National Library of Energy BETA

Sample records for nh acid rain

  1. Ozone and acid rain

    SciTech Connect (OSTI)

    Not Available

    1987-10-09

    The roles of ozone and other oxidizing agents are discussed. The major polluting emissions are SO/sub 2/, NO, and volatile organic chemicals. In the usual ambient concentrations, these substances are relatively harmless. However, when SO/sub 2/ and NO are oxidized, they are converted into more acid, more toxic, substances. Oxidants, including OH, H/sub 2/O/sub 2/, HO/sub 2/, and organic peroxides, arise out of complex photochemistry that involves the ozone, the nitrogen oxides, and volatile organic chemicals. Were SO/sub 2/ the only pollutant, most of it would escape unchanged to the western Atlantic Ocean where it would be so diluted as to have no effect. At present about 35 percent of the SO/sub 2/ produced in the United States leaves the continent. In contrast, because of higher rates of reaction with oxidants, most of the NO is converted into nitric acid and deposited on land. The nitrogen oxides are involved in the production of ozone, some of which is naturally present. But particularly in urban settings where concentrations of NO/sub x/ are elevated and volatile organic chemicals such as those in gasoline are present, ozone concentrations may rise to levels deleterious to health. The Environmental Protection Agency has set standards for levels not to be exceeded, but nearly half of urban communities are not in compliance. The NO/sub x/ involved in the formation of urban ozone comes mostly from vehicular emissions.

  2. Acid rain information book. Draft final report

    SciTech Connect (OSTI)

    1980-12-01

    Acid rain is one of the most widely publicized environmental issues of the day. The potential consequences of increasingly widespread acid rain demand that this phenomenon be carefully evaluated. Reveiw of the literature shows a rapidly growing body of knowledge, but also reveals major gaps in understanding that need to be narrowed. This document discusses major aspects of the acid rain phenomenon, points out areas of uncertainty, and summarizes current and projected research by responsible government agencies and other concerned organizations.

  3. Acid rain legislation and local areas

    SciTech Connect (OSTI)

    Jones, G.H.B.

    1992-01-01

    This study explores the local economic impacts of the phase I requirements of the 1990 acid rain legislation. This legislation allows electric utilities to adopt least cost ways of reducing sulfur dioxide pollution. The impact on employment, income and size distribution of income due to a switch to low sulfur coal is examined for a selected number of high sulfur coal producing counties in southern Illinois. In order to achieve the above objectives a generalized non-survey input-output model, IMPLAN (Impact Analysis for Planning), is employed to estimate first- and second-order employment and income effects of a switch to low sulfur coal. Two models, I and II, are constructed to provide these estimates. In Model I, income is generated and adjusted to reflect income retained and spent within the four county region. In Model II, no adjustment is made for flows into and out of the region. In addition to adjustments in income, adjustments in direct employment impacts were made in both models to account for retirements. Scenarios reflecting different degrees of coal switching, low and high switching options, were examined under both models. With regards to size distribution impacts, a newly developed operational model compatible with IMPLAN and developed by Rose et al (1988) was employed. This model is a member of a class of models collectively termed extended input-output models. As in the case of employment and income, allowance was made for income generated, retained and spent within the four counties in the assessment of income distribution impacts. The findings indicate that the adverse effects of a switch to low sulfur coal under the 1990 acid rain legislation will primarily hurt the coal mining industry. Coal mining employment and income will be adversely affected. Employment and income declines in other industries in the region will be fairly slight. Second, income distribution becomes slightly more equal for the local area due to acid rain control.

  4. Gas turbines and acid rain - Looking at some solutions

    SciTech Connect (OSTI)

    May, W.

    1989-01-01

    This article examines the technology available for reducing the sulfur emissions of gas turbines that are implicated in the production of acid rain. The alternatives reviewed are limestone scrubbing, spray dryer absorption and limestone injection into boilers. The last process is not feasible for gas turbines and of the other two the author recommends limestone scrubbing.

  5. Progress on Acidic Zirconia Mixed Oxides for Efficient NH3-SCR...

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

    Zirconia Mixed Oxides for Efficient NH3-SCR Catalysis Progress on Acidic Zirconia Mixed Oxides for Efficient NH3-SCR Catalysis Details progress on non-zeolitic zirconia-based ...

  6. Environmental Externalities in Electric Power Markets: Acid Rain, Urban Ozone, and Climate Change

    Reports and Publications (EIA)

    1995-01-01

    This article discusses the emissions resulting from the generation of electricity by utilities and their role in contributing to the environmental problems of acid rain, urban ozone, and climate change.

  7. Effects of acid rain on apple tree productivity and fruit quality

    SciTech Connect (OSTI)

    Forsline, P.L.; Musselman, R.C.; Kender, W.J.; Dee, R.J.

