6.8 to 73 ng/m(2) h for the fly ash samples and -5.2 to 335 ng/m(2) h for the FGD/wallboard samples. Initial mercury content, fly ash type, and light exposure had no observable consistent effects on the mercury flux. For the fly ash samples, the effect of a mercury control technology was to decrease the emission. For three of the four pairs of FGD gypsum and wallboard samples, the wallboard sample released less (or absorbed more) mercury than the gypsum.

  3. Environmental chamber measurements of mercury flux from coal utilization by-products

    SciTech Connect (OSTI)

    Pekney, N.J.; Martello, D.V.; Schroeder, K.T.; Granite, E.J.

    2009-05-01

    An environmental chamber was constructed to measure the mercury flux from coal utilization by-product (CUB) samples. Samples of fly ash, FGD gypsum, and wallboard made from FGD gypsum were tested under both dark and illuminated conditions with or without the addition of water to the sample. Mercury releases varied widely, with 7-day experiment averages ranging from -6.8 to 73 ng/m2 h for the fly ash samples and -5.2 to 335 ng/m2 h for the FGD/wallboard samples. Initial mercury content, fly ash type, and light exposure had no observable consistent effects on the mercury flux. For the fly ash samples, the effect of a mercury control technology was to decrease the emission. For three of the four pairs of FGD gypsum and wallboard samples, the wallboard sample released less (or absorbed more) mercury than the gypsum.

  4. Proinflammatory adipokine leptin mediates disinfection byproduct bromodichloromethane-induced early steatohepatitic injury in obesity

    SciTech Connect (OSTI)

    Das, Suvarthi; Kumar, Ashutosh; Seth, Ratanesh Kumar; Tokar, Erik J.; Kadiiska, Maria B.; Waalkes, Michael P.; Mason, Ronald P.; Chatterjee, Saurabh

    2013-06-15

    Today's developed world faces a major public health challenge in the rise in the obese population and the increased incidence in fatty liver disease. There is a strong association among diet induced obesity, fatty liver disease and development of nonalcoholic steatohepatitis but the environmental link to disease progression remains unclear. Here we demonstrate that in obesity, early steatohepatitic lesions induced by the water disinfection byproduct bromodichloromethane are mediated by increased oxidative stress and leptin which act in synchrony to potentiate disease progression. Low acute exposure to bromodichloromethane (BDCM), in diet-induced obesity produced oxidative stress as shown by increased lipid peroxidation, protein free radical and nitrotyrosine formation and elevated leptin levels. Exposed obese mice showed histopathological signs of early steatohepatitic injury and necrosis. Spontaneous knockout mice for leptin or systemic leptin receptor knockout mice had significantly decreased oxidative stress and TNF-? levels. Co-incubation of leptin and BDCM caused Kupffer cell activation as shown by increased MCP-1 release and NADPH oxidase membrane assembly, a phenomenon that was decreased in Kupffer cells isolated from leptin receptor knockout mice. In obese mice that were BDCM-exposed, livers showed a significant increase in Kupffer cell activation marker CD68 and, increased necrosis as assessed by levels of isocitrate dehydrogenase, events that were decreased in the absence of leptin or its receptor. In conclusion, our results show that exposure to the disinfection byproduct BDCM in diet-induced obesity augments steatohepatitic injury by potentiating the effects of leptin on oxidative stress, Kupffer cell activation and cell death in the liver. - Highlights: ? BDCM acute exposure sensitizes liver to increased free radical stress in obesity. ? BDCM-induced higher leptin contributes to early steatohepatitic lesions. ? Increased leptin mediates protein radical

  5. Ab-initio study of transition metal hydrides

    SciTech Connect (OSTI)

    Sharma, Ramesh; Shukla, Seema Dwivedi, Shalini Sharma, Yamini

    2014-04-24

    We have performed ab initio self consistent calculations based on Full potential linearized augmented plane wave (FP-LAPW) method to investigate the optical and thermal properties of yttrium hydrides. From the band structure and density of states, the optical absorption spectra and specific heats have been calculated. The band structure of Yttrium metal changes dramatically due to hybridization of Y sp orbitals with H s orbitals and there is a net charge transfer from metal to hydrogen site. The electrical resistivity and specific heats of yttrium hydrides are lowered but the thermal conductivity is slightly enhanced due to increase in scattering from hydrogen sites.

  6. Ab initio Study of He Stability in hcp-Ti

    SciTech Connect (OSTI)

    Dai, Yunya; Yang, Li; Peng, SM; Long, XG; Gao, Fei; Zu, Xiaotao T.

    2010-12-20

    The stability of He in hcp-Ti was studied using ab initio method based on density functional theory. The results indicate that a single He atom prefers to occupy the tetrahedral site rather than the octahedral site. The interaction of He defects with Ti atoms has been used to explain the relative stabilities of He point defects in hcp-Ti. The relative stability of He defects in hcp-Ti is useful for He clustering and bubble nucleation in metal tritides, which provides the basis for development of improved atomistic models.

  7. Task 1.13 - Data Collection and Database Development for Clean Coal Technology By-Product Characteristics and Management Practices

    SciTech Connect (OSTI)

    Debra F. Pflughoeft-Hassett

    1998-02-01

    U.S. Department of Energy Federal Energy Technology Center-Morgantown (DOE FETC) efforts in the areas of fossil fuels and clean coal technology (CCT) have included involvement with both conventional and advanced process coal conversion by-products. In 1993, DOE submitted a Report to Congress on "Barriers to the Increased Utilization of Coal Combustion Desulfurization Byproducts by Governmental and Commercial Sectors" that provided an outline of activities to remove the barriers identified in the report. DOE charged itself with participation in this process, and the work proposed in this document facilitates DOE's response to its own recommendations for action. The work reflects DOE's commitment to the coal combustion by-product (CCB) industry, to the advancement of clean coal technology, and to cooperation with other government agencies. Information from DOE projects and commercial endeavors in fluidized-bed combustion (FBC) and coal gasification is the focus of this task. The primary goal is to provide an easily accessible compilation of characterization information on the by-products from these processes to government agencies and industry to facilitate sound regulatory and management decisions. Additional written documentation will facilitate the preparation of an updated final version of background information collected for DOE in preparation of the Report to Congress on barriers to CCB utilization.

  8. Management of dry gas desulfurization by-products in underground mines. Quarterly report, October 1--December 31, 1996

    SciTech Connect (OSTI)

    1996-12-31

    The objective is to develop and demonstrate two technologies for the placement of coal combustion by-products in abandoned underground coal mines, and to assess the environmental impact of these technologies for the management of coal combustion by-products. The two technologies for the underground placement that will be developed and demonstrated are: (1) pneumatic placement using virtually dry coal combustion by-products, and (2) hydraulic placement using a paste mixture of combustion by-products with about 70% solids. Phase 2 of the overall program began April 1, 1996. The principal objective of Phase 2 is to develop and fabricate the equipment for both the pneumatic and hydraulic placement technologies, and to conduct a limited, small-scale shakedown test of the pneumatic and hydraulic placement equipment. The shakedown test originally was to take place on the surface, in trenches dug for the tests. However, after a thorough study it was decided, with the concurrence of DOE-METC, to drill additional injection wells and conduct the shakedown tests underground. This will allow a more thorough test of the placement equipment.

  9. Ab Initio Thermodynamic Model for Magnesium Carbonates and Hydrates

    SciTech Connect (OSTI)

    Chaka, Anne M.; Felmy, Andrew R.

    2014-03-28

    An ab initio thermodynamic framework for predicting properties of hydrated magnesium carbonate minerals has been developed using density-functional theory linked to macroscopic thermodynamics through the experimental chemical potentials for MgO, water, and CO2. Including semiempirical dispersion via the Grimme method and small corrections to the generalized gradient approximation of Perdew, Burke, and Ernzerhof for the heat of formation yields a model with quantitative agreement for the benchmark minerals brucite, magnesite, nesquehonite, and hydromagnesite. The model shows how small differences in experimental conditions determine whether nesquehonite, hydromagnesite, or magnesite is the result of laboratory synthesis from carbonation of brucite, and what transformations are expected to occur on geological time scales. Because of the reliance on parameter-free first principles methods, the model is reliably extensible to experimental conditions not readily accessible to experiment and to any mineral composition for which the structure is known or can be hypothesized, including structures containing defects, substitutions, or transitional structures during solid state transformations induced by temperature changes or processes such as water, CO2, or O2 diffusion. Demonstrated applications of the ab initio thermodynamic framework include an independent means to evaluate differences in thermodynamic data for lansfordite, predicting the properties of Mg analogs of Ca-based hydrated carbonates monohydrocalcite and ikaite which have not been observed in nature, and an estimation of the thermodynamics of barringtonite from the stoichiometry and a single experimental observation.

  10. Three-cluster dynamics within an ab initio framework

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

    Quaglioni, Sofia; Romero-Redondo, Carolina; Navratil, Petr

    2013-09-26

    In this study, we introduce a fully antisymmetrized treatment of three-cluster dynamics within the ab initio framework of the no-core shell model/resonating-group method. Energy-independent nonlocal interactions among the three nuclear fragments are obtained from realistic nucleon-nucleon interactions and consistent ab initio many-body wave functions of the clusters. The three-cluster Schrödinger equation is solved with bound-state boundary conditions by means of the hyperspherical-harmonic method on a Lagrange mesh. We discuss the formalism in detail and give algebraic expressions for systems of two single nucleons plus a nucleus. Using a soft similarity-renormalization-group evolved chiral nucleon-nucleon potential, we apply the method to amore » 4He+n+n description of 6He and compare the results to experiment and to a six-body diagonalization of the Hamiltonian performed within the harmonic-oscillator expansions of the no-core shell model. Differences between the two calculations provide a measure of core (4He) polarization effects.« less

  11. Light Source

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

    a Light Source Data and Analysis Framework at NERSC Jack Deslippe, Shane Canon, Eli Dart, Abdelilah Essiari, Alexander Hexemer, Dula Parkinson, Simon Patton, Craig Tull + Many More The ALS Data Needs September 21, 2010 - NIST (MD) Light source data volumes are growing many times faster than Moore's law. ● Light source luminosity ● Detector resolution & rep-rates ● Sample automation BES user facilities serve 10,000 scientists and engineers every year. Mostly composed of many small

  12. Ion source

    DOE Patents [OSTI]

    Leung, Ka-Ngo; Ehlers, Kenneth W.

    1984-01-01

    A magnetic filter for an ion source reduces the production of undesired ion species and improves the ion beam quality. High-energy ionizing electrons are confined by the magnetic filter to an ion source region, where the high-energy electrons ionize gas molecules. One embodiment of the magnetic filter uses permanent magnets oriented to establish a magnetic field transverse to the direction of travel of ions from the ion source region to the ion extraction region. In another embodiment, low energy 16 eV electrons are injected into the ion source to dissociate gas molecules and undesired ion species into desired ion species.

  13. ION SOURCE

    DOE Patents [OSTI]

    Martina, E.F.

    1958-04-22

    An improved ion source particularly adapted to provide an intense beam of ions with minimum neutral molecule egress from the source is described. The ion source structure includes means for establishing an oscillating electron discharge, including an apertured cathode at one end of the discharge. The egress of ions from the source is in a pencil like beam. This desirable form of withdrawal of the ions from the plasma created by the discharge is achieved by shaping the field at the aperture of the cathode. A tubular insulator is extended into the plasma from the aperture and in cooperation with the electric fields at the cathode end of the discharge focuses the ions from the source,

  14. Non-stoichiometric AB5 alloys for metal hydride electrodes

    DOE Patents [OSTI]

    Reilly, James J.; Adzic, Gordana D.; Johnson, John R.; Vogt, Thomas; McBreen, James

    2001-01-01

    The present invention provides a non-stoichiometric alloy comprising a composition having the formula AB.sub.5+X an atomic ratio wherein A is selected from the group consisting of the rare earth metals, yttrium, mischmetal, or a combination thereof; B is nickel and tin, or nickel and tin and at least a third element selected from the group consisting of the elements in group IVA of the periodic table, aluminum, manganese, iron, cobalt, copper, antimony or a combination thereof; X is greater than 0 and less than or equal to about 2.0; and wherein at least one substituted A site is occupied by at least one of the B elements. An electrode incorporating said alloy and an electrochemical cell incorporating said electrode are also described.

  15. Ab initio study of helium behavior in titanium tritides

    SciTech Connect (OSTI)

    Liang, J. H.; Dai, Yunya; Yang, Li; Peng, SM; Fan, K. M.; Long, XG; Zhou, X. S.; Zu, Xiaotao; Gao, Fei

    2013-03-01

    Ab initio calculations based on density functional theory have been performed to investigate the relative stability of titanium tritides and the helium behavior in stable titanium tritides. The results show that the β-phase TiT1.5 without two tritium along the [100] direction (TiT1.5[100]) is more stable than other possible structures. The stability of titanium tritides decrease with the increased generation of helium in TiT1.5[100]. In addition, helium generated by tritium decay prefers locating at a tetrahedral site, and favorably migrates between two neighbor vacant tetrahedral sites through an intermediate octahedral site in titanium tritides, with a migration energy of 0.23 eV. Furthermore, helium is easily accumulated on a (100) plane in β-phase TiT1.5[100].

  16. Deletion of nfnAB in Thermoanaerobacterium saccharolyticum and Its Effect on Metabolism

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

    Lo, Jonathan; Zheng, Tianyong; Olson, Daniel G.; Ruppertsberger, Natalie; Tripathi, Shital A.; Guss, Adam M.; Lynd, Lee R.

    2015-06-29

    NfnAB catalyzes the reversible transfer of electrons from reduced ferredoxin and NADH to 2 NADP+. The NfnAB complex has been hypothesized to be the main enzyme for ferredoxin oxidization in strains of Thermoanaerobacterium saccharolyticum engineered for increased ethanol production. NfnAB complex activity was detectable in crude cell extracts of T. saccharolyticum. In this paper, activity was also detected using activity staining of native PAGE gels. The nfnAB gene was deleted in different strains of T. saccharolyticum to determine its effect on end product formation. In wild-type T. saccharolyticum, deletion of nfnAB resulted in a 46% increase in H2 formation butmore » otherwise little change in other fermentation products. In two engineered strains with 80% theoretical ethanol yield, loss of nfnAB caused two different responses: in one strain, ethanol yield decreased to about 30% of the theoretical value, while another strain had no change in ethanol yield. Biochemical analysis of cell extracts showed that the ΔnfnAB strain with decreased ethanol yield had NADPH-linked alcohol dehydrogenase (ADH) activity, while the ΔnfnAB strain with unchanged ethanol yield had NADH-linked ADH activity. Deletion of nfnAB caused loss of NADPH-linked ferredoxin oxidoreductase activity in all cell extracts. Significant NADH-linked ferredoxin oxidoreductase activity was seen in all cell extracts, including those that had lost nfnAB. This suggests that there is an unidentified NADH:ferredoxin oxidoreductase (distinct from nfnAB) playing a role in ethanol formation. The NfnAB complex plays a key role in generating NADPH in a strain that had become reliant on NADPH-ADH activity. Importance: Thermophilic anaerobes that can convert biomass-derived sugars into ethanol have been investigated as candidates for biofuel formation. Many anaerobes have been genetically engineered to increase biofuel formation; however, key aspects of metabolism remain unknown and poorly understood. One

  17. Chloride-free processing of aluminum scrap to recover by-product materials

    SciTech Connect (OSTI)

    Riley, W.D.; Jong, B.W.

    1995-12-31

    The US Bureau of Mines has developed technology to recover by-product materials from aluminum scrap using engineered scavenger compounds (ESC). ESCs are structural oxides with a channel or tunnel structure that allows them to hold ions of a specific sizes and charges. The scavenging reaction is easily reversible allowing the ESC to be recharged for continued use and the ion is recovered as an electrodeposit. Key features of this novel technology are: (a) ESC systems are designed to have a high degree of selectivity for a desired ionic species. (b) The recovered material requires little or no additional reprocessing prior to reuse. Two current uses for the ESC technology that are described in this paper are the removal and recycle of lithium (Li) from lithium aluminum (Li-Al) alloys; and, using ESCs as a replacement for the conventional demaging (magnesium removal) technology used by the secondary casting industry. Research indicates that the ESC technology proposed for both these applications has either distinct economic and/or environmental advantages over previously employed methods of recovering metal values from aluminum scrap.

  18. Electrolysis byproduct D2O provides a third way to mitigate CO2

    SciTech Connect (OSTI)

    Schenewerk, William Ernest

    2009-09-01

    Rapid atomic power deployment may be possible without using fast breeder reactors or making undue demands on uranium resource. Using by-product D2O and thorium-U233 in CANDU and RBMK piles may circumvent need for either fast breeder reactors or seawater uranium. Atmospheric CO2 is presently increasing 2.25%/year in proportion to 2.25%/year exponential fossil fuel consumption increase. Roughly 1/3 anthropologic CO2 is removed by various CO2 sinks. CO2 removal is modelled as being proportional to 45-year-earlier CO2 amount above 280 ppm-C Water electrolysis produces roughly 0.1 kg-D20/kWe-y. Material balance assumes each electrolysis stage increases D2O bottoms concentration times 3. Except for first two electrolysis stages, all water from hydrogen consumption is returned to electrolysis. The unique characteristic of this process is the ability to economically burn all deuterium-enriched H2 in vehicles. Condensate from vehicles returns to appropriate electrolysis stage. Fuel cell condensate originally from reformed natural gas may augment second-sage feed. Atomic power expansion is 5%/year, giving 55000 GWe by 2100. World primary energy increases 2.25%/y, exceeding 4000 EJ/y by 2100. CO2 maximum is roughly 600 ppm-C around year 2085. CO2 declines back below 300 ppm-C by 2145 if the 45-year-delay seawater sink remains effective.