    1983-01-01

    Mature 'McIntosh', 'Empire', and 'Golden Delicious' apple trees (Malus domestica Borkh.) were sprayed with simulated acid rain solutions in the pH range of 2.5 to 5.5 at full bloom in 1980 and in 1981. In 1981, weekly sprays were applied at pH 2.75 and pH 3.25. Necrotic lesions developed on apple petals at pH 2.5 with slight injury appearing at pH 3.0 and pH 3.5. Apple foliage had no acid rain lesions at any of the pH levels tested. Pollen germination was reduced at ph 2.5 in 'Empire'. Slight fruit set reduction at pH 2.5 was observed in 'McIntosh'. The incidence of russetting on 'Golden Delicious' fruits was ameliorated by the presence of rain-exclusion chambers but was not affected by acid rain. With season-long sprays at pH 2.75, there was a slight delay in maturity and lower weight of 'McIntosh' apples. Even at the lowest pH levels no detrimental effects of simulated acid rain were found on apple tree productivity and fruit quality when measured as fruit set, seed number per fruit, and fruit size and appearance.

  8. Progress on Acidic Zirconia Mixed Oxides for Efficient NH3-SCR Catalysis |

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

    Department of Energy Acidic Zirconia Mixed Oxides for Efficient NH3-SCR Catalysis Progress on Acidic Zirconia Mixed Oxides for Efficient NH3-SCR Catalysis Details progress on non-zeolitic zirconia-based mixed oxides as promising new SCR catalyst materials and results of engine bench testing of full-size SCR prototype confirms Details progress on non-zeolitic zirconia-based mixed oxides as promising new SCR catalyst materials and results of engine bench testing of full-size SCR prototype

  9. Electric Utility Phase I Acid Rain Compliance Strategies for the Clean Air Act Amendments of 1990

    Reports and Publications (EIA)

    1994-01-01

    The Acid Rain Program is divided into two time periods; Phase I, from 1995 through 1999, and Phase II, starting in 2000. Phase I mostly affects power plants that are the largest sources of SO2 and NOx . Phase II affects virtually all electric power producers, including utilities and nonutilities. This report is a study of the effects of compliance with Phase I regulations on the costs and operations of electric utilities, but does not address any Phase II impacts.

  10. Effects of acid rain on apple tree productivity and fruit quality

    SciTech Connect (OSTI)

    Forsline, P.L.; Musselman, R.C.; Kender, W.J.; Dee, R.J.

    1983-01-01

    Mature McIntosh, Empire, and Golden Delicious apple trees (Malus domestica) were sprayed with simulated acid rain solutions in the pH range of 2.5 to 5.5 at full bloom in 1980 and 1981. In 1981, weekly sprays were applied at pH 2.75 and pH 3.25. Necrotic lesions developed on apple petals at pH 2.5 with slight injury appearing at pH 3.0 and 3.5. Apple foliage had no acid rain lesions at any of the pH levels tested. Pollen germination was reduced at pH 2.5 in Empire. Slight fruit set reduction at pH 2.5 was observed in McIntosh. Even at the lowest pH levels no detrimental effects of simulated acid rain were found on apple tree productivity and fruit quality when measured as fruit set, seed number per fruit, and fruit size and appearance.

  11. The role of EPA`s Acid Rain Division in the Ozone Transport Commission`s NOx budget program

    SciTech Connect (OSTI)

    Schary, C.; Culligan, K.

    1997-12-31

    The Ozone Transport Commission`s (OTC) Nitrogen Oxides (NO{sub x}) Budget Program will implement the emissions reduction goal of the 1994 Memorandum of Understanding between its twelve member states and the District of Columbia. The program will achieve its significant NO{sub x} reductions from electric utilities and industrial boilers using a {open_quotes}cap-and-trade{close_quotes} approach modeled after the US Environmental Protection Agency`s sulfur dioxide emissions trading under the Acid Rain Program. The similarity of the two programs has led to the development of an important partnership between the OTC states and EPA`s Acid Rain Division, Over the past two years, Acid Rain Program staff have shared their technical expertise and assisted extensively in the development of the program`s rules. Leveraging the investment EPA made in the systems used to run the Acid Rain Program, the OTC states have asked the Acid Rain Division to administer the data systems for them, and together are working to expand its existing Emissions Tracking System and to modify a clone of the sulfur dioxide Allowance Tracking System, to fulfill the unique requirements of the NO{sub x} Budget Program. This partnership is an important example of the new type of cooperation and sharing of expertise and resources that should develop between EPA and states as they launch multi-state programs to address regional pollution problems that defy a single-state solution.

  12. The future of emissions trading in light of the acid rain experience

    SciTech Connect (OSTI)

    McLean, B.J.; Rico, R.

    1995-12-31

    The idea of emissions trading was developed more than two decades ago by environmental economists eager to provide new ideas for how to improve the efficiency of environmental protection. However, early emissions trading efforts were built on the historical {open_quotes}command and control{close_quotes} infrastructure which has dominated U.S. environmental protection until today. The {open_quotes}command and control{close_quotes} model initially had advantages that were of a very pragmatic character: it assured large pollution reductions in a time when large, cheap reductions were available and necessary; and it did not require a sophisticated government infrastructure. Within the last five years, large-scale emission trading programs have been successfully designed and started that are fundamentally different from the earlier efforts, creating a new paradigm for environmental control just when our understanding of environmental problems is changing as well. The purpose of this paper is to focus on the largest national-scale program--the Acid Rain Program--and from that experience, forecast when emission trading programs may be headed based on our understanding of the factors currently influencing environmental management. The first section of this paper will briefly review the history of emissions trading programs, followed by a summary of the features of the Acid Rain Program, highlighting those features that distinguish it from previous efforts. The last section addresses the opportunities for emissions trading (and its probable future directions).