  19. FGD Additives to Segregate and Sequester Mercury in Solid Byproducts - Final Report

    SciTech Connect (OSTI)

    Searcy, K; Bltyhe, G M; Steen, W A

    2012-02-28

    Many mercury control strategies for U.S. coal-fired power generating plants involve co-benefit capture of oxidized mercury from flue gases treated by wet flue gas desulfurization (FGD) systems. For these processes to be effective at overall mercury control, the captured mercury must not be re-emitted to the atmosphere or into surface or ground water. The project sought to identify scrubber additives and FGD operating conditions under which mercury re-emissions would decrease and mercury would remain in the liquor and be blown down from the system in the chloride purge stream. After exiting the FGD system, mercury would react with precipitating agents to form stable solid byproducts and would be removed in a dewatering step. The FGD gypsum solids, free of most of the mercury, could then be disposed or processed for reuse as wallboard or in other beneficial reuse. The project comprised extensive bench-scale FGD scrubber tests in Phases I and II. During Phase II, the approaches developed at the bench scale were tested at the pilot scale. Laboratory wastewater treatment tests measured the performance of precipitating agents in removing mercury from the chloride purge stream. Finally, the economic viability of the approaches tested was evaluated.

  20. NEUTRON SOURCES

    DOE Patents [OSTI]

    Richmond, J.L.; Wells, C.E.

    1963-01-15

    A neutron source is obtained without employing any separate beryllia receptacle, as was formerly required. The new method is safer and faster, and affords a source with both improved yield and symmetry of neutron emission. A Be container is used to hold and react with Pu. This container has a thin isolating layer that does not obstruct the desired Pu--Be reaction and obviates procedures previously employed to disassemble and remove a beryllia receptacle. (AEC)

  1. Engine with hydraulic fuel injection and ABS circuit using a single high pressure pump

    DOE Patents [OSTI]

    Bartley, Bradley E.; Blass, James R.; Gibson, Dennis H.

    2001-01-01

    An engine system comprises a hydraulically actuated fuel injection system and an ABS circuit connected via a fluid flow passage that provides hydraulic fluid to both the fuel injection system and to the ABS circuit. The hydraulically actuated system includes a high pressure pump. The fluid control passage is in fluid communication with an outlet from the high pressure pump.

  2. Management of dry flue gas desulfurization by-products in underground mines. Quarterly report, April 1--June 30, 1996

    SciTech Connect (OSTI)

    1997-05-01

    On September 30, 1993, the US Department of Energy - Morgantown Energy Technology Center (DOE-METC) and Southern Illinois University at Carbondale (SIUC) entered into a cooperative research agreement entitled {open_quotes}Management of Dry Flue Gas Desulfurization By-Products in Underground Mines{close_quotes} (DE-FC21-93MC30252). Under the agreement Southern Illinois University at Carbondale will develop and demonstrate two technologies for the placement of coal combustion residues in abandoned underground coal mines, and will assess the environmental impact of these technologies for the management of coal combustion by-products. The two technologies for the underground placement that will be developed and demonstrated are: (1) pneumatic placement, using virtually dry materials, and (2) hydraulic placement, using a {open_quotes}paste{close_quotes} mixture of materials with about 70% solids. Phase II of the overall program began April 1, 1996. The principal objective of Phase II is to develop and fabricate the equipment for placing the coal combustion by-products underground, and to conduct a demonstration of the technologies on the surface. Therefore, this quarter has been largely devoted to developing specifications for equipment components, visiting fabrication plants throughout Southern Illinois to determine their capability for building the equipment components in compliance with the specifications, and delivering the components in a timely manner.

  3. Management of dry flue gas desulfurization by-products in underground mines. Topical report, April 1, 1996--April 30, 1997

    SciTech Connect (OSTI)

    Chugh, Y.P.; Brackebusch, F.; Carpenter, J.

    1998-12-31

    This report represents the Final Technical Progress Report for Phase II of the overall program for a cooperative research agreement between the U.S. Department of Energy - MORGANTOWN Energy Technology Center (DOE-METC) and Southern Illinois University at Carbondale (SIUC). Under the agreement, SIUC will develop and demonstrate technologies for the handling, transport, and placement in abandoned underground coal mines of dry flue gas desulfurization by-products, such as fly ash, scrubber sludge, fluidized bed combustion by-products, and will assess the environmental impact of such underground placement. The overall program is divided into three (3) phases. Phase II of the program is primarily concerned with developing and testing the hardware for the actual underground placement demonstrations. Two technologies have been identified and hardware procured for full-scale demonstrations: (1) hydraulic placement, where coal combustion by-products (CCBs) will be placed underground as a past-like mixture containing about 70 to 75 percent solids; and (2) pneumatic placement, where CCBs will be placed underground as a relatively dry material using compressed air. 42 refs., 36 figs., 36 tabs.

  4. Effect of industrial by-products containing electron acceptors on mitigating methane emission during rice cultivation

    SciTech Connect (OSTI)

    Ali, Muhammad Aslam; Lee, Chang Hoon; Kim, Sang Yoon; Kim, Pil Joo

    2009-10-15

    Three industrial by-products (fly ash, phosphogypsum and blast furnace slag), were evaluated for their potential re-use as soil amendments to reduce methane (CH{sub 4}) emission resulting from rice cultivation. In laboratory incubations, CH{sub 4} production rates from anoxic soil slurries were significantly reduced at amendment levels of 0.5%, 1%, 2% and 5% (wt wt{sup -1}), while observed CO{sub 2} production rates were enhanced. The level of suppression in methane production was the highest for phosphogypsum, followed by blast slag and then fly ash. In the greenhouse experiment, CH{sub 4} emission rates from the rice planted potted soils significantly decreased with the increasing levels (2-20 Mg ha{sup -1}) of the selected amendments applied, while rice yield simultaneously increased compared to the control treatment. At 10 Mg ha{sup -1} application level of the amendments, total seasonal CH{sub 4} emissions were reduced by 20%, 27% and 25%, while rice grain yields were increased by 17%, 15% and 23% over the control with fly ash, phosphogypsum, and blast slag amendments, respectively. The suppression of CH{sub 4} production rates as well as total seasonal CH{sub 4} flux could be due to the increased concentrations of active iron, free iron, manganese oxides, and sulfate in the amended soil, which acted as electron acceptors and controlled methanogens' activity by limiting substrates availability. Among the amendments, blast furnace slag and fly ash contributed mainly to improve the soil nutrients balance and increased the soil pH level towards neutral point, but soil acidity was developed with phosphogypsum application. Conclusively, blast slag among the selected amendments would be a suitable soil amendment for reducing CH{sub 4} emissions as well as sustaining rice productivity.

  5. Neutron source

    DOE Patents [OSTI]

    Cason, J.L. Jr.; Shaw, C.B.

    1975-10-21

    A neutron source which is particularly useful for neutron radiography consists of a vessel containing a moderating media of relatively low moderating ratio, a flux trap including a moderating media of relatively high moderating ratio at the center of the vessel, a shell of depleted uranium dioxide surrounding the moderating media of relatively high moderating ratio, a plurality of guide tubes each containing a movable source of neutrons surrounding the flux trap, a neutron shield surrounding one part of each guide tube, and at least one collimator extending from the flux trap to the exterior of the neutron source. The shell of depleted uranium dioxide has a window provided with depleted uranium dioxide shutters for each collimator. Reflectors are provided above and below the flux trap and on the guide tubes away from the flux trap.

  6. ION SOURCE

    DOE Patents [OSTI]

    Leland, W.T.

    1960-01-01

    The ion source described essentially eliminater the problem of deposits of nonconducting materials forming on parts of the ion source by certain corrosive gases. This problem is met by removing both filament and trap from the ion chamber, spacing them apart and outside the chamber end walls, placing a focusing cylinder about the filament tip to form a thin collimated electron stream, aligning the cylinder, slits in the walls, and trap so that the electron stream does not bombard any part in the source, and heating the trap, which is bombarded by electrons, to a temperature hotter than that in the ion chamber, so that the tendency to build up a deposit caused by electron bombardment is offset by the extra heating supplied only to the trap.

  7. NEUTRON SOURCE

    DOE Patents [OSTI]

    Reardon, W.A.; Lennox, D.H.; Nobles, R.G.

    1959-01-13

    A neutron source of the antimony--beryllium type is presented. The source is comprised of a solid mass of beryllium having a cylindrical recess extending therein and a cylinder containing antimony-124 slidably disposed within the cylindrical recess. The antimony cylinder is encased in aluminum. A berylliunn plug is removably inserted in the open end of the cylindrical recess to completely enclose the antimony cylinder in bsryllium. The plug and antimony cylinder are each provided with a stud on their upper ends to facilitate handling remotely.

  8. Ab initio description of the exotic unbound 7He nucleus

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

    Baroni, Simone; Navratil, Petr; Quaglioni, Sofia

    2013-01-11

    In this study, the neutron-rich unbound 7He nucleus has been the subject of many experimental investigations. While the ground-state 3/2– resonance is well established, there is a controversy concerning the excited 1/2– resonance reported in some experiments as low lying and narrow (ER~1 MeV, Γ≤1 MeV) while in others as very broad and located at a higher energy. This issue cannot be addressed by ab initio theoretical calculations based on traditional bound-state methods. We introduce a new unified approach to nuclear bound and continuum states based on the coupling of the no-core shell model, a bound-state technique, with the no-coremore » shell model combined with the resonating-group method, a nuclear scattering technique. Our calculations describe the ground-state resonance in agreement with experiment and, at the same time, predict a broad 1/2– resonance above 2 MeV.« less

  9. " Row: Selected SIC Codes; Column: Energy Sources;"

    U.S. Energy Information Administration (EIA) Indexed Site

    S5.1. Selected Byproducts in Fuel Consumption, 1998;" " Level: National Data; " " Row: Selected SIC Codes; Column: Energy Sources;" " Unit: Trillion Btu." " "," "," "," "," "," "," "," ","Waste"," ",," " " "," "," ","Blast"," "," ","Pulping Liquor","

  10. Mercury and Air Toxic Element Impacts of Coal Combustion By-Product Disposal and Utilizaton

    SciTech Connect (OSTI)

    David Hassett; Loreal Heebink; Debra Pflughoeft-Hassett; Tera Buckley; Erick Zacher; Mei Xin; Mae Sexauer Gustin; Rob Jung

    2007-03-31

    The University of North Dakota Energy & Environmental Research Center (EERC) conducted a multiyear study to evaluate the impact of mercury and other air toxic elements (ATEs) on the management of coal combustion by-products (CCBs). The ATEs evaluated in this project were arsenic, cadmium, chromium, lead, nickel, and selenium. The study included laboratory tasks to develop measurement techniques for mercury and ATE releases, sample characterization, and release experiments. A field task was also performed to measure mercury releases at a field site. Samples of fly ash and flue gas desulfurization (FGD) materials were collected preferentially from full-scale coal-fired power plants operating both without and with mercury control technologies in place. In some cases, samples from pilot- and bench-scale emission control tests were included in the laboratory studies. Several sets of 'paired' baseline and test fly ash and FGD materials collected during full-scale mercury emission control tests were also included in laboratory evaluations. Samples from mercury emission control tests all contained activated carbon (AC) and some also incorporated a sorbent-enhancing agent (EA). Laboratory release experiments focused on measuring releases of mercury under conditions designed to simulate CCB exposure to water, ambient-temperature air, elevated temperatures, and microbes in both wet and dry conditions. Results of laboratory evaluations indicated that: (1) Mercury and sometimes selenium are collected with AC used for mercury emission control and, therefore, present at higher concentrations than samples collected without mercury emission controls present. (2) Mercury is stable on CCBs collected from systems both without and with mercury emission controls present under most conditions tested, with the exception of vapor-phase releases of mercury exposed to elevated temperatures. (3) The presence of carbon either from added AC or from unburned coal can result in mercury being

  11. ION SOURCE

    DOE Patents [OSTI]

    Bell, W.A. Jr.; Love, L.O.; Prater, W.K.

    1958-01-28

    An ion source is presented capable of producing ions of elements which vaporize only at exceedingly high temperatures, i.e.,--1500 degrees to 3000 deg C. The ion source utilizes beams of electrons focused into a first chamber housing the material to be ionized to heat the material and thereby cause it to vaporize. An adjacent second chamber receives the vaporized material through an interconnecting passage, and ionization of the vaporized material occurs in this chamber. The ionization action is produced by an arc discharge sustained between a second clectron emitting filament and the walls of the chamber which are at different potentials. The resultant ionized material egresses from a passageway in the second chamber. Using this device, materials which in the past could not be processed in mass spectometers may be satisfactorily ionized for such applications.

  12. ION SOURCE

    DOE Patents [OSTI]

    Brobeck, W.M.

    1959-04-14

    This patent deals with calutrons and more particularly to an arrangement therein whereby charged bottles in a calutron source unit may be replaced without admitting atmospheric air to the calutron vacuum chamber. As described, an ion unit is disposed within a vacuum tank and has a reservoir open toward a wall of the tank. A spike projects from thc source into the reservoir. When a charge bottle is placed in the reservoir, the spike breaks a frangible seal on the bottle. After the contents of the bottle are expended the bottle may be withdrawn and replaced with another charge bottle by a varuum lock arrangement in conjunction with an arm for manipulating the bottle.

  13. Atmospheric characterization of the hot Jupiter Kepler-13Ab

    SciTech Connect (OSTI)

    Shporer, Avi; O'Rourke, Joseph G.; Knutson, Heather A.; Szab, Gyula M.; Zhao, Ming; Burrows, Adam; Fortney, Jonathan; Agol, Eric; Cowan, Nicolas B.; Desert, Jean-Michel; Howard, Andrew W.; Isaacson, Howard; Lewis, Nikole K.; Showman, Adam P.; Todorov, Kamen O.

    2014-06-10

    Kepler-13Ab (= KOI-13.01) is a unique transiting hot Jupiter. It is one of very few known short-period planets orbiting a hot A-type star, making it one of the hottest planets currently known. The availability of Kepler data allows us to measure the planet's occultation (secondary eclipse) and phase curve in the optical, which we combine with occultations observed by warm Spitzer at 4.5 ?m and 3.6 ?m and a ground-based occultation observation in the K{sub s} band (2.1 ?m). We derive a day-side hemisphere temperature of 2750 160 K as the effective temperature of a black body showing the same occultation depths. Comparing the occultation depths with one-dimensional planetary atmosphere models suggests the presence of an atmospheric temperature inversion. Our analysis shows evidence for a relatively high geometric albedo, A {sub g} = 0.33{sub ?0.06}{sup +0.04}. While measured with a simplistic method, a high A {sub g} is supported also by the fact that the one-dimensional atmosphere models underestimate the occultation depth in the optical. We use stellar spectra to determine the dilution, in the four wide bands where occultation was measured, due to the visual stellar binary companion 1.''15 0.''05 away. The revised stellar parameters measured using these spectra are combined with other measurements, leading to revised planetary mass and radius estimates of M{sub p} = 4.94-8.09 M {sub J} and R{sub p} = 1.406 0.038 R {sub J}. Finally, we measure a Kepler midoccultation time that is 34.0 6.9 s earlier than expected based on the midtransit time and the delay due to light-travel time and discuss possible scenarios.

  14. Land application uses of dry FGD by-products. [Quarterly] report, July 1, 1993--September 30, 1993

    SciTech Connect (OSTI)

    Dick, W.A.; Beeghly, J.H.

    1993-12-31

    Reclamation of mine-sites with acid overburden requires the use of alkaline amendments and represents a potential high-volume use of alkaline dry flue gas desulfurization (FGD) by products. In a greenhouse study, 25-cm columns of acid mine spoil were amended with two FGD by-products; lime injection multistage burners (LIMB) fly ash or pressurized fluidized bed (PFBC) fly ash at rates of 0, 4, 8, 16, and 32% by weight (0, 40, 80, 160, and 320 tons/acre). Amended spoil was covered with 20 cm of acid topsoil amended with the corresponding FGD by-product to pH 7. Column leachate pH increased with FGD amendment rate while leachate Fe, Mn, and Zn decreased, Leachate Ca, S, and Mg decreased with LIMB amendment rate and increased with PFBC amendment. Leachate concentrations of regulated metals were decreased or unaffected by FGD amendment except for Se which was increased by PFBC. Spoil pH was increased up to 8.9 by PFBC, and up to 9.2 by LIMB amendment. Spoil pH also increased with depth with FGD amendments of 16 and 32%, Yield of fescue was increased by FGD amendment of 4 to 8%. Plant tissue content of most elements was unaffected by FGD amendment rate, and no toxicity symptoms were observed. Plant Ca and Mg were increased by LIMB and PFBC respectively, while plant S, Mn and Sr were decreased. Plant Ca and B was increased by LIMB, and plant Mg and S by PFBC amendment. These results indicate dry FGD by-products are effective in ameliorating acid, spoils and have a low potential for creating adverse environmental impacts.

  15. Advances in the ab initio description of nuclear three-cluster...

    Office of Scientific and Technical Information (OSTI)

    description of nuclear three-cluster systems Citation Details In-Document Search Title: Advances in the ab initio description of nuclear three-cluster systems Authors: Redondo, C R ...

  16. Ab-initio Carbon Capture in Open-Site Metal Organic Frameworks...

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

    Ab-initio Carbon Capture in Open-Site Metal Organic Frameworks Previous Next List A. ... of CO2 in open-site Mg-MOF-74, which has emerged as a promising MOF for CO2 capture. ...

  17. Peptide isolated from Cry1Ab16 toxin present in Bacillus thuringiensis...

    Office of Scientific and Technical Information (OSTI)

    Peptide isolated from Cry1Ab16 toxin present in Bacillus thuringiensis: Synthesis and morphology data for layer-by-layer films studied by atomic force microscopy Prev Next ...