  13. Allowance trading activity and state regulatory rulings: Evidence from the US Acid Rain Program

    SciTech Connect (OSTI)

    Bailey, E.M.

    1997-12-31

    The US Acid Rain Program is one of the first, and by far the most extensive, applications of a market based approach to pollution control. From the beginning, there has been concern whether utilities would participate in allowance trading, and whether regulatory activity at the state level would further complicate utilities` decision to trade allowances. This paper finds that public utility commission regulation has encouraged allowance trading activity in states with regulatory rulings, but that allowance trading activity has not been limited to states issuing regulations. Until there is evidence suggesting that significant additional cost savings could have been obtained if additional allowance trading activity had occurred in states without regulations or that utilities in states with regulations are still not taking advantage of all cost saving trading opportunities, this analysis suggests that there is little reason to believe that allowance trading activity is impeded by public utility commission regulations.

  14. Implications of the Clean Air Act acid rain title on industrial boilers

    SciTech Connect (OSTI)

    Maibodi, M. )

    1991-11-01

    This paper discusses the impacts of the 1990 Clean Air Act Amendments related to acid rain controls, as they apply to industrial boilers. Emphasis is placed on explaining the Title IV provisions of the Amendments that permit nonutility sources to participate in the SO{sub 2} allowance system. The allowance system, as it pertains to industrial boiler operators, is described, and the opportunities for operators to trade and/or sell SO{sub 2} emission credits is discussed. The paper also reviews flue gas desulfurization system technologies available for industrial boiler operators who may choose to participate in the system. Furnace sorbent injection, advanced silicate process, lime spray drying, dry sorbent injection, and limestone scrubbing are described, including statements of their SO{sub 2} removing capability, commercial status, and costs. Capital costs, levelized costs and cost-effectiveness are presented for these technologies.

  15. H. R. 5904: A Bill to amend the Internal Revenue Code of 1986 to provide tax relief to utilities installing acid rain reduction equipment, introduced in the House of Representatives, One Hundred First Congress, Second Session, October 23, 1990

    SciTech Connect (OSTI)

    Not Available

    1990-01-01

    This bill was introduced into the US House of Representatives on October 23, 1990 to control acid rain. This legislation focuses on tax credit for equipment to meet acid rain reduction standards, as well as tax-exempt financing of acid rain control property. In addition, a tax credit is issued for minerals used to reduce the sulfur in coal.

  16. The role of the U.S. Clean Coal Technology Program in implementing the objectives of the joint Canada-U.S. acid rain mitigation initiative

    SciTech Connect (OSTI)

    Baldwin, A.L.; Smith, D.N.; Mann, A.W.; McIlvried, H.G.; Russell, D.L. Sr.

    1997-12-31

    The Clean Coal Technology (CCT) Program was initiated by the US Department of Energy (DOE) in part as a response to the 1986 Joint Report of the US and Canadian Special Envoys on Acid Rain, with a particular focus on coal-burning electric power plants. The fist three solicitations of the CCT Program were aimed primarily at mitigating the potential impacts of acid rain. Subsequently, the Clean Air Act Amendments of 1990 established emission reduction targets for SO{sub 2} and No{sub x}, which influenced the goals of the last two CCT Program. This paper provides an overview of the CCT Program and reports the significant results, with emphasis on emissions reduction as well as their impact on ozone formation.

  17. S. 1234: A bill to amend the Internal Revenue Code of 1986 to provide tax relief to utilities installing acid rain reduction equipment, introduced in the Senate of the United States, One Hundred Second Congress, First Session, June 6, 1991

    SciTech Connect (OSTI)

    Not Available

    1991-01-01

    The bill would allow a tax credit of 6 2/3% of a taxpayer's investment in qualified acid rain control equipment for each of the three years beginning the year the equipment is placed in service. Additionally, a tax credit would be allowed during two years of construction progress, the amount being 6 2/3% of construction expenditures. The bill describes qualified acid rain property', tax-exempt financing of acid rain control property, tax credit for minerals used to reduce the sulfur in coal, coal cleaning minerals credit, exclusion from gross income of receipt of qualified Clean Air allowance and proceeds of disposition thereof, qualified Clean Air allowances, and amortization of acid rain control property.

  18. Rain Gauges Handbook

    SciTech Connect (OSTI)

    Bartholomew, M. J.

    2016-01-01

    To improve the quantitative description of precipitation processes in climate models, the Atmospheric Radiation Measurement (ARM) Climate Research Facility deployed rain gauges located near disdrometers (DISD and VDIS data streams). This handbook deals specifically with the rain gauges that make the observations for the RAIN data stream. Other precipitation observations are made by the surface meteorology instrument suite (i.e., MET data stream).

  19. ARM - Lesson Plans: Acid Rain

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

    Barrow, Alaska Tropical Western Pacific Site Tours Contacts Students Study Hall About ARM Global Warming FAQ Just for Fun Meet our Friends Cool Sites Teachers Teachers' Toolbox ...

  20. Effects of Si/Al Ratio on Cu/SSZ-13 NH3-SCR Catalysts: Implications for the active Cu species and the Roles of Brønsted Acidity

    SciTech Connect (OSTI)

    Gao, Feng; Washton, Nancy M.; Wang, Yilin; Kollar, Marton; Szanyi, Janos; Peden, Charles HF

    2015-09-03

    Cu/SSZ-13 catalysts with three Si/Al ratios of 6, 12 and 35 were synthesized with Cu incorporation via solution ion exchange. The implications of varying Si/Al ratios on the nature of the multiple Cu species that can be present in the SSZ-13 zeolite are a major focus of this work, as highlighted by the results of a variety of catalyst characterization and reaction kinetics measurements. Specifically, catalysts were characterized with surface area/pore volume measurements, temperature programmed reduction by H2 (H2-TPR), NH3 temperature programmed desorption (NH3-TPD), and DRIFTS and solid-state nuclear magnetic resonance (NMR) spectroscopies. Catalytic properties were examined using NO oxidation, ammonia oxidation, and standard ammonia selective catalytic reduction (NH3-SCR) reactions on selected catalysts under differential conditions. Besides indicating possible variably active multiple Cu species for these reactions, the measurements are also used to untangle some of the complexities caused by the interplay between redox of Cu ion centers and Brønsted acidity. All three reactions appear to follow a redox reaction mechanism, yet the roles of Brønsted acidity are quite different. For NO oxidation, increasing Si/Al ratio lowers Cu redox barriers, thus enhancing reaction rates. Brønsted acidity appears to play essentially no role for this reaction. For standard NH3-SCR, residual Brønsted acidity plays a significant beneficial role at both low- and high-temperature regimes. For NH3 oxidation, no clear trend is observed suggesting both Cu ion center redox and Brønsted acidity play important and perhaps competing roles. The authors gratefully acknowledge the US Department of Energy (DOE), Energy Efficiency and Renewable Energy, Vehicle Technologies Office for the support of this work. The research described in this paper was performed in the Environmental Molecular Sciences Laboratory (EMSL), a national scientific user facility sponsored by the DOE’s Office of

  1. Singin' in the Rain

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

    Singin' in the Rain News News Home Featured Articles 2016 2015 2014 2013 2012 2011 2010 2009 2008 2007 2006 2005 Science Headlines Science Highlights Presentations & Testimony News Archives Communications and Public Affairs Contact Information Office of Science U.S. Department of Energy 1000 Independence Ave., SW Washington, DC 20585 P: (202) 586-5430 11.25.13 Singin' in the Rain Ultra water-repellent material developed at Brookhaven Lab may lead to many warming applications. Print Text

  2. Rain sampling device

    DOE Patents [OSTI]

    Nelson, D.A.; Tomich, S.D.; Glover, D.W.; Allen, E.V.; Hales, J.M.; Dana, M.T.

    1991-05-14

    The present invention constitutes a rain sampling device adapted for independent operation at locations remote from the user which allows rainfall to be sampled in accordance with any schedule desired by the user. The rain sampling device includes a mechanism for directing wet precipitation into a chamber, a chamber for temporarily holding the precipitation during the process of collection, a valve mechanism for controllably releasing samples of the precipitation from the chamber, a means for distributing the samples released from the holding chamber into vessels adapted for permanently retaining these samples, and an electrical mechanism for regulating the operation of the device. 11 figures.

  3. Rain sampling device

    DOE Patents [OSTI]

    Nelson, Danny A.; Tomich, Stanley D.; Glover, Donald W.; Allen, Errol V.; Hales, Jeremy M.; Dana, Marshall T.

    1991-01-01

    The present invention constitutes a rain sampling device adapted for independent operation at locations remote from the user which allows rainfall to be sampled in accordance with any schedule desired by the user. The rain sampling device includes a mechanism for directing wet precipitation into a chamber, a chamber for temporarily holding the precipitation during the process of collection, a valve mechanism for controllably releasing samples of said precipitation from said chamber, a means for distributing the samples released from the holding chamber into vessels adapted for permanently retaining these samples, and an electrical mechanism for regulating the operation of the device.

  4. NNSA Procurement Projects Perspective - Bob Raines, Associate...

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

    Projects Perspective - Bob Raines, Associate Administrator for Acquisition and Project Management, NNSA NNSA Procurement Projects Perspective - Bob Raines, Associate Administrator ...

  5. Rain Gauge Instrument Handbook

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

    10 Rain Gauge Instrument Handbook MJ Bartholomew January 2016 DISCLAIMER This report was prepared as an account of work sponsored by the U.S. Government. Neither the United States nor any agency thereof, nor any of their employees, makes any warranty, express or implied, or assumes any legal liability or responsibility for the accuracy, completeness, or usefulness of any information, apparatus, product, or process disclosed, or represents that its use would not infringe privately owned rights.

  6. Category:Concord, NH | Open Energy Information

    Open Energy Info (EERE)

    16 files are in this category, out of 16 total. SVFullServiceRestaurant Concord NH Public Service Co of NH.png SVFullServiceRestauran... 74 KB SVHospital Concord NH Public...