  18. Docket No. EERE- 2008-BT-STD-0005, RIN 1904-AB57 Ex partecommunicatio...

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

    EERE- 2008-BT-STD-0005, RIN 1904-AB57 Ex parte communication DOE Meeting of June 13, 2012 This memorandum for the record provides a summary of a June 13, 2012, meeting with U.S. ...

  19. Hydrogen Funding and the AB 118 Investment Plan | Department of Energy

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

    Funding and the AB 118 Investment Plan Hydrogen Funding and the AB 118 Investment Plan Presentation at the Renewable Hydrogen Worshop, Nov. 16, 2009, in Palm Springs, CA renewable_hydrogen_workshop_nov16_ward.pdf (61.09 KB) More Documents & Publications Co-production of Hydrogen and Electricity (A Developer's Perspective) California Regulations on Renewble Hydrogen and Low Carbon Technologies IPHE Infrastructure Workshop - Workshop Proceedings, February 25-26, 2010 Sacramento, CA

  20. Ab InitioIntermolecular Potentials (Journal Article) | SciTech Connect

    Office of Scientific and Technical Information (OSTI)

    Ab InitioIntermolecular Potentials Citation Details In-Document Search Title: Ab InitioIntermolecular Potentials Authors: Velaga, Srinath C ; Anderson, Brian J Publication Date: 2014-01-16 OSTI Identifier: 1165040 Report Number(s): A-UNIV-PUB-094 Journal ID: ISSN 1520-6106 DOE Contract Number: DE-FE0004000 Resource Type: Journal Article Resource Relation: Journal Name: Journal of Physical Chemistry. B, Condensed Matter, Materials, Surfaces, Interfaces and Biophysical Chemistry; Journal Volume:

  1. An Ab Initio Approach Towards Engineering Fischer-Tropsch Surface Chemistry

    SciTech Connect (OSTI)

    Matthew Neurock

    2006-09-11

    One of the greatest societal challenges over the next decade is the production of cheap, renewable energy for the 10 billion people that inhabit the earth. This will require the development of various energy sources which will likely include fuels derived from methane, coal, and biomass and alternatives sources such as solar, wind and nuclear energy. One approach will be to synthesize gasoline and other fuels from simpler hydrocarbons such as CO derived from methane or other U.S. based sources such as coal. Syngas (CO and H{sub 2}) can be readily converted into higher molecular weight hydrocarbons through Fischer-Tropsch synthesis. Fischer-Tropsch (FT) synthesis involves the adsorption and the activation of CO and H{sub 2}, the subsequent propagation steps including hydrogenation and carbon-carbon coupling, followed by chain termination reactions. The current commercial catalysts are supported Co and Co-alloys particles. This project set out with the following objectives in mind: (1) understand the reaction mechanisms that control FT kinetics, (2) predict how the intrinsic metal-adsorbate bond affects the sequence of elementary steps in FT, (3) establish the effects of the reaction environment on catalytic activity and selectivity, (4) construct a first-principles based algorithm that can incorporate the detailed atomic surface structure and simulate the kinetics for the myriad of elementary pathways that make up FT chemistry, and (5) suggest a set of optimal features such as alloy composition and spatial configuration, oxide support, distribution of defect sites. As part of this effort we devoted a significant portion of time to develop an ab initio based kinetic Monte Carlo simulation which can be used to follow FT surface chemistry over different transition metal and alloy surfaces defined by the user. Over the life of this program, we have used theory and have developed and applied stochastic Monte Carlo simulations in order to establish the fundamental

  2. Technical support for the Ohio Clean Coal Technology Program. Volume 2, Baseline of knowledge concerning process modification opportunities, research needs, by-product market potential, and regulatory requirements: Final report

    SciTech Connect (OSTI)

    Olfenbuttel, R.; Clark, S.; Helper, E.; Hinchee, R.; Kuntz, C.; Means, J.; Oxley, J.; Paisley, M.; Rogers, C.; Sheppard, W.; Smolak, L.

    1989-08-28

    This report was prepared for the Ohio Coal Development Office (OCDO) under Grant Agreement No. CDO/R-88-LR1 and comprises two volumes. Volume 1 presents data on the chemical, physical, and leaching characteristics of by-products from a wide variety of clean coal combustion processes. Volume 2 consists of a discussion of (a) process modification waste minimization opportunities and stabilization considerations; (b) research and development needs and issues relating to clean coal combustion technologies and by-products; (c) the market potential for reusing or recycling by-product materials; and (d) regulatory considerations relating to by-product disposal or reuse.

  3. Appalachian Basin Play Fairway Analysis: Thermal Quality Analysis in Low-Temperature Geothermal Play Fairway Analysis (GPFA-AB

    SciTech Connect (OSTI)

    Teresa E. Jordan

    2015-11-15

    This collection of files are part of a larger dataset uploaded in support of Low Temperature Geothermal Play Fairway Analysis for the Appalachian Basin (GPFA-AB, DOE Project DE-EE0006726). Phase 1 of the GPFA-AB project identified potential Geothermal Play Fairways within the Appalachian basin of Pennsylvania, West Virginia and New York. This was accomplished through analysis of 4 key criteria or ‘risks’: thermal quality, natural reservoir productivity, risk of seismicity, and heat utilization. Each of these analyses represent a distinct project task, with the fifth task encompassing combination of the 4 risks factors. Supporting data for all five tasks has been uploaded into the Geothermal Data Repository node of the National Geothermal Data System (NGDS). This submission comprises the data for Thermal Quality Analysis (project task 1) and includes all of the necessary shapefiles, rasters, datasets, code, and references to code repositories that were used to create the thermal resource and risk factor maps as part of the GPFA-AB project. The identified Geothermal Play Fairways are also provided with the larger dataset. Figures (.png) are provided as examples of the shapefiles and rasters. The regional standardized 1 square km grid used in the project is also provided as points (cell centers), polygons, and as a raster. Two ArcGIS toolboxes are available: 1) RegionalGridModels.tbx for creating resource and risk factor maps on the standardized grid, and 2) ThermalRiskFactorModels.tbx for use in making the thermal resource maps and cross sections. These toolboxes contain “item description” documentation for each model within the toolbox, and for the toolbox itself. This submission also contains three R scripts: 1) AddNewSeisFields.R to add seismic risk data to attribute tables of seismic risk, 2) StratifiedKrigingInterpolation.R for the interpolations used in the thermal resource analysis, and 3) LeaveOneOutCrossValidation.R for the cross validations used in

  4. Radiation source

    DOE Patents [OSTI]

    Thode, Lester E.

    1981-01-01

    A device and method for relativistic electron beam heating of a high-density plasma in a small localized region. A relativistic electron beam generator or accelerator produces a high-voltage electron beam which propagates along a vacuum drift tube and is modulated to initiate electron bunching within the beam. The beam is then directed through a low-density gas chamber which provides isolation between the vacuum modulator and the relativistic electron beam target. The relativistic beam is then applied to a high-density target plasma which typically comprises DT, DD, or similar thermonuclear gas at a density of 10.sup.17 to 10.sup.20 electrons per cubic centimeter. The target gas is ionized prior to application of the relativistic electron beam by means of a laser or other preionization source to form a plasma. Utilizing a relativistic electron beam with an individual particle energy exceeding 3 MeV, classical scattering by relativistic electrons passing through isolation foils is negligible. As a result, relativistic streaming instabilities are initiated within the high-density target plasma causing the relativistic electron beam to efficiently deposit its energy into a small localized region of the high-density plasma target.

  5. Environmental release of mercury from coal utilization by-products: will new mercury controls at power plants make a difference?

    SciTech Connect (OSTI)

    Aljoe, W.W.; Feeley, T.J., III; Brickett, L.A.; Schroeder, K.T.; Murphy, J.T. [National Energy Technology Laboratory, Pittsburgh, PA (US)

    2005-09-30

    The US Department of Energy's National Energy Technology Laboratory (DOE/NETL) uses the term coal utilization by-products (CUBs) to describe the solid materials produced by the combustion or gasification of coal. The following general observations can be drawn from results of field tests that have been carried out thus far to determine whether new technologies for mercury emission control at coal power plants will affect the release of mercury from CUBs. There appears to be only minimal potential mercury release to the environment in typical disposal or utilization application for CUBs generated using ACI control technologies. There appears to be only minimal mercury release to the environment for CUBs generated using wet FGD control technologies. The amount of mercury leached from CUBs samples tested is significantly lower than the federal drinking water standards and water quality criteria for the protection of aquatic life. 3 figs., 2 tabs.

  6. Management of dry flue gas desulfurization by-products in underground mines. Annual report, October 1994--September 1995

    SciTech Connect (OSTI)

    Chugh, Y.P.; Dutta, D.; Esling, S.

    1995-10-01

    On September 30, 1993, the U.S. Department of Energy-Morgantown Energy Technology Center (DOE-METC) and Southern Illinois University at Carbondale (SIUC) entered into a cooperative research agreement entitled {open_quotes}Management of Dry Flue Gas Desulfurization By-Products in Underground Mines{close_quotes} (DE-FC21-93MC30252). Under the agreement Southern Illinois University at Carbondale will develop and demonstrate several technologies for the placement of coal combustion residues (CCBs) in abandoned coal mines, and will assess the environmental impact of such underground CCB placement. This report describes progress in the following areas: environmental characterization, mix development and geotechnical characterization, material handling and system economics, underground placement, and field demonstration.

  7. Management of dry flue gas desulfurization by-products in underground mines. Quarterly report, October 1--December 31, 1995

    SciTech Connect (OSTI)

    1997-05-01

    On September 30, 1993, the U.S. Department of Energy - Morgantown Energy Technology Center (DOE-METC) and Southern Illinois University at Carbondale (SITJC) entered into a cooperative research agreement entitled {open_quotes}Management of Dry Flue Gas Desulfurization By-Products in Underground Mines{close_quotes} (DE-FC21-93MC-30252). Under the agreement SIUC will develop and demonstrate two technologies for the placement of coal combustion by-products in abandoned underground coal mine workings, and assess the environmental impact of such underground placements. This report discusses the technical progress achieved during the period October 1 - December 31, 1995. Rapid Aging Test columns were placed in operation during the second quarter of 1995, and some preliminary data were acquired during this quarter. These data indicate that the highly caustic pH is initially generated in the pneumatic mix, but that such pH is short lived. The initial pH rapidly declines to the range of 8 to 9. Leachates in this pH range will have little or no effect on environmental concerns. Dedicated sampling equipment was installed in the groundwater monitoring wells at the proposed placement site at the Peabody Number 10 mine. Also, the groundwater monitoring wells were {open_quotes}developed{close_quotes} during the quarter to remove the fines trapped in the sand pack and screen. A new procedure was used in this process, and proved successful. A series of tests concerning the geotechnical characteristics of the pneumatic mixes were conducted. Results show that both moisture content and curing time have a direct effect on the strength of the mixes. These are, of course, the expected general results. The Christmas holidays and the closing of the University during an extended period affected the progress of the program during the quarter. However, the program is essentially on schedule, both technically and fiscally, and any delays will be overcome during the first quarter of 1996.

  8. Contaminant Sources are Known

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

    Sources are Known Historical contaminant sources from liquid discharges and solid waste management units are known. August 1, 2013 Contaminant source map LANL contaminant...

  9. AB 2188: Implementation of the California Solar Rights Act at the Local Level

    Broader source: Energy.gov [DOE]

    This document is intended to provide guidance for implementing the Solar Permitting Efficiency Act (AB 2188), which was enacted in California in 2015, in substantial conformance with the California Solar Permitting Guidebook. This document also includes a stand-alone model ordinance that complies with the requirements of the Solar Rights Act, as amended. The sections of this document are organized to first provide the reader with the statutory requirements of AB 2188 and the existing requirements of the Solar Rights Act, followed by the recommendations from the California Solar Permitting Guidebook for substantial conformance with regard to the permitting requirements for local permitting processes.

  10. Docket No. EERE-2008-BT-STD-0005. RIN 1904-AB57 | Department of Energy

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

    2008-BT-STD-0005. RIN 1904-AB57 Docket No. EERE-2008-BT-STD-0005. RIN 1904-AB57 This memorandum for the record provides a summary of a February 13, 2013 meeting with U.S. Department of Energy staff concerning DOE's proposed rulemaking regarding amended energy conservation standards for Class A external power supplies (EPSs) and new energy conservation standards for non-Class A EPSs and battery chargers. CEA Ex Parte Discussion_02212013.pdf (818.41 KB) More Documents & Publications ISSUANCE

  11. Ab Initio Many-Body Calculations Of Light-Ion Reactions (Conference) |

    Office of Scientific and Technical Information (OSTI)

    SciTech Connect Conference: Ab Initio Many-Body Calculations Of Light-Ion Reactions Citation Details In-Document Search Title: Ab Initio Many-Body Calculations Of Light-Ion Reactions Authors: Romero-Redondo, C ; Navratil, P ; Quaglioni, S ; Hupin, G ; Langhammer, J ; Calci, A ; Roth, R Publication Date: 2013-07-31 OSTI Identifier: 1093413 Report Number(s): LLNL-PROC-642196 DOE Contract Number: W-7405-ENG-48 Resource Type: Conference Resource Relation: Conference: Presented at: Nuclear

  12. Spectroscopic signatures of AA' and AB stacking of chemical vapor deposited bilayer MoS2

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

    Xia, Ming; Li, Bo; Yin, Kuibo; Capellini, Giovanni; Niu, Gang; Gong, Yongji; Zhou, Wu; Ajayan, Pulickel M.; Xie, Ya -Hong

    2015-11-04

    We discuss prominent resonance Raman and photoluminescence spectroscopic differences between AA'and AB stacked bilayer molybdenum disulfide (MoS2) grown by chemical vapor deposition are reported. Bilayer MoS2 islands consisting of the two stacking orders were obtained under identical growth conditions. Also, resonance Raman and photoluminescence spectra of AA' and AB stacked bilayer MoS2 were obtained on Au nanopyramid surfaces under strong plasmon resonance. Both resonance Raman and photoluminescence spectra show distinct features indicating clear differences in interlayer interaction between these two phases. The implication of these findings on device applications based on spin and valley degrees of freedom.

  13. DEVELOPMENT AND VALIDATION OF AN ACID MINE DRAINAGE TREATMENT PROCESS FOR SOURCE WATER

    SciTech Connect (OSTI)

    Lane, Ann

    2015-12-31

    Throughout Northern Appalachia and surrounding regions, hundreds of abandoned mine sites exist which frequently are the source of Acid Mine Drainage (AMD). AMD typically contains metal ions in solution with sulfate ions which have been leached from the mine. These large volumes of water, if treated to a minimum standard, may be of use in Hydraulic Fracturing (HF) or other industrial processes. This project’s focus is to evaluate an AMD water treatment technology for the purpose of providing treated AMD as an alternative source of water for HF operations. The HydroFlex™ technology allows the conversion of a previous environmental liability into an asset while reducing stress on potable water sources. The technology achieves greater than 95% water recovery, while removing sulfate to concentrations below 100 mg/L and common metals (e.g., iron and aluminum) below 1 mg/L. The project is intended to demonstrate the capability of the process to provide AMD as alternative source water for HF operations. The second budget period of the project has been completed during which Battelle conducted two individual test campaigns in the field. The first test campaign demonstrated the ability of the HydroFlex system to remove sulfate to levels below 100 mg/L, meeting the requirements indicated by industry stakeholders for use of the treated AMD as source water. The second test campaign consisted of a series of focused confirmatory tests aimed at gathering additional data to refine the economic projections for the process. Throughout the project, regular communications were held with a group of project stakeholders to ensure alignment of the project objectives with industry requirements. Finally, the process byproduct generated by the HydroFlex process was evaluated for the treatment of produced water against commercial treatment chemicals. It was found that the process byproduct achieved similar results for produced water treatment as the chemicals currently in use. Further

  14. The 1-AB block fields-a giant oil accumulation in Eastern Peru

    SciTech Connect (OSTI)

    Jarvis, H.A.; Lay, V. ); Orosco, C. )

    1993-02-01

    The 1-Ab block fields are located in the northeastern part of Peru. Geologically, the area is the sub-Andean Maranon Basin, a continuation of the Napo Basin from eastern Ecuador. During the 20 years that Occidental has operated Block 1-AB, approximately 11,500 km of seismic data has been recorded and 34 exploratory wells have been drilled, resulting in the discovery of 18 fields, or 53% exploration success. The 1-AB oil accumulation discovered in 1972 is a group of medium to small asymmetric anticlines distributed along six northwest-southeast trending structural alignments: North Capahuari-South Capahuari-Tambo, Carmen-North San Jaacinto and Bartra. This concentration of productive structures in a relative small area is unique within the Maranon basin. The controlling factors include exceptional pre-Cretaceous uplifting and the presence of very good to excellent Cretaceous sandstones reservoirs. The two major Cretaceous producing zones, the Chonta and Vivian sandstones, have been defined within the Coniacian and Campanian ages respectively. The Chonta sands are related to shelfal deposition across Block 1-AB, represented by strand plain and barrier island sediments. The Vivian formation is a massive fluvial sandstone covering all of the Maranon basin and ranging in thickness between 40 and 200 feet. After oil was accumulated, fresh water influxes into the reservoirs of the northern and eastern fields caused oil biodegradation and salinity variation of the reservoir waters, depending upon the intensity of biodegradation. Oil remigration also has been documented for the South Huayari field.

  15. RESEARCH and RELATED BUDGET - SECTION A-B, BUDGET PERIOD 1

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

    SECTION A-B, BUDGET PERIOD 1 *Budget Type: Project: *Name of Organization: *Budget Period: 1 Prefix *Last Name Suffix *Project Role Base Salary $ Cal. Months Acad. Months Sum. Months *Requested Salary ($) *Fringe Benefits ($) *Funds Requested ($) 1. Principal Investigator - $ - $ - $ - $ 2. - $ - $ - $ - $ 3. - $ - $ - $ - $ 4. - $ - $ - $ - $ 5. - $ - $ - $ - $ 6. - $ - $ - $ - $ 7. - $ - $ - $ - $ 8. - $ - $ - $ - $ 9. - $ - $ Attachments: Yes Cal. Months Acad. Months Sum. Months *Requested

  16. Method for the separation of high impact polystyrene (HIPS) and acrylonitrile butadiene styrene (ABS) plastics

    DOE Patents [OSTI]

    Jody, Bassam J.; Arman, Bayram; Karvelas, Dimitrios E.; Pomykala, Jr., Joseph A.; Daniels, Edward J.