  7. Optical Rain Gauge Instrument Handbook

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

    3 Optical Rain Gauge Instrument Handbook MJ Bartholomew April 2016 DISCLAIMER This report was prepared as an account of work sponsored by the U.S. Government. Neither the United States nor any agency thereof, nor any of their employees, makes any warranty, express or implied, or assumes any legal liability or responsibility for the accuracy, completeness, or usefulness of any information, apparatus, product, or process disclosed, or represents that its use would not infringe privately owned

  8. DOE - Office of Legacy Management -- R Brew Co - NH 01

    Office of Legacy Management (LM)

    Brew Co - NH 01 FUSRAP Considered Sites Site: R. BREW CO. (NH.01 ) Eliminated from consideration under FUSRAP Designated Name: Not Designated Alternate Name: None Location: Concord , New Hampshire NH.01-1 Evaluation Year: 1994 NH.01-2 Site Operations: Conducted vacuum furnace tests using uranium and copper billets. NH.01-1 NH.01-3 Site Disposition: Eliminated - Potential for contamination remote NH.01-2 Radioactive Materials Handled: Yes Primary Radioactive Materials Handled: Uranium NH.01-1

  9. Dimethyl sulfide in the Amazon rain forest

    SciTech Connect (OSTI)

    Jardine, Kolby; Yanez-Serrano, A. M.; Williams, J.; Kunert, N.; Jardine, A.; Taylor, T.; Abrell, L.; Artaxo, Paulo; Guenther, Alex B.; Hewitt, C. N.; House, E.; Florentino, A. P.; Manzi, A.; Higuchi, N.; Kesselmeier, J.; Behrendt, T.; Veres, P. R.; Derstroff, B.; Fuentes, J.; Martin, Scot T.; Andreae, M. O.

    2015-01-01

    Surface-to-atmosphere emissions of dimethyl sulfide (DMS) may impact global climate 44 through the formation of gaseous sulfuric acid, which can yield secondary sulfate 45 aerosols and contribute to new particle formation. While oceans are generally 46 considered the dominant source of DMS, a shortage of ecosystem observations prevents 47 an accurate analysis of terrestrial DMS sources. Using mass spectrometry, we quantified 48 ambient DMS mixing ratios within and above a primary rainforest ecosystem in the 49 central Amazon Basin in real-time (2010-2011) and at high vertical resolution (2013-50 2014). Elevated but highly variable DMS mixing ratios were observed within the 51 canopy, showing clear evidence of a net ecosystem source to the atmosphere during 52 both day and night in both the dry and wet seasons. Periods of high DMS mixing ratios 53 lasting up to 8 hours (up to 160 ppt) often occurred within the canopy and near the 54 surface during many evenings and nights. Daytime gradients showed mixing ratios (up 55 to 80 ppt) peaking near the top of the canopy as well as near the ground following a rain 56 event. The spatial and temporal distribution of DMS suggests that ambient levels and 57 their potential climatic impacts are dominated by local soil and plant emissions. A soil 58 source was confirmed by measurements of DMS emission fluxes from Amazon soils as 59 a function of temperature and soil moisture. Furthermore, light and temperature 60 dependent DMS emissions were measured from seven tropical tree species. Our study 61 has important implications for understanding terrestrial DMS sources and their role in 62 coupled land-atmosphere climate feedbacks. 63

  10. Measurement and Modeling of Spatial NH3 Storage Distributions...

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

    Modeling of Spatial NH3 Storage Distributions in a Commercial Small Port Cu Zeolite Urea SCR Catalyst Measurement and Modeling of Spatial NH3 Storage Distributions in a Commercial ...

  11. Heavy rains hamper Louisiana gas line

    SciTech Connect (OSTI)

    Horner, C.

    1983-06-01

    Despite heavy rains and flooding a 36-mile gas pipeline loop for Transcontinental Gas Pipe Line Corp. was completed from north of Starks (at the end of Transco's south Louisiana lateral) to the Lake Charles area. Somastic-coated, 42-in. grade X-60 pipe comprises 90% of the route. The contract included multiple 30-42 in. fabrications, installation of six 42-in. gate valves, and expansion of the Gillis compressor station.

  12. Sandia National Laboratories: Let it rain

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

    Let it rain By Karli Massey Thursday, September 01, 2016 Sandia's clean water stewards focus on stormwater runoff Sandia experts, students explore mechanical challenges at summer institute Environmental technical professional John Kay (4141) inspects a construction site at Sandia before a storm to ensure proper protection measures are in place near stormwater drains. Monsoon season is well underway in New Mexico and other areas across the Southwest. The flash floods caused by monsoon storms

  13. Incentive mechanisms as a strategic option for acid rain compliance

    SciTech Connect (OSTI)

    South, D.W.; Bailey, K.A.; McDermott, K.A.

    1991-01-01

    Title IV of the Clean Air Act Amendments (CAAA) of 1990 (P.L. 101--549) establishes the use of flexible emission compliance strategies for electric utilities to reduce the emissions of add precursors (SO[sub 2], NO[sub 2]). To control SO[sub 2] emissions, tradeable emission allowances will be used; NO[sub 2] emissions will be controlled by an emission standard, but a utility is permitted to average NO[sub 2] emissions systemwide to meet the standard. Both of these policies promote flexibility and cost savings for the utility while achieving the prescribed emission reduction goals of P.L. 101--549. The use of SO[sub 2] emission allowances has two notable benefits: A utility has the choice of a wide range of compliance methods allowing it to minimize compliance costs and second; the use of transferable emission allowances promote technological innovation with respect to emissions reduction/control. This report discusses the use of regulatory incentives towards the achievement of a Title IV goal of cost reduction of SO[sub 2] emissions.

  14. Incentive mechanisms as a strategic option for acid rain compliance

    SciTech Connect (OSTI)

    South, D.W.; Bailey, K.A.; McDermott, K.A.

    1991-12-31

    Title IV of the Clean Air Act Amendments (CAAA) of 1990 (P.L. 101--549) establishes the use of flexible emission compliance strategies for electric utilities to reduce the emissions of add precursors (SO{sub 2}, NO{sub 2}). To control SO{sub 2} emissions, tradeable emission allowances will be used; NO{sub 2} emissions will be controlled by an emission standard, but a utility is permitted to average NO{sub 2} emissions systemwide to meet the standard. Both of these policies promote flexibility and cost savings for the utility while achieving the prescribed emission reduction goals of P.L. 101--549. The use of SO{sub 2} emission allowances has two notable benefits: A utility has the choice of a wide range of compliance methods allowing it to minimize compliance costs and second; the use of transferable emission allowances promote technological innovation with respect to emissions reduction/control. This report discusses the use of regulatory incentives towards the achievement of a Title IV goal of cost reduction of SO{sub 2} emissions.

  15. Rain Gauges Handbook (Technical Report) | SciTech Connect

    Office of Scientific and Technical Information (OSTI)

    Title: Rain Gauges Handbook To improve the quantitative description of precipitation processes in climate models, the Atmospheric Radiation Measurement (ARM) Climate Research ...

  16. Microsoft PowerPoint - 16.0855_Raines Draft Rev 4 | Department...

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

    55Raines Draft Rev 4 Microsoft PowerPoint - 16.0855Raines Draft Rev 4 PDF icon Microsoft PowerPoint - 16.0855Raines Draft Rev 4 More Documents & Publications Enhancing Earned...

  17. A Cleansing Rain Falls; a Soil-Filled Mist Arises

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

    A Cleansing Rain Falls; a Soil-Filled Mist Arises A Cleansing Rain Falls; a Soil-Filled Mist Arises Print Wednesday, 10 August 2016 00:00 Rain's reputation for cleansing the air may come with a caveat after new findings show that they play a role in generating airborne organic particles. The surprising results show that when droplets hit the dirt, particularly in grasslands and tilled fields, they launch a mist of microscopic particles into the air. The mechanism begins as organic matter in the

  18. Soliton rains in a fiber laser: An experimental study

    SciTech Connect (OSTI)

    Chouli, Souad; Grelu, Philippe

    2010-06-15

    Rains of solitons constitute a class of nonlinear dynamics of dissipative soliton ensembles that we briefly reported in Opt. Express 17, 11776 (2009) from a fiber laser experiment. The existence of a relatively intense noisy background together with several tens of soliton pulses aggregated in a condensed soliton phase constitutes a necessary condition for their appearance. New soliton pulses form spontaneously from the background fluctuations and drift until they reach the condensed soliton phase. We here relate in detail the experimental conditions under which soliton rains manifest and their key features, describe related dynamics observed in their vicinity, and propose an explanation for soliton rain dynamics.

  19. Rain or Shine: We Cycle for Science | Department of Energy

    Energy Savers [EERE]

    We raced through the rain for the rest of Iowa and Illinois to reach the Indiana border. We taught our next class at the La Porte Public Library, which -- like the Sacramento ...

  20. Solar Decathlon: Rain and Shine | Department of Energy

    Energy Savers [EERE]

    Solar Decathlon: Rain and Shine October 20, 2009 - 7:00am Addthis Drew Bittner WriterEditor, Office of Energy Efficiency and Renewable Energy Friday marked the end of the Solar ...

  1. ARM - Field Campaign - Rain Microphysics Study with Disdrometer...

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

    to hear from you Send us a note below or call us at 1-888-ARM-DATA. Send Campaign : Rain Microphysics Study with Disdrometer and Polarization Radar 2005.04.28 - 2005.06.30 Lead...

  2. Public Service Co of NH | Open Energy Information

    Open Energy Info (EERE)

    EversourceNH Outage Hotline: 800-662-7764 Outage Map: www.eversource.comContentgen Green Button Access: Implemented Green Button Landing Page: www.psnh.comSaveEnergyMo...

  3. Secretary Bodman Highlights President Bush's Solar America Initiative in Merrimack, NH

    Broader source: Energy.gov [DOE]

    MERRIMACK , NH - Department of Energy (DOE) Secretary Samuel W. Bodman joined Representatives Jeb Bradley (NH-1st) and Charles Bass (NH-2nd) to highlight President Bush's Solar America Initiative,...

  4. Electrocatalytic Hydrogen Production by [Ni(7PPh2NH)2]2+: Removing the Distinction Between Endo- and Exo- Protonation Sites

    SciTech Connect (OSTI)

    Brown, Houston JS; Wiese, Stefan; Roberts, John A.; Bullock, R. Morris; Helm, Monte L.