    1997-01-01

    An improved method is provided for separating acrylonitrile butadiene styrene (ABS) and high impact polystyrene (HIPS) plastics from each other. The ABS and HIPS plastics are shredded to provide a selected particle size. The shredded particles of the ABS and HIPS plastics are applied to a solution having a solution density in a predefined range between 1.055 gm/cm.sup.3 and 1.07 gm/cm.sup.3, a predefined surface tension in a range between 22 dynes/cm to 40 dynes/cm and a pH in the range of 1.77 and 2.05. In accordance with a feature of the invention, the novel method is provided for separating ABS and HIPS, two solid thermoplastics which have similar densities by selectively modifying the effective density of the HIPS using a binary solution with the appropriate properties, such as pH, density and surface tension, such as a solution of acetic acid and water or a quaternary solution having the appropriate density, surface tension, and pH.

  17. Ab Initio Many-Body Calculation of the 7Be(p,g)8B Radiative Capture...

    Office of Scientific and Technical Information (OSTI)

    Ab Initio Many-Body Calculation of the 7Be(p,g)8B Radiative Capture Citation Details In-Document Search Title: Ab Initio Many-Body Calculation of the 7Be(p,g)8B Radiative Capture ...

  18. RELATIVE ECONOMIC INCENTIVES FOR HYDROGEN FROM NUCLEAR, RENEWABLE, AND FOSSIL ENERGY SOURCES

    SciTech Connect (OSTI)

    Gorensek, M; Charles W. Forsberg, C

    2008-08-04

    The specific hydrogen market determines the value of hydrogen from different sources. Each hydrogen production technology has its own distinct characteristics. For example, steam reforming of natural gas produces only hydrogen. In contrast, nuclear and solar hydrogen production facilities produce hydrogen together with oxygen as a by-product or co-product. For a user who needs both oxygen and hydrogen, the value of hydrogen from nuclear and solar plants is higher than that from a fossil plant because 'free' oxygen is produced as a by-product. Six factors that impact the relative economics of fossil, nuclear, and solar hydrogen production to the customer are identified: oxygen by-product, avoidance of carbon dioxide emissions, hydrogen transport costs, storage costs, availability of low-cost heat, and institutional factors. These factors imply that different hydrogen production technologies will be competitive in different markets and that the first markets for nuclear and solar hydrogen will be those markets in which they have a unique competitive advantage. These secondary economic factors are described and quantified in terms of dollars per kilogram of hydrogen.

  19. Relative Economic Incentives for Hydrogen from Nuclear, Renewable, and Fossil Energy Sources

    SciTech Connect (OSTI)

    Forsberg, Charles W [ORNL] [ORNL; Gorensek, M. B. [Savannah River National Laboratory (SRNL)] [Savannah River National Laboratory (SRNL)

    2007-01-01

    The specific hydrogen market determines the value of hydrogen from different sources. Each hydrogen production technology has its own distinct characteristics. For example, steam reforming of natural gas produces only hydrogen. In contrast, nuclear and solar hydrogen production facilities produce hydrogen together with oxygen as a by-product or co-product. For a user who needs both oxygen and hydrogen, the value of hydrogen from nuclear and solar plants is higher than that from a fossil plant because 'free' oxygen is produced as a by-product. Six factors that impact the relative economics of fossil, nuclear, and solar hydrogen production to the customer are identified: oxygen by-product, avoidance of carbon dioxide emissions, hydrogen transport costs, storage costs, availability of low-cost heat, and institutional factors. These factors imply that different hydrogen production technologies will be competitive in different markets and that the first markets for nuclear and solar hydrogen will be those markets in which they have a unique competitive advantage. These secondary economic factors are described and quantified in terms of dollars per kilogram of hydrogen.

  20. Production development and utilization of Zimmer Station wet FGD by-products. Final report. Volume 1, Executive summary

    SciTech Connect (OSTI)

    Smith, Kevin; Beeghly, Joel H.

    2000-11-30

    About 30 electric utility units with a combined total of 15,000 MW utilize magnesium enhanced lime flue gas desulfurization (FGD) systems. A disadvantage of this and other inhibited or natural oxidation wet FGD systems is the capital and operating cost associated with landfill disposal of the calcium sulfite based solids. Fixation to stabilize the solids for compaction in a landfill also consumes fly ash that otherwise may be marketable. This Executive Summary describes efforts to dewater the magnesium hydroxide and gypsum slurries and then process the solids into a more user friendly and higher value form. To eliminate the cost of solids disposal in its first generation Thiosorbic® system, the Dravo Lime Company developed the ThioClear® process that utilizes a magnesium based absorber liquor to remove S02 with minimal suspended solids. Magnesium enhanced lime is added to an oxidized bleed stream of thickener overflow (TOF) to produce magnesium hydroxide [Mg(OH)2] and gypsum (CaS04 • 2H20), as by-products. This process was demonstrated at the 3 to 5 MW closed loop FGD system pilot plant at the Miami Fort Station of Cinergy, near Cincinnati, Ohio with the help of OCDO Grant Agreement CDO/D-91-6. A similar process strictly for'recovery and reuse of Mg(OH)2 began operation at the Zimmer Station of Cinergy in late 1994 that can produce 900 pounds of Mg(OH)2 per hour and 2,600 pounds of gypsum per hour. This by-product plant, called the Zimmer Slipstream Magnesium Hydroxide Recovery Project Demonstration, was conducted with the help of OCDO Grant Agreement CDO/D-921-004. Full scale ThioClear® plants began operating in 1997 at the 130 MW Applied Energy Services plant, in Monaca, PA, and in year 2000 at the 1,330 MW Allegheny Energy Pleasants Station at St. Marys, WV.

  1. Re-Use of Clean Coal Technology By-Products in the Construction of Low Permeability Liners. Final report

    SciTech Connect (OSTI)

    Wolfe, William E.; Butalia, Tarunjit S.; Walker, Harold; Mitsch, William

    2005-07-15

    This final project report presents the results of a research program conducted at The Ohio State University from January 3, 2000 to June 30, 2005 to investigate the long-term use of stabilized flue gas desulfurization (FGD) materials in the construction of low permeability liners for ponds and wetlands. The objective of the research program was to establish long-term field-verified time-dependent relationships for the performance of liners constructed from stabilized FGD byproducts generated in Ohio. The project objective was accomplished with a coordinated program of testing and analyzing small-scale laboratory specimens under controlled conditions, mediumscale wetland experiments, and monitoring of a full-scale FGD-lined pond facility. Although the specific uses directly addressed by this report include liners for surface impoundments, the results presented in this study are also useful in other applications especially in the design of daily covers and liners for landfills, seepage cutoff walls and trenches, and for nutrient retention and pollution mitigation wetlands. The small-scale laboratory tests and monitoring of the full-scale FGD lined facility (capacity of one million gallons) shows that stabilized FGD materials can be used as low permeability liners in the construction of water and manure holding ponds. Actual long-term permeability coefficients in the range of 10-7 cm/sec (3 x 10-9 ft/sec) can be obtained in the field by compacting lime and fly ash enriched stabilized FGD materials. Leachate from the FGD material meets Ohios non-toxic criteria for coal combustion by-products, and for most potential contaminants the national primary and secondary drinking water standards are also met. The low permeability non-toxic FGD material investigated in this study poses very minimal risks, if any, for groundwater contamination. The FGD wetland experiments indicated no significant differences in phosphorus retention between the clay and FGD

  2. A Zinc-Finger-Family Transcription Factor, AbVf19, Is Required for the Induction of a Gene Subset Important for Virulence in Alternaria brassicicola

    SciTech Connect (OSTI)

    Srivastava, Akhil; Ohm, Robin A.; Oxiles, Lindsay; Brooks, Fred; Lawrence, Christopher B.; Grigoriev, Igor V.; Cho, Yangrae

    2011-10-26

    Alternaria brassicicola is a successful saprophyte and necrotrophic plant pathogen with a broad host range within the family Brassicaceae. It produces secondary metabolites that marginally affect virulence. Cell wall degrading enzymes (CDWE) have been considered important for pathogenesis but none of them individually have been identified as significant virulence factors in A. brassicicola. In this study, knockout mutants of a gene, AbVf19, were created and produced considerably smaller lesions than the wild type on inoculated host plants. The presence of tandem zinc-finger domains in the predicted amino acid sequence and nuclear localization of AbVf19- reporter protein suggested that it was a transcription factor. Gene expression comparisons using RNA-seq identified 74 genes being downregulated in the mutant during a late stage of infection. Among the 74 downregulated genes, 28 were putative CWDE genes. These were hydrolytic enzyme genes that composed a small fraction of genes within each family of cellulases, pectinases, cutinases, and proteinases. The mutants grew slower than the wild type on an axenic medium with pectin as a major carbon source. This study demonstrated the existence and the importance of a transcription factor that regulates a suite of genes that are important for decomposing and utilizing plant material during the late stage of plant infection.

  3. Management of dry flue gas desulfurization by-products in underground mines. Quarterly report, October--December 1994

    SciTech Connect (OSTI)

    Chugh, Y.; Dutta, D.; Esling, S.; Ghafoori, N.; Paul, B.; Sevim, H.; Thomasson, E.

    1995-01-01

    On September 30, 1993, the US Department of Energy, Morgantown Energy Technology Center and Southern Illinois University at Carbondale (SIUC) entered into a cooperative agreement entitled ``Management of Dry Flue Gas Desulfurization By-Products in Underground Mines`` (DE-FC21-93MC30252). Under the agreement, Southern Illinois University at Carbondale will develop and demonstrate several technologies for the placement of coal combustion residues in abandoned coal mines, and will assess the environmental impact of such underground residues placement. The major event during the quarter was the demonstration of the SEEC, Inc. technology for loading and transporting coal combustion residues in the SEEC developed Collapsible Intermodal Containers (CIC). The demonstration was held on November 17, 1994, at the Illinois Power Company Baldwin power plant, and was attended by about eighty (80) invited guest. Also during the quarter meetings were held with Peabody Coal Company officials to finalize the area in the Peabody No. 10 mine to be used for the placement of coal combustion residues. Work under the Materials Handling and Systems Economics area continued, particularly in refining the costs and systems configuration and in economic evaluation of various systems using equipment leasing rather than equipment purchases. Likewise, work progressed on residues characterization, with some preparations being made for long-term testing.

  4. Treatability study on the use of by-product sulfur in Kazakhstan for the stabilization of hazardous and radioactive wastes

    SciTech Connect (OSTI)

    Kalb, P.D.; Milian, L.W.; Yim, S.P.; Dyer, R.S.; Michaud, W.R.

    1997-12-01

    The Republic of Kazakhstan generates significant quantities of excess elemental sulfur from the production and refining of petroleum reserves. In addition, the country also produces hazardous, and radioactive wastes which require treatment/stabilization. In an effort to find secondary uses for the elemental sulfur, and simultaneously produce a material which could be used to encapsulate, and reduce the dispersion of harmful contaminants into the environment, BNL evaluated the use of the sulfur polymer cement (SPC) produced from by-product sulfur in Kazakhstan. This thermoplastic binder material forms a durable waste form with low leaching properties and is compatible with a wide range of waste types. Several hundred kilograms of Kazakhstan sulfur were shipped to the US and converted to SPC (by reaction with 5 wt% organic modifiers) for use in this study. A phosphogypsum sand waste generated in Kazakhstan during the purification of phosphate fertilizer was selected for treatment. Waste loadings of 40 wt% were easily achieved. Waste form performance testing included compressive strength, water immersion, and Accelerated Leach Testing.

  5. Treatability study on the use of by-product sulfur in Kazakhstan for the stabilization of hazardous and radioactive wastes

    SciTech Connect (OSTI)

    Yim, Sung Paal; Kalb, P.D.; Milian, L.W.

    1997-08-01

    The Republic of Kazakhstan generates significant quantities of excess sulfur from the production and refining of petroleum reserves. In addition, the country also produces hazardous, and radioactive wastes which require treatment/stabilization. In an effort to find secondary uses for the elemental sulfur, and simultaneously produce a material which could be used to encapsulate, and reduce the dispersion of harmful contaminants into the environment, BNL evaluated the use of the sulfur polymer cement (SPC) produced from by-product sulfur in Kazakhstan. This thermoplastic binder material forms a durable waste form with low leaching properties and is compatible with a wide range of waste types. Several hundred kilograms of Kazakhstan sulfur were shipped to the U.S. and converted to SPC (by reaction with 5 wt% organic modifiers) for use in this study. A phosphogypsum sand waste generated in Kazakhstan during the purification of phosphate fertilizer was selected for treatment. Waste loading of 40 wt% were easily achieved. Waste form performance testing included compressive strength, water immersion, and Accelerated Leach Testing. 14 refs., 7 figs., 6 tabs.

  6. Breckinridge Project, initial effort. Report VII, Volume I. Introduction and background. [Storage losses of 28 products and by-products

    SciTech Connect (OSTI)

    none,

    1982-01-01

    The proposed plant site consists of 1594 acres along the Ohio River in Breckinridge County, Kentucky. An option to purchase the site has been secured on behalf of the Breckinridge Project by the Commonwealth of Kentucky Department of Energy. Figure 1 is an area map locating the site with respect to area cities and towns. The nearest communities to the site are the hamlet of Stephensport, Kentucky, about 3-1/2 miles northeast and Cloverport, Kentucky, which is 6 miles to the southwest. The nearest major cities are Owensboro, Kentucky, 45 road miles to the west and Louisville, Kentucky, 65 miles to the northeast. The Breckinridge facility will convert about 23,000 TPD of run-of-mine (ROM) coal into a nominal 50,000 BPD of hydrocarbon liquids including a significant quantity of transportation fuels. Major products refined for marketing include pipeline gas, propane, butane, 105 RONC gasoline reformate, middle distillate and heavy distillate. By-products include sulfur, anhydrous ammonia, and commercial-grade phenol. Care is being taken to minimize the impact of the facility operations on the environment. Water and wastewater treatment systems have been designed to achieve zero discharge. Waste solids will be disposed of in a carefully designed and well-monitored landfill operation. Also, special design features have been included to minimize air emissions.

  7. Contaminant Sources are Known

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

    Contaminant Sources are Known Contaminant Sources are Known Historical contaminant sources from liquid discharges and solid waste management units are known. August 1, 2013 Contaminant source map LANL contaminant source map RELATED IMAGES http://farm4.staticflickr.com/3789/9631743884_4caeb970f9_t.jpg Enlarge

  8. Poly(ethylene oxide)-Assisted Macromolecular Self-Assembly of Lignin in ABS Matrix for Sustainable Composite Applications

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

    Akato, Kokouvi M.; Tran, Chau D.; Chen, Jihua; Naskar, Amit K.

    2015-11-05

    Here we report the compatibilization of biomass-derived lignin polymer in acrylonitrile butadiene styrene (ABS) thermoplastic matrix without loss of mechanical properties via poly(ethylene oxide) (PEO)-mediated macromolecular self-assembly. ABS was blended with lignin in different concentrations, and blends with 10 wt % PEO (relative to lignin) were prepared. The relative tensile strength improved slightly at low lignin content but diminished rapidly as the lignin content was increased. However, the inclusion of PEO as an interfacial adhesion promoter helped avoid deleterious effects. Dynamic mechanical analysis showed that PEO plasticized the hard phase and thus lowered the activation energy (Ea) for its relaxationmore » but caused stiffening of the soft phase and increased its Ea. Microscopy revealed that incorporating lignin in ABS led to the statistical dispersion of discrete lignin domains (300–1000 nm) which, after PEO addition, were reduced to smaller interconnected particles (200–500 nm). The lignin-extended partially renewable ABS resins showed shear-thinning behavior and reduced viscosity compared to neat ABS. The preferred lignin-loaded compositions reinforced with 20 vol % chopped carbon fibers exhibited mechanical performances (77–80 MPa) equivalent to those of reinforced ABS materials reportedly used in 3D printing applications. In conclusion, this approach could lower the cost of ABS while reducing its carbon footprint.« less

  9. Poly(ethylene oxide)-Assisted Macromolecular Self-Assembly of Lignin in ABS Matrix for Sustainable Composite Applications

    SciTech Connect (OSTI)

    Akato, Kokouvi M.; Tran, Chau D.; Chen, Jihua; Naskar, Amit K.

    2015-11-05

    Here we report the compatibilization of biomass-derived lignin polymer in acrylonitrile butadiene styrene (ABS) thermoplastic matrix without loss of mechanical properties via poly(ethylene oxide) (PEO)-mediated macromolecular self-assembly. ABS was blended with lignin in different concentrations, and blends with 10 wt % PEO (relative to lignin) were prepared. The relative tensile strength improved slightly at low lignin content but diminished rapidly as the lignin content was increased. However, the inclusion of PEO as an interfacial adhesion promoter helped avoid deleterious effects. Dynamic mechanical analysis showed that PEO plasticized the hard phase and thus lowered the activation energy (Ea) for its relaxation but caused stiffening of the soft phase and increased its Ea. Microscopy revealed that incorporating lignin in ABS led to the statistical dispersion of discrete lignin domains (300–1000 nm) which, after PEO addition, were reduced to smaller interconnected particles (200–500 nm). The lignin-extended partially renewable ABS resins showed shear-thinning behavior and reduced viscosity compared to neat ABS. The preferred lignin-loaded compositions reinforced with 20 vol % chopped carbon fibers exhibited mechanical performances (77–80 MPa) equivalent to those of reinforced ABS materials reportedly used in 3D printing applications. In conclusion, this approach could lower the cost of ABS while reducing its carbon footprint.