    2015-04-03

    A new Ni(II) complex, [Ni(7PPh2NH)2]2+ (7PPh2NH = 3,6-triphenyl-1-aza-3,6-diphosphacycloheptane) has been synthesized, and its electrochemical properties are reported. The 7PPh2NH ligand features an NH, ensuring properly positioned protonated amine groups (NH+) for electrocatalysis, regardless of whether protonation occurs exo- or endo- to the metal center. The compound is an electrocatalyst for H2 production in the presence of organic acids (pKa range 1013 in CH3CN) with turnover frequencies ranging from 160770 s-1 at overpotentials between 320470 mV, as measured at the half peak potential of the catalytic wave. In stark contrast to [Ni(PR2NR'2)2]2+ and other [Ni(7PPh2NR')]2+ complexes, catalytic turnover frequencies for H2 production by [Ni(7PPh2NH)2]2+ do not show catalytic rate enhancement upon the addition of H2O. This finding supports the assertion that [Ni(7PPh2NH)2]2+ eliminates the distinction between the endo- and exo-protonation isomers. This research was supported as part of the Center for Molecular Electrocatalysis, an Energy Frontier Research Center funded by the U.S. Department of Energy, Office of Science, Office of Basic Energy Sciences. Pacific Northwest National Laboratory is operated by Battelle for the U.S. Department of Energy.

  5. Selective Catalytic Reduction of NO by NH3 with WO3-TiO2 Catalysts: Influence of Catalyst Synthesis Method

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

    He, Yuanyuan; Ford, Michael E.; Zhu, Minghui; Liu, Qingcai; Wu, Zili; Wachs, Israel E.

    2016-02-02

    A series of supported WO3/TiO2 catalysts was prepared by a new synthesis procedure involving co-precipitation of an aqueous TiO(OH)2 and (NH4)10W12O41*5H2O slurry under controlled pH conditions. The morphological properties, molecular structures, surface acidity and surface chemistry of the supported WO3/TiO2 catalysts were determined with BET, in situ Raman, in situ IR and temperature-programmed surface reaction (TPSR) spectroscopy, respectively. Isotopic 18O-16O exchange demonstrated that tungsten oxide was exclusively present as surface WOx species on the TiO2 support with mono-oxo W=O coordination. In contrast to previous studies employing impregnation synthesis that found only surface one mono-oxo O=WO4 site on TiO2, the co-precipitationmore » procedure resulted in the formation of two distinct surface WOx species: mono-oxo O=WO4 (~1010-1017 cm-1) on low defect density patches of TiO2 and a second mono-oxo O=WO4 (~983-986 cm-1) on high defect density patches of TiO2. The concentration of the second WOx surface species increases as a function of solution pH. Both surface WOx sites, however, exhibited the same NO/NH3 SCR reactivity. The co-precipitated WO3-TiO2 catalysts synthesized in alkaline solutions exhibited enhanced performance for the NO/NH3 SCR reaction that is ascribed to the greater number of surface defects on the resulting TiO2 support. For the co-precipitated catalyst prepared at pH10, surface NH4+ species on Br nsted acid sites were found to be more reactive than surface NH3* species on Lewis acid sites for SCR of NO with NH3.« less

  6. Grants to Help N.H. Towns Conserve Energy | Department of Energy

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

    Grants to Help N.H. Towns Conserve Energy Grants to Help N.H. Towns Conserve Energy March 19, 2010 - 4:17pm Addthis New Hampshire has a plan to lower expenses and create jobs, all ...

  7. Inhibitory effect of high NH{sub 4}{sup +}–N concentration on anaerobic biotreatment of fresh leachate from a municipal solid waste incineration plant

    SciTech Connect (OSTI)

    Liu, Zhao; Dang, Yan; Li, Caihua; Sun, Dezhi

    2015-09-15

    Highlights: • High NH{sub 4}{sup +}–N concentrations inhibit anaerobic treatment of leachate. • Inhibitory effect of NH{sub 4}{sup +}–N concentrations on anaerobic granular sludge is reversible. • High NH{sub 4}{sup +}–N concentrations inhibit bioactivities of microorganisms instead of survival. - Abstract: Fresh leachate from municipal solid waste (MSW) incineration plants generally contains extremely high NH{sub 4}{sup +}–N concentration which could inhibit the bioactivity of microorganisms. The inhibitory effect of high NH{sub 4}{sup +}–N concentration on anaerobic biotreatment of fresh leachate from a MSW incineration plant in China has been investigated in this study. The inhibition processes was studied by both static tests and a laboratory-scale expanded granular sludge bed (EGSB) reactor. The specific methanogenic activity (SMA) of the microorganisms in anaerobic granular sludge was inhibited with the NH{sub 4}{sup +}–N concentration increasing to 1000 mg/L in static tests. As well the chemical oxygen demand (COD) removal efficiency and the methane yield decreased in the EGSB reactor, while the volatile fatty acids (VFAs) accumulated and extracellular polymeric substances (EPS) of the anaerobic granular sludge increased with NH{sub 4}{sup +}–N concentration rising to 1000 mg/L, without any rebounding during 30 days of operation. Decreasing NH{sub 4}{sup +}–N concentration to 500 mg/L in influent, the COD removal efficiency recovered to about 85% after 26 days. 1000 mg/L of NH{sub 4}{sup +}–N in leachate was suggested to be the inhibition threshold in EGSB reactor. High-throughput sequencing results showed little changes in microbial communities of the sludge for a high NH{sub 4}{sup +}–N concentration, indicating that the survival of most microorganisms was not affected under such a condition. It inhibited the bioactivity of the microorganisms, resulting in decrease of the COD removal efficiency.