  10. Refinery Integration of By-Products from Coal-Derived Jet Fuels

    SciTech Connect (OSTI)

    Caroline Clifford; Andre Boehman; Chunshan Song; Bruce Miller; Gareth Mitchell

    2008-03-31

    The final report summarizes the accomplishments toward project goals during length of the project. The goal of this project was to integrate coal into a refinery in order to produce coal-based jet fuel, with the major goal to examine the products other than jet fuel. These products are in the gasoline, diesel and fuel oil range and result from coal-based jet fuel production from an Air Force funded program. The main goal of Task 1 was the production of coal-based jet fuel and other products that would need to be utilized in other fuels or for non-fuel sources, using known refining technology. The gasoline, diesel fuel, and fuel oil were tested in other aspects of the project. Light cycle oil (LCO) and refined chemical oil (RCO) were blended, hydrotreated to removed sulfur, and hydrogenated, then fractionated in the original production of jet fuel. Two main approaches, taken during the project period, varied where the fractionation took place, in order to preserve the life of catalysts used, which includes (1) fractionation of the hydrotreated blend to remove sulfur and nitrogen, followed by a hydrogenation step of the lighter fraction, and (2) fractionation of the LCO and RCO before any hydrotreatment. Task 2 involved assessment of the impact of refinery integration of JP-900 production on gasoline and diesel fuel. Fuel properties, ignition characteristics and engine combustion of model fuels and fuel samples from pilot-scale production runs were characterized. The model fuels used to represent the coal-based fuel streams were blended into full-boiling range fuels to simulate the mixing of fuel streams within the refinery to create potential 'finished' fuels. The representative compounds of the coal-based gasoline were cyclohexane and methyl cyclohexane, and for the coal-base diesel fuel they were fluorine and phenanthrene. Both the octane number (ON) of the coal-based gasoline and the cetane number (CN) of the coal-based diesel were low, relative to commercial

  11. Light-Source Facilities

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

    Safety Light Source Facilities America ALS - Advanced Light Source, USA APS - Advanced Photon Source, USA CAMD - Center for Advanced Microstructures & Devices, USA CHESS - Cornell High Energy Synchrotron Source, USA CLS - Canadian Light Source, Canada CTST - UCSB Center for Terahertz Science and Technology, USA DFELL - Duke Free Electron Laser Laboratory, USA Jlab - Jefferson Lab, USA LCLS - Linear Coherent Light Source, USA LNLS - Laboratorio Nacional de Luz Sincrotron, Brazil NSLS -

  12. Electrolytes for power sources

    DOE Patents [OSTI]

    Doddapaneni, Narayan; Ingersoll, David

    1995-01-01

    Electrolytes for power sources, particularly alkaline and acidic power sources, comprising benzene polysulfonic acids and benzene polyphosphonic acids or salts of such acids.

  13. Electrolytes for power sources

    DOE Patents [OSTI]

    Doddapaneni, N.; Ingersoll, D.

    1995-01-03

    Electrolytes are disclosed for power sources, particularly alkaline and acidic power sources, comprising benzene polysulfonic acids and benzene polyphosphonic acids or salts of such acids. 7 figures.

  14. Source Selection Guide

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

    source selection in accordance with Part 15 of the Federal Acquisition Regulation (FAR). ... CERTIFICATIONS Although there is no regulation requiring each Source Evaluation Board ...

  15. Treatment of metal-laden hazardous wastes with advanced clean coal technology by-products. Quarterly report, November 1994--February 1995

    SciTech Connect (OSTI)

    1995-03-01

    This second quarterly report describes work during the second three months of the University of Pittsburgh`s (Pitt`s) project on the {open_quotes}Treatment of Metal-Laden Hazardous Wastes with Advanced Clean Coal Technology By-Products.{close_quotes} Participating with Pitt on this project are Dravo Lime Company (DLC), Mill Service, Inc. (MSI) and the Center for Hazardous Materials Research (CHMR). The report describes the activities of the project team during the reporting period. The principal work has focussed upon the acquisition of by-product samples and their initial analysis. Other efforts during the second quarter have been directed toward identifying the first hazardous waste samples and preparing for their treatment and analysis. Relatively little data has yet been collected. Major presentation of technical details and data will appear for the first time in the third quarterly report. The activity on the project during the second quarter of Phase One, as presented in the following sections, has fallen into seven areas: (1) Acquiring by-products, (2) Analyzing by-products, (3) Identifying, analyzing and treating suitable hazardous wastes, (4) Carrying out the quality assurance/quality control program, (5) Developing background, and (6) Initiating public relations

  16. Preliminary evaluation of the use of the greater confinement disposal concept for the disposal of Fernald 11e(2) byproduct material at the Nevada Test Site

    SciTech Connect (OSTI)

    Cochran, J.R.; Brown, T.J.; Stockman, H.W.; Gallegos, D.P.; Conrad, S.H.; Price, L.L. |

    1997-09-01

    This report documents a preliminary evaluation of the ability of the greater confinement disposal boreholes at the Nevada Test Site to provide long-term isolation of radionuclides from the disposal of vitrified byproduct material. The byproduct material is essentially concentrated residue from processing uranium ore that contains a complex mixture of radionuclides, many of which are long-lived and present in concentrations greater than 100,000 picoCuries per gram. This material has been stored in three silos at the fernald Environmental Management Project since the early 1950s and will be vitrified into 6,000 yd{sup 3} (4,580 m{sup 3}) of glass gems prior to disposal. This report documents Sandia National Laboratories` preliminary evaluation for disposal of the byproduct material and includes: the selection of quantitative performance objectives; a conceptual model of the disposal system and the waste; results of the modeling; identified issues, and activities necessary to complete a full performance assessment.

  17. Bridging a gap between continuum-QCD and ab initio predictions of hadron observables

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

    Binosi, Daniele; Chang, Lei; Papavassiliou, Joannis; Roberts, Craig D.

    2015-01-23

    Within contemporary hadron physics there are two common methods for determining the momentum-dependence of the interaction between quarks: the top-down approach, which works toward an ab initio computation of the interaction via direct analysis of the gauge-sector gap equations; and the bottom-up scheme, which aims to infer the interaction by fitting data within a well-defined truncation of those equations in the matter sector that are relevant to bound-state properties. We unite these two approaches by demonstrating that the renormalisation-group-invariant running-interaction predicted by contemporary analyses of QCDs gauge sector coincides with that required in order to describe ground-state hadron observables usingmorea nonperturbative truncation of QCDs DysonSchwinger equations in the matter sector. This bridges a gap that had lain between nonperturbative continuum-QCD and the ab initio prediction of bound-state properties.less

  18. Ab initio molecular dynamics simulation of liquid water by quantum Monte Carlo

    SciTech Connect (OSTI)

    Zen, Andrea; Luo, Ye Mazzola, Guglielmo Sorella, Sandro; Guidoni, Leonardo

    2015-04-14

    Although liquid water is ubiquitous in chemical reactions at roots of life and climate on the earth, the prediction of its properties by high-level ab initio molecular dynamics simulations still represents a formidable task for quantum chemistry. In this article, we present a room temperature simulation of liquid water based on the potential energy surface obtained by a many-body wave function through quantum Monte Carlo (QMC) methods. The simulated properties are in good agreement with recent neutron scattering and X-ray experiments, particularly concerning the position of the oxygen-oxygen peak in the radial distribution function, at variance of previous density functional theory attempts. Given the excellent performances of QMC on large scale supercomputers, this work opens new perspectives for predictive and reliable ab initio simulations of complex chemical systems.

  19. Ab Initio Many-Body Calculations Of Nucleon-Nucleus Scattering

    SciTech Connect (OSTI)

    Quaglioni, S; Navratil, P

    2008-12-17

    We develop a new ab initio many-body approach capable of describing simultaneously both bound and scattering states in light nuclei, by combining the resonating-group method with the use of realistic interactions, and a microscopic and consistent description of the nucleon clusters. This approach preserves translational symmetry and Pauli principle. We outline technical details and present phase shift results for neutron scattering on {sup 3}H, {sup 4}He and {sup 10}Be and proton scattering on {sup 3,4}He, using realistic nucleon-nucleon (NN) potentials. Our A = 4 scattering results are compared to earlier ab initio calculations. We find that the CD-Bonn NN potential in particular provides an excellent description of nucleon-{sup 4}He S-wave phase shifts. We demonstrate that a proper treatment of the coupling to the n-{sup 10}Be continuum is successful in explaining the parity-inverted ground state in {sup 11}Be.

  20. Preparation and immunoreactivity of high specific activity indium-111-DTPA labeled monoclonal antibody (MoAb) using ultrapure indium-111

    SciTech Connect (OSTI)

    Zoghbi, S.S.; Neumann, R.D.; Gottschalk, A.

    1986-10-01

    The preparation of high-specific activity /sup 111/In-DTPA-MoAb without increasing the number of DTPA molecules per Ab was investigated. Instant thin layer chromatography was used to assay the relationship between labeling efficiencies and specific activities. With ultrapurified /sup 111/In, the specific activity of the radiolabeled MoAb approached the expected theoretic maximum of 100 muCi/microgram. The bioactivity of such high-specific activity preparation showed no degradation as measured by in vitro cell binding assay.

  1. Fungal-specific transcription factor AbPf2 activates pathogenicity in Alternaria brassicicola

    SciTech Connect (OSTI)

    Cho, Yangrae; Ohm, Robin A.; Grigoriev, Igor V.; Srivastava, Akhil

    2012-12-03

    Alternaria brassicicola is a successful saprophyte and necrotrophic plant pathogen. To identify molecular determinants of pathogenicity, we created non-pathogenic mutants of a transcription factor-encoding gene, AbPf2. The frequency and timing of germination and appressorium formation on host plants were similar between the non-pathogenic abpf2 mutants and wild-type A. brassicicola. The mutants were also similar in vitro to wild-type A. brassicicola in terms of vegetative growth, conidium production, and responses to a phytoalexin, reactive oxygen species and osmolites. The hyphae of the mutants grew slowly but did not cause disease symptoms on the surface of host plants. Transcripts of the AbPf2 gene increased exponentially soon after wild-type conidia contacted their host plants . A small amount of AbPf2 protein, as monitored using GFP fusions, was present in young, mature conidia. The protein level decreased during saprophytic growth, but increased and was located primarily in fungal nuclei during pathogenesis. Levels of the proteins and transcripts sharply decreased following colonization of host tissues beyond the initial infection site. When expression of the transcription factor was induced in the wild-type during early pathogenesis, 106 fungal genes were also induced in the wild-type but not in the abpf2 mutants. Notably, 33 of the 106 genes encoded secreted proteins, including eight putative effector proteins. Plants inoculated with abpf2 mutants expressed higher levels of genes associated with photosynthesis, the pentose phosphate pathway and primary metabolism, but lower levels of defense-related genes. Our results suggest that AbPf2 is an important regulator of pathogenesis, but does not affect other cellular processes in A. brassicicola.

  2. Effcient Shared-array Accesses in Ab Initio Nuclear Structure Calculations

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

    on Multicore Architectures | Argonne Leadership Computing Facility Effcient Shared-array Accesses in Ab Initio Nuclear Structure Calculations on Multicore Architectures Authors: Srinivasa, A., Sosonkina, M., Maris, P., Vary, J.P. With the increase in the processing core counts on modern computing platforms, the main memory accesses present a considerable execution bottleneck, leading to poor scalability in multithreaded applications. Even when the memory is physically divided into separate

  3. A Data Management System for Ab-initio Nuclear Physics Applications |

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

    Argonne Leadership Computing Facility A Data Management System for Ab-initio Nuclear Physics Applications Authors: Liu, F., Mundhe, R., Sosonkina, M., Cockrell, C., Aronnax, M., Maris, P., Vary, J.P. Reproducible Research lies at the very core of the scientific method: an experiment is reproducible if it can be replicated by researchers independent from those that conducted it in the first place. Provenance is an emerging concept in computational sciences. In this work, provenance is

  4. The RCK Domain of the KtrAB K+ Transporter: Multiple Conformations of an Octameric Ring

    SciTech Connect (OSTI)

    Albright,R.; Vazquez Ibar, J.; Kim, C.; Gruner, S.; Morais-Cabral, J.

    2006-01-01

    The KtrAB ion transporter is a complex of the KtrB membrane protein and KtrA, an RCK domain. RCK domains regulate eukaryotic and prokaryotic membrane proteins involved in K{sup +} transport. Conflicting functional models have proposed two different oligomeric arrangements for RCK domains, tetramer versus octamer. Our results for the KtrAB RCK domain clearly show an octamer in solution and in the crystal. We determined the structure of this protein in three different octameric ring conformations that resemble the RCK-domain octamer observed in the MthK potassium channel but show striking differences in size and symmetry. We present experimental evidence for the association between one RCK octameric ring and two KtrB membrane proteins. These results provide insights into the quaternary organization of the KtrAB transporter and its mechanism of activation and show that the RCK-domain octameric ring model is generally applicable to other ion-transport systems.

  5. Accelerating ab initio path integral molecular dynamics with multilevel sampling of potential surface

    SciTech Connect (OSTI)

    Geng, Hua Y.

    2015-02-15

    A multilevel approach to sample the potential energy surface in a path integral formalism is proposed. The purpose is to reduce the required number of ab initio evaluations of energy and forces in ab initio path integral molecular dynamics (AI-PIMD) simulation, without compromising the overall accuracy. To validate the method, the internal energy and free energy of an Einstein crystal are calculated and compared with the analytical solutions. As a preliminary application, we assess the performance of the method in a realistic model—the FCC phase of dense atomic hydrogen, in which the calculated result shows that the acceleration rate is about 3 to 4-fold for a two-level implementation, and can be increased up to 10 times if extrapolation is used. With only 16 beads used for the ab initio potential sampling, this method gives a well converged internal energy. The residual error in pressure is just about 3 GPa, whereas it is about 20 GPa for a plain AI-PIMD calculation with the same number of beads. The vibrational free energy of the FCC phase of dense hydrogen at 300 K is also calculated with an AI-PIMD thermodynamic integration method, which gives a result of about 0.51 eV/proton at a density of r{sub s}=0.912.

  6. Ab initio molecular dynamics simulation of pressure-induced phase transformation of BeO

    SciTech Connect (OSTI)

    Xiao, H. Y.; Duan, G.; Zu, X. T.; Weber, W. J.

    2011-05-05

    Ab initio molecular dynamics (MD) method has been used to study high pressure-induced phase transformation in BeO based on the local density approximation (LDA) and the generalized gradient approximation (GGA). Both methods show that the wurtzite (WZ) and zinc blende (ZB) BeO transforms to the rocksalt (RS) structure smoothly at high pressure. The transition pressures obtained from the LDA method are about 40 GPa larger than the GGA result for both WZ ? RS and ZB ? RS phase transformations, and the phase transformation mechanisms revealed by the LDA and GGA methods are different. For WZ ? RS phase transformations both mechanisms obtained from the LDA and GGA methods are not comparable to the previous ab initio MD simulations of WZ BeO at 700 GPa based on the GGA method. It is suggested that the phase transformation mechanisms of BeO revealed by the ab initio MD simulations are affected remarkably by the exchangecorrelation functional employed and the way of applying pressure.

  7. RESOLVED NEAR-INFRARED SPECTROSCOPY OF WISE J104915.57-531906.1AB: A FLUX-REVERSAL BINARY AT THE L DWARF/T DWARF TRANSITION

    SciTech Connect (OSTI)

    Burgasser, Adam J.; Sheppard, Scott S.; Luhman, K. L.

    2013-08-01

    We report resolved near-infrared spectroscopy and photometry of the recently identified brown dwarf binary WISE J104915.57-531906.1AB, located 2.02 {+-} 0.15 pc from the Sun. Low-resolution spectral data from Magellan/FIRE and IRTF/SpeX reveal strong H{sub 2}O and CO absorption features in the spectra of both components, while the secondary also exhibits weak CH{sub 4} absorption at 1.6 {mu}m and 2.2 {mu}m. Spectral indices and comparison to low-resolution spectral standards indicate component types of L7.5 and T0.5 {+-} 1, the former consistent with the optical classification of the primary. Both sources also have unusually red spectral energy distributions for their spectral types, which we attribute to enhanced condensate opacity (thick clouds). Relative photometry reveals a flux reversal between the J and K bands, with the T dwarf component being brighter in the 0.95-1.3 {mu}m region ({Delta}J = -0.31 {+-} 0.05). As with other L/T transition binaries, this reversal likely reflects the depletion of condensate opacity in the T dwarf, with the contrast enhanced by the thick clouds present in the photosphere of the L dwarf primary. The 1 {mu}m flux from the T dwarf most likely emerges from gaps in its cloud layer, as suggested by the significant optical variability detected from this source by Gillon et al. Component mass measurements of the WISE J1049-5319AB system through astrometric and component radial velocity monitoring may resolve the current debate as to whether the loss of photospheric condensate clouds at the L dwarf/T dwarf boundary is a slow or rapid process, a conceivable endeavor given its proximity, brightness, small separation (3.1 {+-} 0.3 AU), and reasonable orbital period (20-30 yr)

  8. Management of dry flue gas desulfurization by-products in underground mines. Annual report, October 1993--September 1994

    SciTech Connect (OSTI)

    Chugh, Y.P.; Dutta, D.; Esling, S.; Ghafoori, N.; Paul, B.; Sevim, H.; Thomasson, E.

    1994-10-01

    Preliminary environmental risk assessment on the FGD by-products to be placed underground is virtually complete. The initial mixes for pneumatic and hydraulic placement have been selected and are being subject to TCLP, ASTM, and modified SLP shake tests as well as ASTM column leaching. Results of these analyses show that the individual coal combustion residues, and the residues mixes, are non-hazardous in character. Based on available information, including well logs obtained from Peabody Coal Company, a detailed study of the geology of the placement site was completed. The study shows that the disposal site in the abandoned underground mine workings at depths of between 325 and 375 feet are well below potable groundwater resources. This, coupled with the benign nature of the residues and residues mixtures, should alleviate any concern that the underground placement will have adverse effects on groundwater resources. Seven convergence stations were installed in the proposed underground placement area of the Peabody Coal Company No. 10 mine. Several sets of convergence data were obtained from the stations. A study of materials handling and transportation of coal combustion residues from the electric power plant to the injection site has been made. The study evaluated the economics of the transportation of coal combustion residues by pneumatic trucks, by pressure differential rail cars, and by SEEC, Inc. collapsible intermodal containers (CICs) for different annual handling rates and transport distances. The preliminary physico-chemical characteristics and engineering properties of various FBC fly ash-spent bed mixes have been determined, and long-term studies of these properties are continuing.

  9. Management of dry flue gas desulfurization by-products in underground mines. Quarterly report, January--March 1995

    SciTech Connect (OSTI)

    Chugh, Y.; Dutta, D.; Esling, S.

    1995-04-01

    On September 30, 1993, the U.S. Department of Energy, Morgantown Energy Technology Center and Southern Illinois University at Carbondale (SIUC) entered into a cooperative research agreement entitled {open_quotes}Management of Dry Flue Gas Desulfurization By-Products in Underground Mines{close_quotes} (DE-FC21-93MC 30252). Under the agreement Southern Illinois University at Carbondale will develop and demonstrate several technologies for the placement of coal combustion residues in abandoned coal mines, and will assess the environmental impact of such underground residues placement. Previous quarterly Technical Progress Reports have set forth the specific objectives of the program, as well as the management plan and the test plan for the overall program, and a discussion of these will not be repeated here. Rather, this report, will set forth the technical progress made during the period January 1 through March 31, 1995. The demonstration of the SEEC, Inc. technology for the transporting of coal combustion residues was completed with the unloading and final disposition of the three Collapsible Intermodal Containers (CIC). The loading and transport by rail of the three CIC`s was quire successful; however some difficulties were encountered in the unloading of the containers. A full topical report on the entire SEEC demonstration is being prepared. As a result of the demonstration some modifications of the SEEC concept may be undertaken. Also during the quarter the location of the injection wells at the Peabody No. 10 mine demonstration site were selected. Peabody Coal Company has developed the specifications for the wells and sought bids for the actual drilling. It is expected that the wells will be drilled early in May.

  10. Management of dry flue gas desulfurization by-products in underground mines. Quarterly technical progress report, April 1995--June 1995

    SciTech Connect (OSTI)

    Chugh, Y.P.; Dutta, D.; Esling, S.

    1995-07-01

    On September 30, 1993, the U.S. Department of Energy-Morgantown Energy Technology Center and Southern Illinois University at Carbondale (SIUC) entered into a cooperative research agreement entitled {open_quotes}Management of Dry Flue Gas Desulfurization By-Products in Underground Mines{close_quotes} (DE-FC21-93MC30252). Under the agreement Southern Illinois University at Carbondale will develop and demonstrate several technologies for the placement of coal combustion residues in abandoned coal mines, and will assess the environmental impact of such underground residues placement. Previous quarterly Technical Progress Reports have set forth the specific objectives of the program, and a discussion of these is not repeated here. Rather, this report discusses the technical progress made during the period April 1 - June 30, 1995. A final topical report on the SEEC, Inc. demonstration of its technology for the transporting of coal combustion residues was completed during the quarter, although final printing of the report was accomplished early in July, 1995. The SEEC technology involves the use of Collapsible Intermodal Containers (CIC`s) developed by SEEC, and the transportation of such containers - filled with fly ash or other coal combustion residues - on rail coal cars or other transportation means. Copies of the final topical report, entitled {open_quotes}The Development and Testing of Collapsible Intermodal Containers for the Handling and Transport of Coal Combustion Residues{close_quotes} were furnished to the Morgantown Energy Technology Center. The Rapid Aging Test colums were placed in operation during the quarter. This test is to determine the long-term reaction of both the pneumatic and hydraulic mixtures to brine as a leaching material, and simulates the conditions that will be encountered in the actual underground placement of the coal combustion residues mixtures. The tests will continue for about one year.

  11. Ab Initio Many-Body Calculation of the 7Be(p,g)8B Radiative Capture...

    Office of Scientific and Technical Information (OSTI)

    Title: Ab Initio Many-Body Calculation of the 7Be(p,g)8B Radiative Capture Authors: Navratil, P ; Roth, R ; Quaglioni, S Publication Date: 2011-05-23 OSTI Identifier: 1122228 ...

  12. Multilevel cascade voltage source inverter with seperate DC sources...

    Office of Scientific and Technical Information (OSTI)

    Multilevel cascade voltage source inverter with seperate DC sources Citation Details In-Document Search Title: Multilevel cascade voltage source inverter with seperate DC sources ...

  13. Multilevel cascade voltage source inverter with seperate DC sources...

    Office of Scientific and Technical Information (OSTI)

    Multilevel cascade voltage source inverter with seperate DC sources Citation Details In-Document Search Title: Multilevel cascade voltage source inverter with seperate DC sources A ...

  14. Combustion Byproducts Recycling Consortium

    SciTech Connect (OSTI)

    Paul Ziemkiewicz; Tamara Vandivort; Debra Pflughoeft-Hassett; Y. Paul Chugh; James Hower

    2008-08-31

    The overall objective of this research effort was to provide a potentially commercial thermal treatment of fly ash to decrease the interaction between fly ash and the surfactants used to entrain air in concrete when fly ash replaces a portion of the Portland cement in oncrete. The thermal treatment resulting from this research effort, and described in this report, fulfill the above objective. This report describes the thermal treatment developed and applies the treatment to six different fly ashes subsequently used to prepare concrete test cylinders hat show little or no difference in compressibility when compared to concrete test cylinders prepared using untreated fly ash.

  15. The development of explosions in axisymmetric ab initio core-collapse supernova simulations of 12–25 M⊙ stars

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

    Bruenn, Stephen W.; Lentz, Eric J.; Hix, William Raphael; Mezzacappa, Anthony; Harris, James Austin; Messer, O. E. Bronson; Endeve, Eirik; Blondin, John M.; Chertkow, Merek Austin; Lingerfelt, Eric J.; et al

    2016-02-16

    We present four ab initio axisymmetric core-collapse supernova simulations initiated from 12, 15, 20, and 25 M⊙ zero-age main sequence progenitors. All of the simulations yield explosions and have been evolved for at least 1.2 s after core bounce and 1 s after material first becomes unbound. These simulations were computed with our Chimera code employing RbR spectral neutrino transport, special and general relativistic transport effects, and state-of-the-art neutrino interactions. Continuing the evolution beyond 1 s after core bounce allows the explosions to develop more fully and the processes involved in powering the explosions to become more clearly evident. Wemore » compute explosion energy estimates, including the negative gravitational binding energy of the stellar envelope outside the expanding shock, of 0.34, 0.88, 0.38, and 0.70 Bethe (B ≡ 1051 erg) and increasing at 0.03, 0.15, 0.19, and 0.52 BS–1, respectively, for the 12, 15, 20, and 25 M⊙ models at the endpoint of this report. We examine the growth of the explosion energy in our models through detailed analyses of the energy sources and flows. We discuss how the explosion energies may be subject to stochastic variations as exemplfied by the effect of the explosion geometry of the 20 M⊙ model in reducing its explosion energy. We compute the proto-neutron star masses and kick velocities. In conclusion, we compare our results for the explosion energies and ejected 56Ni masses against some observational standards despite the large error bars in both models and observations.« less

  16. SOURCE SELECTION INFORMATION -

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

    SOURCE SELECTION INFORMATION - SEE FEDERAL ACQUISITION REGULATION (FAR) 2.101 AND 3.104 ... SOURCE SELECTION INFORMATION - SEE FEDERAL ACQUISITION REGULATION (FAR) 2.101 AND 3.104 ...

  17. Sources_Sought_Notices

    Office of Environmental Management (EM)

    Sources for Office Supplies Sources for Office Supplies Consistent with the Office of Management and Budget's savings mandates and the Acting Director of the Office of Procurement and Assistance Management's memorandum entitled "Sources for Office Supplies," dated September 9, 2011, the Department of Energy (DOE) supports utilization of: (1) the General Service Administration's (GSA) Blanket Purchase Agreements (BPA) under the Federal Strategic Sourcing Initiative for Office Supplies

  18. AB INITIO STUDIES OF COKE FORMATION ON NI CATALYSTS DURING METHANE REFORMING

    SciTech Connect (OSTI)

    David S. Sholl

    2003-09-25

    The atomic-scale processes that control the formation of carbon deposits on Ni catalysts in reforming applications are poorly understood. Ab initio Density Functional Theory calculations have been used to examine several key elementary steps in the complex network of chemical reactions that precedes carbon formation on practical catalysts. Attention has been focused on the disproportionation of CO. A comparative study of this reaction on flat and stepped crystal planes of Ni has provided the first direct evidence that surface carbon formation is driven by elementary reactions occurring at defect sites on Ni catalysts.

  19. Ab initio calculations of the electronic structure of silicon nanocrystals doped with shallow donors (Li, P)

    SciTech Connect (OSTI)

    Kurova, N. V. Burdov, V. A.

    2013-12-15

    The results of ab initio calculations of the electronic structure of Si nanocrystals doped with shallow donors (Li, P) are reported. It is shown that phosphorus introduces much more significant distortions into the electronic structure of the nanocrystal than lithium, which is due to the stronger central cell potential of the phosphorus ion. It is found that the Li-induced splitting of the ground state in the conduction band of the nanocrystal into the singlet, doublet, and triplet retains its inverse structure typical for bulk silicon.

  20. Testing the density matrix expansion against ab initio calculations of trapped neutron drops

    SciTech Connect (OSTI)

    Bogner, S. K.; Hergert, H.; Furnstahl, R. J.; Kortelainen, Erno M; Stoitsov, M. V.; Maris, Pieter; Vary, J. P.

    2011-01-01

    Microscopic input to a universal nuclear energy density functional can be provided through the density matrix expansion (DME), which has recently been revived and improved. Several DME implementation strategies are tested for neutron drop systems in harmonic traps by comparing to Hartree-Fock (HF) and ab initio no-core full configuration (NCFC) calculations with a model interaction (Minnesota potential). The new DME with exact treatment of Hartree contributions is found to best reproduce HF results and supplementing the functional with fit Skyrme-like contact terms shows systematic improvement toward the full NCFC results.

  1. Initial oxidation of TiAl: An ab-initio investigation

    SciTech Connect (OSTI)

    Bakulin, Alexander V. Kulkova, Svetlana E.; Hu, Qing-Miao; Yang, Rui

    2014-11-14

    We present ab-initio investigation of oxygen adsorption up to two monolayer coverage on the stoichiometric TiAl(100) surface to illustrate the initial oxidation stage. The formation of band gap near the Fermi level demonstrates the transformation from metal to oxide surface with increasing oxygen coverage. The oxidation of Ti rather than Al is observed from our electronic structure calculations. The energy barriers of oxygen diffusion between different sites on surface as well as in subsurface and bulk region are derived. It is shown that the diffusion of oxygen is much easier on the surface than that into the subsurface region.

  2. Continuous measurement of blast furnace burden profile at SSAB Tunnplat AB

    SciTech Connect (OSTI)

    Virtala, J.; Edberg, N.; Hallin, M. . Ironmaking Division)

    1993-01-01

    A unique profile meter system is installed on Blast Furnace No. 2 in SSAB - Swedish Steel AB, Lulea, Sweden. This system measures the charge material burden profile across the furnace top diameter before and after each charge. The system generates real-time data, which is graphically presented by the system on a monitor and includes burden descent speed, layer thickness of the coke and ore (corrected for descent), ore to coke ratio, and burden skewing. The system is described along with operational results.

  3. Determination of Sugars, Byproducts, and Degradation Products in Liquid Fraction Process Samples: Laboratory Analytical Procedure (LAP); Issue Date: 12/08/2006

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

    Sugars, Byproducts, and Degradation Products in Liquid Fraction Process Samples Laboratory Analytical Procedure (LAP) Issue Date: 12/08/2006 A. Sluiter, B. Hames, R. Ruiz, C. Scarlata, J. Sluiter, and D. Templeton Technical Report NREL/TP-510-42623 January 2008 NREL is operated by Midwest Research Institute ● Battelle Contract No. DE-AC36-99-GO10337 National Renewable Energy Laboratory 1617 Cole Boulevard, Golden, Colorado 80401-3393 303-275-3000 * www.nrel.gov Operated for the U.S. Department

  4. SUSTAINABLE DEVELOPMENT IN KAZAKHASTAN: USING OIL AND GAS PRODUCTION BY-PRODUCT SULFUR FOR COST-EFFECTIVE SECONDARY END-USE PRODUCTS.

    SciTech Connect (OSTI)

    KALB, P.D.; VAGIN, S.; BEALL, P.W.; LEVINTOV, B.L.

    2004-09-25

    The Republic of Kazakhstan is continuing to develop its extensive petroleum reserves in the Tengiz region of the northeastern part of the Caspian Sea. Large quantities of by-product sulfur are being produced as a result of the removal of hydrogen sulfide from the oil and gas produced in the region. Lack of local markets and economic considerations limit the traditional outlets for by-product sulfur and the buildup of excess sulfur is a becoming a potential economic and environmental liability. Thus, new applications for re-use of by-product sulfur that will benefit regional economies including construction, paving and waste treatment are being developed. One promising application involves the cleanup and treatment of mercury at a Kazakhstan chemical plant. During 19 years of operation at the Pavlodar Khimprom chlor-alkali production facility, over 900 tons of mercury was lost to the soil surrounding and beneath the buildings. The Institute of Metallurgy and Ore Benefication (Almaty) is leading a team to develop and demonstrate a vacuum-assisted thermal process to extract the mercury from the soil and concentrate it as pure, elemental mercury, which will then be treated using the Sulfur Polymer Stabilization/Solidification (SPSS) process. The use of locally produced sulfur will recycle a low-value industrial by-product to treat hazardous waste and render it safe for return to the environment, thereby helping to solve two problems at once. SPSS chemically stabilizes mercury to mercuric sulfide, which has a low vapor pressure and low solubility, and then physically encapsulates the material in a durable, monolithic solid sulfur polymer matrix. Thus, mercury is placed in a solid form very much like stable cinnabar, the form in which it is found in nature. Previous research and development has shown that the process can successfully encapsulate up to 33 wt% mercury in the solid form, while still meeting very strict regulatory standards for leachable mercury (0.025 mg

  5. DC source assemblies

    DOE Patents [OSTI]

    Campbell, Jeremy B; Newson, Steve

    2013-02-26

    Embodiments of DC source assemblies of power inverter systems of the type suitable for deployment in a vehicle having an electrically grounded chassis are provided. An embodiment of a DC source assembly comprises a housing, a DC source disposed within the housing, a first terminal, and a second terminal. The DC source also comprises a first capacitor having a first electrode electrically coupled to the housing, and a second electrode electrically coupled to the first terminal. The DC source assembly further comprises a second capacitor having a first electrode electrically coupled to the housing, and a second electrode electrically coupled to the second terminal.

  6. Projection of needs for gamma radiation sources and other radioisotopes and assessment of alternatives for providing radiation sources

    SciTech Connect (OSTI)

    Ross, W.A.; Jensen, G.A.; Clark, L.L.; Eakin, D.E.; Jarrett, J.H.; Katayama, Y.B.; McKee, R.W.; Morgan, L.G.; Nealey, S.M.; Platt, A.M.; Tingey, G.L.

    1989-06-01

    Pacific Northwest Laboratory reviewed the projected uses and demands for a variety of nuclear byproducts. Because the major large-scale near-term demand is for gamma irradiation sources, this report concentrates on the needs for gamma sources and evaluates the options for providing the needed material. Projections of possible growth in the irradiation treatment industry indicate that there will be a need for 180 to 320 MCi of /sup 60/Co (including /sup 137/Cs equivalent) in service in the year 2000. The largest current and projected use of gamma irradiation is for the sterilization of medical devices and disposable medical supplies. Currently, 40% of US disposable medical products are treated by irradiation, and within 10 years it is expected that 90% will be treated in this manner. Irradiation treatment of food for destruction of pathogens or parasites, disinfestation, or extension of allowable storage periods is estimated to require an active inventory of 75 MCi of /sup 60/Co-equivalent gamma source in about a decade. 90 refs., 7 figs., 25 tabs.

  7. Toward spectroscopically accurate global ab initio potential energy surface for the acetylene-vinylidene isomerization

    SciTech Connect (OSTI)

    Han, Huixian; Li, Anyang; Guo, Hua

    2014-12-28

    A new full-dimensional global potential energy surface (PES) for the acetylene-vinylidene isomerization on the ground (S{sub 0}) electronic state has been constructed by fitting ?37 000 high-level ab initio points using the permutation invariant polynomial-neural network method with a root mean square error of 9.54 cm{sup ?1}. The geometries and harmonic vibrational frequencies of acetylene, vinylidene, and all other stationary points (two distinct transition states and one secondary minimum in between) have been determined on this PES. Furthermore, acetylene vibrational energy levels have been calculated using the Lanczos algorithm with an exact (J = 0) Hamiltonian. The vibrational energies up to 12 700 cm{sup ?1} above the zero-point energy are in excellent agreement with the experimentally derived effective Hamiltonians, suggesting that the PES is approaching spectroscopic accuracy. In addition, analyses of the wavefunctions confirm the experimentally observed emergence of the local bending and counter-rotational modes in the highly excited bending vibrational states. The reproduction of the experimentally derived effective Hamiltonians for highly excited bending states signals the coming of age for the ab initio based PES, which can now be trusted for studying the isomerization reaction.

  8. Ground state analytical ab initio intermolecular potential for the Cl{sub 2}-water system

    SciTech Connect (OSTI)

    Hormain, Laureline; Monnerville, Maurice Toubin, Cline; Duflot, Denis; Pouilly, Brigitte; Briquez, Stphane; Bernal-Uruchurtu, Margarita I.; Hernndez-Lamoneda, Ramn

    2015-04-14

    The chlorine/water interface is of crucial importance in the context of atmospheric chemistry. Modeling the structure and dynamics at this interface requires an accurate description of the interaction potential energy surfaces. We propose here an analytical intermolecular potential that reproduces the interaction between the Cl{sub 2} molecule and a water molecule. Our functional form is fitted to a set of high level ab initio data using the coupled-cluster single double (triple)/aug-cc-p-VTZ level of electronic structure theory for the Cl{sub 2} ? H{sub 2}O complex. The potential fitted to reproduce the three minima structures of 1:1 complex is validated by the comparison of ab initio results of Cl{sub 2} interacting with an increasing number of water molecules. Finally, the model potential is used to study the physisorption of Cl{sub 2} on a perfectly ordered hexagonal ice slab. The calculated adsorption energy, in the range 0.27 eV, shows a good agreement with previous experimental results.

  9. 4He+n+n continuum within an ab initio framework

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

    Romero-Redondo, Carolina; Quaglioni, Sofia; Navratil, Petr; Hupin, Guillaume

    2014-07-16

    In this study, the low-lying continuum spectrum of the 6He nucleus is investigated for the first time within an ab initio framework that encompasses the 4He+n+n three-cluster dynamics characterizing its lowest decay channel. This is achieved through an extension of the no-core shell model combined with the resonating-group method, in which energy-independent nonlocal interactions among three nuclear fragments can be calculated microscopically, starting from realistic nucleon-nucleon interactions and consistent ab initio many-body wave functions of the clusters. The three-cluster Schrödinger equation is solved with three-body scattering boundary conditions by means of the hyperspherical-harmonics method on a Lagrange mesh. Using amore » soft similarity-renormalization-group evolved chiral nucleon-nucleon potential, we find the known Jπ = 2+ resonance as well as a result consistent with a new low-lying second 2+ resonance recently observed at GANIL at ~2.6 MeV above the He6 ground state. We also find resonances in the 2–, 1+, and 0– channels, while no low-lying resonances are present in the 0+ and 1– channels.« less

  10. Operator evolution for ab initio electric dipole transitions of 4He

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

    Schuster, Micah D.; Quaglioni, Sofia; Johnson, Calvin W.; Jurgenson, Eric D.; Navartil, Petr

    2015-07-24

    A goal of nuclear theory is to make quantitative predictions of low-energy nuclear observables starting from accurate microscopic internucleon forces. A major element of such an effort is applying unitary transformations to soften the nuclear Hamiltonian and hence accelerate the convergence of ab initio calculations as a function of the model space size. The consistent simultaneous transformation of external operators, however, has been overlooked in applications of the theory, particularly for nonscalar transitions. We study the evolution of the electric dipole operator in the framework of the similarity renormalization group method and apply the renormalized matrix elements to the calculationmore » of the 4He total photoabsorption cross section and electric dipole polarizability. All observables are calculated within the ab initio no-core shell model. Furthermore, we find that, although seemingly small, the effects of evolved operators on the photoabsorption cross section are comparable in magnitude to the correction produced by including the chiral three-nucleon force and cannot be neglected.« less

  11. GPFA-AB_Phase1RiskAnalysisTask5DataUpload

    SciTech Connect (OSTI)

    Teresa E. Jordan

    2015-09-30

    This submission contains information used to compute the risk factors for the GPFA-AB project (DE-EE0006726). The risk factors are natural reservoir quality, thermal resource quality, potential for induced seismicity, and utilization. The methods used to combine the risk factors included taking the product, sum, and minimum of the four risk factors. The files are divided into images, rasters, shapefiles, and supporting information. The image files show what the raster and shapefiles should look like. The raster files contain the input risk factors, calculation of the scaled risk factors, and calculation of the combined risk factors. The shapefiles include definition of the fairways, definition of the US Census Places, the center of the raster cells, and locations of industries. Supporting information contains details of the calculations or processing used in generating the files. An image of the raster will have the same name except *.png as the file ending instead of *.tif. Images with “fairways” or “industries” added to the name are composed of a raster with the relevant shapefile added. The file About_GPFA-AB_Phase1RiskAnalysisTask5DataUpload.pdf contains information the citation, special use considerations, authorship, etc. More details on each file are given in the spreadsheet “list_of_contents.csv” in the folder “SupportingInfo”. Code used to calculate values is available at https://github.com/calvinwhealton/geothermal_pfa under the folder “combining_metrics”.

  12. GPFA-AB_Phase1RiskAnalysisTask5DataUpload

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

    Teresa E. Jordan

    2015-09-30

    This submission contains information used to compute the risk factors for the GPFA-AB project (DE-EE0006726). The risk factors are natural reservoir quality, thermal resource quality, potential for induced seismicity, and utilization. The methods used to combine the risk factors included taking the product, sum, and minimum of the four risk factors. The files are divided into images, rasters, shapefiles, and supporting information. The image files show what the raster and shapefiles should look like. The raster files contain the input risk factors, calculation of the scaled risk factors, and calculation of the combined risk factors. The shapefiles include definition of the fairways, definition of the US Census Places, the center of the raster cells, and locations of industries. Supporting information contains details of the calculations or processing used in generating the files. An image of the raster will have the same name except *.png as the file ending instead of *.tif. Images with fairways or industries added to the name are composed of a raster with the relevant shapefile added. The file About_GPFA-AB_Phase1RiskAnalysisTask5DataUpload.pdf contains information the citation, special use considerations, authorship, etc. More details on each file are given in the spreadsheet list_of_contents.csv in the folder SupportingInfo. Code used to calculate values is available at https://github.com/calvinwhealton/geothermal_pfa under the folder combining_metrics.

  13. Microwave ion source

    DOE Patents [OSTI]

    Leung, Ka-Ngo; Reijonen, Jani; Thomae, Rainer W.

    2005-07-26

    A compact microwave ion source has a permanent magnet dipole field, a microwave launcher, and an extractor parallel to the source axis. The dipole field is in the form of a ring. The microwaves are launched from the middle of the dipole ring using a coaxial waveguide. Electrons are heated using ECR in the magnetic field. The ions are extracted from the side of the source from the middle of the dipole perpendicular to the source axis. The plasma density can be increased by boosting the microwave ion source by the addition of an RF antenna. Higher charge states can be achieved by increasing the microwave frequency. A xenon source with a magnetic pinch can be used to produce intense EUV radiation.

  14. Low-altitude remote sensing dataset of DEM and RGB mosaic for AB corridor on July 13 2013 and L2 corridor on July 21 2013

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

    Baptiste Dafflon

    2015-04-07

    Low-altitude remote sensing dataset including DEM and RGB mosaic for AB (July 13 2013) and L2 corridor (July 21 2013)

  15. Open Source Software

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

    Open Source Software Open Source Software All open source software available through the Laboratory is listed below. Contact thumbnail of Kathleen McDonald Head of Intellectual Property, Business Development Executive Kathleen McDonald Richard P. Feynman Center for Innovation (505) 667-5844 Email For more information regarding how to access software from Los Alamos, contact the Software Team. brulilo, Version 0.x brulilo is a Python package for building and evolving thermonuclear reaction

  16. Dynamic radioactive particle source

    DOE Patents [OSTI]

    Moore, Murray E.; Gauss, Adam Benjamin; Justus, Alan Lawrence

    2012-06-26

    A method and apparatus for providing a timed, synchronized dynamic alpha or beta particle source for testing the response of continuous air monitors (CAMs) for airborne alpha or beta emitters is provided. The method includes providing a radioactive source; placing the radioactive source inside the detection volume of a CAM; and introducing an alpha or beta-emitting isotope while the CAM is in a normal functioning mode.

  17. SOURCE SELECTION INFORMATION -

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

    SOURCE SELECTION INFORMATION - SEE FEDERAL ACQUISITION REGULATION (FAR) 2.101 AND 3.104 Department of Energy Washington, DC 20585 (enter date here, centered revised template...

  18. Overview | Advanced Photon Source

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

    APS Overview: Introduction APS Systems Map LINAC Booster Synchrotron Storage Ring Insertion Devices Experiment Hall LOMs & Beamlines Overview of the APS The Advanced Photon Source...

  19. Beamlines | Advanced Photon Source

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

    Beamlines Beamlines Home Beamlines Directory Research Techniques Sectors Directory Status and Schedule Safety and Training Beamlines The Advanced Photon Source consists of 34...

  20. Recycling, Source Reduction,

    U.S. Energy Information Administration (EIA) Indexed Site

    ... Recovery and Electricity Generation" "(d)","Relative to National Average Landfill" "GREENHOUSE GAS EFFECTS OF RECYCLING, SOURCE REDUCING, AND COMPOSTING VARIOUS WASTE MATERIALS ...

  1. Improved ion source

    DOE Patents [OSTI]

    Leung, K.N.; Ehlers, K.W.

    1982-05-04

    A magnetic filter for an ion source reduces the production of undesired ion species and improves the ion beam quality. High-energy ionizing electrons are confined by the magnetic filter to an ion source region, where the high-energy electrons ionize gas molecules. One embodiment of the magnetic filter uses permanent magnets oriented to establish a magnetic field transverse to the direction of travel of ions from the ion source region to the ion extraction region. In another embodiment, low energy 16 eV electrons are injected into the ion source to dissociate gas molecules and undesired ion species into desired ion species,

  2. Imaging findings and pharmacokinetics of 111-indium ZME-018 monoclonal antibody (MoAb) in malignant melanoma

    SciTech Connect (OSTI)

    Murray, J.L.; Rosenblum, M.; Lamki, L.; Haynie, T.P.; Glenn, H.; Jahns, M.; Plager, C.; Hersh, E.M.; Unger, M.; Carlo, D.L.

    1985-05-01

    13 patients with metastatic melanoma were studied using 5 mCi of In-111 labeled MoAb ZME-018 which reacts with GP 240 melanoma-associated antigen. The MoAb was infused over 2 h at doses of 2.5 mg (5 pts), 5 mg (5 pts), and 10 mg (3 pts). Total body tomograms and planar spot views with region of interest analysis were performed at 4, 24 and 72 hours post infusion. No adverse side effects were noted. There was rapid distribution to spleen, bone, bone marrow, liver, and testes. Tumor sites could be visualized as early as 24 hours but were more easily seen at 72 hours when the background activity was less. 20 of 46 (43%) previously documented metastases were identified. More sites imaged with increasing concentrations of MoAB, I.E., 25% at 2.5 mg; 67% at 5 mg; 70% at 10 mg. Tumor localization occurred in a significant number of patients especially at MoAb doses above 2.5 mg. In two instances, uptake of 111-In occurred in previously undiagnosed sites. The pharmacokinetics of MoAb were analyzed at each dose level. At the 5 mg dose, the terminal phase half-life for 111-In in plasma was 24.5 +- 2.7 hours. The apparent volume of distribution (Vd) was 4.03 +- 5iota similar to the plasma value, and the calculated clearance rate for 111-In label was 0.0259 + 0.002 ml/kg/min. Mean urinary excretion of 111-In label was 8.7 +- 0.6% of the administered dose over 48 hours after administration. The calculated pharmacokinetic parameters were independent of antibody dose. ZME 018 was cleared more rapidly from plasma, compared to previous studies with P97 antimelanoma MoAb.

  3. 2016 Rare Earth Elements Workshop Accelerating Rare Earth Element Recovery from U.S. Domestic Sources of Coal

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

    Rare Earth Elements Workshop Accelerating Rare Earth Element Recovery from U.S. Domestic Sources of Coal and Coal By-Products August 8-9, 2016 Hosted by: Dr. Cynthia Powell Acting Deputy Director, Science & Technology National Energy Technology Laboratory U.S. Department of Energy 541.207.7392 Office of Fossil Energy U.S. Department of Energy 301.903.2827 Location: National Energy Technology Laboratory 3610 Collins Ferry Road Morgantown, WV 26505 Time: 12:30 pm - 4:15 pm August 8, 2016 7:30

  4. Radiation Source Replacement Workshop

    SciTech Connect (OSTI)

    Griffin, Jeffrey W.; Moran, Traci L.; Bond, Leonard J.

    2010-12-01

    This report summarizes a Radiation Source Replacement Workshop in Houston Texas on October 27-28, 2010, which provided a forum for industry and researchers to exchange information and to discuss the issues relating to replacement of AmBe, and potentially other isotope sources used in well logging.

  5. PORTABLE SOURCE OF RADIOACTIVITY

    DOE Patents [OSTI]

    Goertz, R.C.; Ferguson, K.R.; Rylander, E.W.; Safranski, L.M.

    1959-06-16

    A portable source for radiogiaphy or radiotherapy is described. It consists of a Tl/sup 170/ or Co/sup 60/ source mounted in a rotatable tungsten alloy plug. The plug rotates within a brass body to positions of safety or exposure. Provision is made for reloading and carrying the device safely. (T.R.H.)

  6. Radioisotopic heat source

    DOE Patents [OSTI]

    Jones, G.J.; Selle, J.E.; Teaney, P.E.

    1975-09-30

    Disclosed is a radioisotopic heat source and method for a long life electrical generator. The source includes plutonium dioxide shards and yttrium or hafnium in a container of tantalum-tungsten-hafnium alloy, all being in a nickel alloy outer container, and subjected to heat treatment of from about 1570$sup 0$F to about 1720$sup 0$F for about one h. (auth)

  7. Ab initio determination of the instability growth rate of warm dense beryllium-deuterium interface

    SciTech Connect (OSTI)

    Wang, Cong; Zhang, Ping; Li, Zi; Li, DaFang

    2015-10-15

    Accurate knowledge about the interfacial unstable growth is of great importance in inertial confinement fusion. During implosions, the deuterium-tritium capsule is driven by laser beams or X-rays to access the strongly coupled and partially degenerated warm dense matter regime. At this stage, the effects of dissipative processes, such as diffusion and viscosity, have significant impact on the instability growth rates. Here, we present ab initio molecular dynamics simulations to determine the equations of state and the transport coefficients. Several models are used to estimate the reduction in the growth rate dispersion curves of Rayleigh-Taylor and Richtmyer-Meshkov instabilities with considering the presence of these dissipative effects. We show that these instability growth rates are effectively reduced when considering diffusion. The findings provide significant insights into the microscopic mechanism of the instability growth at the ablator-fuel interface and will refine the models used in the laser-driven hydrodynamic instability experiments.

  8. Classification of octet AB-type binary compounds using dynamical charges: A materials informatics perspective

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

    Pilania, G.; Gubernatis, J. E.; Lookman, T.

    2015-12-03

    The role of dynamical (or Born effective) charges in classification of octet AB-type binary compounds between four-fold (zincblende/wurtzite crystal structures) and six-fold (rocksalt crystal structure) coordinated systems is discussed. We show that the difference in the dynamical charges of the fourfold and sixfold coordinated structures, in combination with Harrison’s polarity, serves as an excellent feature to classify the coordination of 82 sp–bonded binary octet compounds. We use a support vector machine classifier to estimate the average classification accuracy and the associated variance in our model where a decision boundary is learned in a supervised manner. Lastly, we compare the out-of-samplemore » classification accuracy achieved by our feature pair with those reported previously.« less

  9. Pressure effect on elastic anisotropy of crystals from ab initio simulations: The case of silicate garnets

    SciTech Connect (OSTI)

    Mahmoud, A.; Erba, A. Dovesi, R.; Doll, K.

    2014-06-21

    A general methodology has been devised and implemented into the solid-state ab initio quantum-mechanical CRYSTAL program for studying the evolution under geophysical pressure of the elastic anisotropy of crystalline materials. This scheme, which fully exploits both translational and point symmetry of the crystal, is developed within the formal frame of one-electron Hamiltonians and atom-centered basis functions. Six silicate garnet end-members, among the most important rock-forming minerals of the Earth's mantle, are considered, whose elastic anisotropy is fully characterized under high hydrostatic compressions, up to 60 GPa. The pressure dependence of azimuthal anisotropy and shear-wave birefringence of seismic wave velocities for these minerals are accurately simulated and compared with available single-crystal measurements.

  10. An ab initio approach to free-energy reconstruction using logarithmic mean force dynamics

    SciTech Connect (OSTI)

    Nakamura, Makoto Obata, Masao; Morishita, Tetsuya; Oda, Tatsuki; Institute of Science and Engineering, Kanazawa University, Kanazawa 920-1192

    2014-05-14

    We present an ab initio approach for evaluating a free energy profile along a reaction coordinate by combining logarithmic mean force dynamics (LogMFD) and first-principles molecular dynamics. The mean force, which is the derivative of the free energy with respect to the reaction coordinate, is estimated using density functional theory (DFT) in the present approach, which is expected to provide an accurate free energy profile along the reaction coordinate. We apply this new method, first-principles LogMFD (FP-LogMFD), to a glycine dipeptide molecule and reconstruct one- and two-dimensional free energy profiles in the framework of DFT. The resultant free energy profile is compared with that obtained by the thermodynamic integration method and by the previous LogMFD calculation using an empirical force-field, showing that FP-LogMFD is a promising method to calculate free energy without empirical force-fields.

  11. Experimental and ab initio study of the photofragmentation of DNA and RNA sugars

    SciTech Connect (OSTI)

    Ha, D. T.; Huels, M. A.; Huttula, M.; Urpelainen, S.; Kukk, E.

    2011-09-15

    The photoelectron-photoion-photoion coincidence method is used to measure the photodissociation of doubly charged D-ribose (C{sub 5}H{sub 10}O{sub 5}), the RNA sugar molecules, and 2-deoxy-D-ribose (C{sub 5}H{sub 10}O{sub 4}), the DNA sugar molecules, following normal Auger decay after initial C 1s and O 1s core ionizations. The fragment identification is facilitated by measuring isotopically labeled D-ribose, such as D-ribose deuterated at C(1), and with {sup 13}C at the C(5) position. Ab initio quantum chemistry calculations are used to gain further insight into the abundant appearance of the CHO{sup +} fragment.

  12. AB INITIO STUDIES OF COKE FORMATION ON NI CATALYSTS DURING METHANE REFORMING

    SciTech Connect (OSTI)

    David S. Sholl

    2004-09-25

    The atomic-scale processes that control the formation of carbon deposits on Ni catalysts in reforming applications are poorly understood. Ab initio Density Functional Theory calculations have been used to examine several key elementary steps in the complex network of chemical reactions that precedes carbon formation on practical catalysts. Attention has been focused on the disproportionation of CO. A comparative study of this reaction on flat and stepped crystal planes of Ni has provided the first direct evidence that surface carbon formation is driven by elementary reactions occurring at defect sites on Ni catalysts. The adsorption and diffusion of atomic H on several flat and stepped Ni surfaces has also been characterized experimentally.

  13. Ab Initio Studies of Coke Formation on Ni Catalysts During Methane Reforming

    SciTech Connect (OSTI)

    David S. Sholl

    2006-03-05

    The atomic-scale processes that control the formation of carbon deposits on Ni catalysts in reforming applications are poorly understood. Ab initio Density Functional Theory calculations have been used to examine several key elementary steps in the complex network of chemical reactions that precedes carbon formation on practical catalysts. Attention has been focused on the disproportionation of CO. A comparative study of this reaction on flat and stepped crystal planes of Ni has provided the first direct evidence that surface carbon formation is driven by elementary reactions occurring at defect sites on Ni catalysts. The adsorption and diffusion of atomic H on several flat and stepped Ni surfaces has also been characterized experimentally.

  14. Quantum fluctuations and isotope effects in ab initio descriptions of water

    SciTech Connect (OSTI)

    Wang, Lu; Markland, Thomas E.; Ceriotti, Michele

    2014-09-14

    Isotope substitution is extensively used to investigate the microscopic behavior of hydrogen bonded systems such as liquid water. The changes in structure and stability of these systems upon isotope substitution arise entirely from the quantum mechanical nature of the nuclei. Here, we provide a fully ab initio determination of the isotope exchange free energy and fractionation ratio of hydrogen and deuterium in water treating exactly nuclear quantum effects and explicitly modeling the quantum nature of the electrons. This allows us to assess how quantum effects in water manifest as isotope effects, and unravel how the interplay between electronic exchange and correlation and nuclear quantum fluctuations determine the structure of the hydrogen bond in water.

  15. Ab initio calculations of singlet and triplet excited states of chlorine nitrate and nitric acid

    SciTech Connect (OSTI)

    Grana, A.M.; Head-Gordon, M. |; Lee, T.J.

    1995-03-16

    Ab initio calculations of vertical excitations to single and triplet excited states of chlorine nitrate and nitric acid are reported, using the CIS, CIS(D), and CCSD methods. The effects of basis set composition and calculational methods are investigated. The nature of the electronic transitions are examined by decomposing the difference density into the sum of detachment and attachment densities. Counterparts for the three lowest singlet excited states of nitric acid survive relatively unperturbed in chlorine nitrate, while other low lying singlet states of chlorine nitrate appear to be directly dissociative in the CIO chromophore. These results suggest an assignment of the two main peaks in the experimental chlorine nitrate absorption spectrum. In addition, triplet vertical excitations and the lowest optimized triplet geometries of both molecules are studied. 70 refs., 2 figs., 6 tabs.

  16. Electronic excitation induced amorphization in titanate pyrochlores: an ab initio molecular dynamics study

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

    Xiao, Haiyan Y.; Weber, William J.; Zhang, Yanwen; Zu, X. T.; Li, Sean

    2015-02-09

    In this study, the response of titanate pyrochlores (A2Ti2O7, A = Y, Gd and Sm) to electronic excitation is investigated utilizing an ab initio molecular dynamics method. All the titanate pyrochlores are found to undergo a crystalline-to-amorphous structural transition under a low concentration of electronic excitations. The transition temperature at which structural amorphization starts to occur depends on the concentration of electronic excitations. During the structural transition, O2-like molecules are formed, and this anion disorder further drives cation disorder that leads to an amorphous state. This study provides new insights into the mechanisms of amorphization in titanate pyrochlores under laser,more » electron and ion irradiations.« less

  17. Ab initio multiple cloning simulations of pyrrole photodissociation: TKER spectra and velocity map imaging

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

    Makhov, Dmitry V.; Saita, Kenichiro; Martinez, Todd J.; Shalashilin, Dmitrii V.

    2014-12-11

    In this study, we report a detailed computational simulation of the photodissociation of pyrrole using the ab initio Multiple Cloning (AIMC) method implemented within MOLPRO. The efficiency of the AIMC implementation, employing train basis sets, linear approximation for matrix elements, and Ehrenfest configuration cloning, allows us to accumulate significant statistics. We calculate and analyze the total kinetic energy release (TKER) spectrum and Velocity Map Imaging (VMI) of pyrrole and compare the results directly with experimental measurements. Both the TKER spectrum and the structure of the velocity map image (VMI) are well reproduced. Previously, it has been assumed that the isotropicmore » component of the VMI arises from long time statistical dissociation. Instead, our simulations suggest that ultrafast dynamics contributes significantly to both low and high energy portions of the TKER spectrum.« less

  18. Ab initio study of formation, migration and binding properties of helium-vacancy clusters in aluminum

    SciTech Connect (OSTI)

    Yang, Li; Zu, Xiaotao T.; Gao, Fei

    2008-08-01

    Ab initio calculations based on density functional theory have been performed to study the dissolution and migration of helium, and the stability of small helium-vacancy clusters HenVm (n, m=0 to 4) in aluminum. The results indicate that the octahedral configuration is more stable than the tetrahedral. Interstitial helium atoms are predicted to have attractive interactions and jump between two octahedral sites via an intermediate tetrahedral site with low migration energy of 0.10 eV. The binding energies of an interstitial He atom and an isolated vacancy to a HenVm cluster are also obtained from the calculated formation energies of the clusters. We find that the divacancy and tri--vacancy clusters are not stable, but He atoms can increase the stability of vacancy clusters. The interactions of He atoms with a vacancy are found to be in good agreement with the experimental results.

  19. Classification of octet AB-type binary compounds using dynamical charges: A materials informatics perspective

    SciTech Connect (OSTI)

    Pilania, G.; Gubernatis, J. E.; Lookman, T.

    2015-12-03

    The role of dynamical (or Born effective) charges in classification of octet AB-type binary compounds between four-fold (zincblende/wurtzite crystal structures) and six-fold (rocksalt crystal structure) coordinated systems is discussed. We show that the difference in the dynamical charges of the fourfold and sixfold coordinated structures, in combination with Harrison’s polarity, serves as an excellent feature to classify the coordination of 82 sp–bonded binary octet compounds. We use a support vector machine classifier to estimate the average classification accuracy and the associated variance in our model where a decision boundary is learned in a supervised manner. Lastly, we compare the out-of-sample classification accuracy achieved by our feature pair with those reported previously.

  20. GPFA-AB_Phase1GeologicReservoirsContentModel10_26_2015.xls

    SciTech Connect (OSTI)

    Teresa E. Jordan

    2015-09-30

    This dataset conforms to the Tier 3 Content Model for Geologic Reservoirs Version 1.0. It contains the known hydrocarbon reservoirs within the study area of the GPFA-AB Phase 1 Task 2, Natural Reservoirs Quality Analysis (Project DE-EE0006726). The final values for Reservoir Productivity Index (RPI) and uncertainty (in terms of coefficient of variation, CV) are included. RPI is in units of liters per MegaPascal-second (L/MPa-s), quantified using permeability, thickness of formation, and depth. A higher RPI is more optimal. Coefficient of Variation (CV) is the ratio of the standard deviation to the mean RPI for each reservoir. A lower CV is more optimal. Details on these metrics can be found in the Reservoirs_Methodology_Memo.pdf uploaded to the Geothermal Data Repository Node of the NGDS in October of 2015.

  1. AB INITIO Modeling of Thermomechanical Properties of Mo-Based Alloys for Fossil Energy Conversion

    SciTech Connect (OSTI)

    Ching, Wai-Yim

    2013-12-31

    In this final scientific/technical report covering the period of 3.5 years started on July 1, 2011, we report the accomplishments on the study of thermo-mechanical properties of Mo-based intermetallic compounds under NETL support. These include computational method development, physical properties investigation of Mo-based compounds and alloys. The main focus is on the mechanical and thermo mechanical properties at high temperature since these are the most crucial properties for their potential applications. In particular, recent development of applying ab initio molecular dynamic (AIMD) simulations to the T1 (Mo{sub 5}Si{sub 3}) and T2 (Mo{sub 5}SiB{sub 2}) phases are highlighted for alloy design in further improving their properties.

  2. Electronic states of lithium passivated germanium nanowires: An ab-initio study

    SciTech Connect (OSTI)

    Trejo, A.; Carvajal, E.; Vzquez-Medina, R.; Cruz-Irisson, M.

    2014-05-15

    A study of the electronic and structural properties of germanium nanowires (GeNWs) was performed using the ab-initio Density Functional Theory within the generalized gradient approximation where electron-ion interactions are described by ultrasoft pseudopotentials. To study the effects of the lithium in the surface of the GeNWs we compare the electronic band structures of Hydrogen passivated GeNWs with those of partial and totally Li passivated GeNWs. The nanowires were constructed in the [001], [111] and [110] directions, using the supercell model to create different wire diameters. The results show that in the case of partial Li passivation there are localized orbitals near the valence band maximum, which would create a p-doped-kind of state. The total Li passivation created metallic states for all the wires.

  3. Communication: GAIMS—generalized ab initio multiple spawning for both internal conversion and intersystem crossing processes

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

    Curchod, Basile F. E.; Rauer, Clemens; Marquetand, Philipp; Gonzalez, Leticia; Martinez, Todd J.

    2016-03-11

    Full Multiple Spawning is a formally exact method to describe the excited-state dynamics of molecular systems beyond the Born-Oppenheimer approximation. However, it has been limited until now to the description of radiationless transitions taking place between electronic states with the same spin multiplicity. This Communication presents a generalization of the full and ab initio Multiple Spawning methods to both internal conversion (mediated by nonadiabatic coupling terms) and intersystem crossing events (triggered by spin-orbit coupling matrix elements) based on a spin-diabatic representation. Lastly, the results of two numerical applications, a model system and the deactivation of thioformaldehyde, validate the presented formalismmore » and its implementation.« less

  4. Piezotube borehole seismic source

    DOE Patents [OSTI]

    Daley, Tom M; Solbau, Ray D; Majer, Ernest L

    2014-05-06

    A piezoelectric borehole source capable of permanent or semipermanent insertion into a well for uninterrupted well operations is described. The source itself comprises a series of piezoelectric rings mounted to an insulative mandrel internally sized to fit over a section of well tubing, the rings encased in a protective housing and electrically connected to a power source. Providing an AC voltage to the rings will cause expansion and contraction sufficient to create a sonic pulse. The piezoelectric borehole source fits into a standard well, and allows for uninterrupted pass-through of production tubing, and other tubing and electrical cables. Testing using the source may be done at any time, even concurrent with well operations, during standard production.

  5. Photonic crystal light source

    DOE Patents [OSTI]

    Fleming, James G.; Lin, Shawn-Yu; Bur, James A.

    2004-07-27

    A light source is provided by a photonic crystal having an enhanced photonic density-of-states over a band of frequencies and wherein at least one of the dielectric materials of the photonic crystal has a complex dielectric constant, thereby producing enhanced light emission at the band of frequencies when the photonic crystal is heated. The dielectric material can be a metal, such as tungsten. The spectral properties of the light source can be easily tuned by modification of the photonic crystal structure and materials. The photonic crystal light source can be heated electrically or other heating means. The light source can further include additional photonic crystals that exhibit enhanced light emission at a different band of frequencies to provide for color mixing. The photonic crystal light source may have applications in optical telecommunications, information displays, energy conversion, sensors, and other optical applications.

  6. Self-oscillating AB diblock copolymer developed by post modification strategy

    SciTech Connect (OSTI)

    Ueki, Takeshi E-mail: ryo@cross.t.u-tokyo.ac.jp; Onoda, Michika; Tamate, Ryota; Yoshida, Ryo E-mail: ryo@cross.t.u-tokyo.ac.jp; Shibayama, Mitsuhiro

    2015-06-15

    We prepared AB diblock copolymer composed of hydrophilic poly(ethylene oxide) segment and self-oscillating polymer segment. In the latter segment, ruthenium tris(2,2′-bipyridine) (Ru(bpy){sub 3}), a catalyst of the Belousov-Zhabotinsky reaction, is introduced into the polymer architecture based on N-isopropylacrylamide (NIPAAm). The Ru(bpy){sub 3} was introduced into the polymer segment by two methods; (i) direct random copolymerization (DP) of NIPAAm and Ru(bpy){sub 3} vinyl monomer and (ii) post modification (PM) of Ru(bpy){sub 3} with random copolymer of NIPAAm and N-3-aminopropylmethacrylamide. For both the diblock copolymers, a bistable temperature region (the temperature range; ΔT{sub m}), where the block copolymer self-assembles into micelle at reduced Ru(bpy){sub 3}{sup 2+} state whereas it breaks-up into individual polymer chain at oxidized Ru(bpy){sub 3}{sup 3+} state, monotonically extends as the composition of the Ru(bpy){sub 3} increases. The ΔT{sub m} of the block copolymer prepared by PM is larger than that by DP. The difference in ΔT{sub m} is rationalized from the statistical analysis of the arrangement of the Ru(bpy){sub 3} moiety along the self-oscillating segments. By using the PM method, the well-defined AB diblock copolymer having ΔT{sub m} (ca. 25 °C) large enough to cause stable self-oscillation can be prepared. The periodic structural transition of the diblock copolymer in a dilute solution ([Polymer] = 0.1 wt. %) is closely investigated in terms of the time-resolved dynamic light scattering technique at constant temperature in the bistable region. A macroscopic viscosity oscillation of a concentrated polymer solution (15 wt. %) coupled with the periodic microphase separation is also demonstrated.

  7. Emergent properties of nuclei from ab initio coupled-cluster calculations

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

    Hagen, G.; Hjorth-Jensen, M.; Jansen, G. R.; Papenbrock, T.

    2016-05-17

    Emergent properties such as nuclear saturation and deformation, and the effects on shell structure due to the proximity of the scattering continuum and particle decay channels are fascinating phenomena in atomic nuclei. In recent years, ab initio approaches to nuclei have taken the first steps towards tackling the computational challenge of describing these phenomena from Hamiltonians with microscopic degrees of freedom. Our endeavor is now possible due to ideas from effective field theories, novel optimization strategies for nuclear interactions, ab initio methods exhibiting a soft scaling with mass number, and ever-increasing computational power. We review some of the recent accomplishments. We also present new results. The recently optimized chiral interaction NNLOmore » $${}_{{\\rm{sat}}}$$ is shown to provide an accurate description of both charge radii and binding energies in selected light- and medium-mass nuclei up to 56Ni. We derive an efficient scheme for including continuum effects in coupled-cluster computations of nuclei based on chiral nucleon–nucleon and three-nucleon forces, and present new results for unbound states in the neutron-rich isotopes of oxygen and calcium. Finally, the coupling to the continuum impacts the energies of the $${J}^{\\pi }=1/{2}^{-},3/{2}^{-},7/{2}^{-},3/{2}^{+}$$ states in $${}^{\\mathrm{17,23,25}}$$O, and—contrary to naive shell-model expectations—the level ordering of the $${J}^{\\pi }=3/{2}^{+},5/{2}^{+},9/{2}^{+}$$ states in $${}^{\\mathrm{53,55,61}}$$Ca.« less

  8. Microfabricated diffusion source

    DOE Patents [OSTI]

    Oborny, Michael C.; Frye-Mason, Gregory C.; Manginell, Ronald P.

    2008-07-15

    A microfabricated diffusion source to provide for a controlled diffusion rate of a vapor comprises a porous reservoir formed in a substrate that can be filled with a liquid, a headspace cavity for evaporation of the vapor therein, a diffusion channel to provide a controlled diffusion of the vapor, and an outlet to release the vapor into a gas stream. The microfabricated diffusion source can provide a calibration standard for a microanalytical system. The microanalytical system with an integral diffusion source can be fabricated with microelectromechanical systems technologies.

  9. Pulsed ion beam source

    DOE Patents [OSTI]

    Greenly, John B.

    1996-01-01

    An improved magnetically-confined anode plasma pulsed ion beam source. Beam rotation effects and power efficiency are improved by a magnetic design which places the separatrix between the fast field flux structure and the slow field structure near the anode of the ion beam source, by a gas port design which localizes the gas delivery into the gap between the fast coil and the anode, by a pre-ionizer ringing circuit connected to the fast coil, and by a bias field means which optimally adjusts the plasma formation position in the ion beam source.

  10. CALUTRON ION SOURCE

    DOE Patents [OSTI]

    Lofgren, E.J.

    1959-02-17

    An improvement is described in ion source mechanisms whereby the source structure is better adapted to withstanid the ravages of heat, erosion, and deterioration concomitant with operation of an ion source of the calutron type. A pair of molybdenum plates define the exit opening of the arc chamber and are in thermal contact with the walls of the chamber. These plates are maintained at a reduced temperature by a pair of copper blocks in thermal conducting contact therewith to form subsequent diverging margins for the exit opening.