  8. Light rain events change over North America, Europe and Asia for 1973-2009

    SciTech Connect (OSTI)

    Qian, Yun; Gong, Daoyi; Leung, Lai-Yung R.

    2010-10-28

    Long-term daily precipitation data from NCDC are used to investigate the changes of light rain events from 1973-2009 over North America, Europe and Asia. Results reveal that the trend of light rain events presents a remarkably diverse feature in different regions, while an overall decrease trend can be found over the continents in northern hemisphere. In North America, most of stations show a decrease trend for light rain on the annual basis but a decrease trend can also be found for moderate and heavy rain. The opposite trends are observed over the stations in Europe and the trend of light rain is not significant when averaged for all the stations. In Asia, especially East Asia, the light rain days show an overwhelming decrease trend with high spatial coherency. Meanwhile the moderate and heavy rain events (> 10 mm/day) have increased, suggesting a remarkable shift of precipitation from light to heavy rain in East Asia. While both the warming at a global scale and increased atmospheric aerosols due to air pollution at a regional scale (e.g. East Asia) may have affected the light rain changes, it remains a challenging task to quantitatively detect and separate the cause of light rain changes in different regions. ?

  9. Survival and distribution of Vibrio cholerae in a tropical rain forest stream

    SciTech Connect (OSTI)

    Perez-Rosas, N.; Hazen, T.C.

    1988-12-31

    For 12 months Vibrio cholerae and fecal coliforms were monitored along with 9 other water quality parameters at 12 sites in a rain forest watershed in Puerto Rico. Densities of V. cholerae and fecal coliforms were not significantly correlated even though the highest densities of both bacteria were found at a sewage outfall. High densities of V. cholerae were also found at pristine sites high in the watershed. V. cholerae and Escherichia coli were inoculated into membrane diffusion chambers, placed at two sites and monitored for 5 days on two different occasions. Two different direct count methods indicated that the density of E. coli and V. cholerae did not change significantly during the course of either study. Physiological activity, as measured by INT-reduction and relative nucleic acid composition declined for E. coli during the first 12 h then increased and remained variable during the remainder of the study. V. cholerae activity, as measured by relative nucleic acid concentrations, remained high and unchanged for the entire study. INT-reduction in V. cholerae declined initially but regained nearly all of it`s original activity within 48 h. This study suggests that V. cholerae is an indigenous organism in tropical freshwaters and that assays other than fecal coliforms or E. coli must be used for assessing public health risk in tropical waters.

  10. Microsoft PowerPoint - 16.0855_Raines Draft Rev 4

    Energy Savers [EERE]

    Management Update Project Management Update Bob Raines Director, Project Management Systems and Assessments * Everybody's Favorite Subject Cost Estimating * Cost Estimating * EVMS...

  11. Array-type NH.sub.3 sensor

    DOE Patents [OSTI]

    West, David Lawrence; Montgomery, Frederick Charles; Armstrong, Timothy R; Warmack, Robert J

    2013-12-31

    An array-type sensor that senses NH.sub.3 includes non-Nernstian sensing elements constructed from metal and/or metal-oxide electrodes on an O.sub.2 ion conducting substrate. In one example sensor, one electrode may be made of platinum, another electrode may be made of manganese (III) oxide (Mn.sub.2O.sub.3), and another electrode may be made of tungsten trioxide (WO.sub.3). Some sensing elements may further include an electrode made of La.sub.0.6Sr.sub.0.4Co.sub.0.2Fe.sub0.8O.sub.3 and another electrode made of LaCr.sub.0.95.Mg.sub.0.05O.sub.3.

  12. Hollow-fiber gas-membrane process for removal of NH{sub 3} from solution of NH{sub 3} and CO{sub 2}

    SciTech Connect (OSTI)

    Qin, Y.; Cabral, J.M.S.; Wang, S.

    1996-07-01

    A hollow-fiber supported gas membrane process for the separation of NH{sub 3} from aqueous solutions containing both NH{sub 3} and CO{sub 2} was investigated theoretically and experimentally. A lumen laminar flow and radial diffusion model was applied to calculate the membrane wall transfer coefficient from the data stripping a single volatile component, NH{sub 3} or CO{sub 2}, from their individual aqueous solutions. Influence of the type of membranes and operating conditions on mass-transfer rate were discussed, especially the influence of the membrane transfer coefficient on the film mass-transfer coefficient in the lumen. Appropriate configurations of the hollow-fiber modules for stripping of a single component were analyzed to optimize mass transfer. To predict the stripping of NH{sub 3} from a solution containing NH{sub 3} and CO{sub 2}, a mathematical model incorporating local chemical equilibria and Nernst-Planck diffusion was developed to describe the mass transport. The models described the experimental data fairly well. The experimental results showed that the supported gas membrane process can be used to remove NH{sub 3} effectively from aqueous media containing NH{sub 3} and CO{sub 2}.

  13. Modeling Study of SCR/PGM Interactions in NH3 Slip Catalysts | Department

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

    of Energy Study of SCR/PGM Interactions in NH3 Slip Catalysts Modeling Study of SCR/PGM Interactions in NH3 Slip Catalysts The focus of this research is on the optimization of NH3 slip catalyst performance by simulating the behavior of different SCR/PGM configurations. p-19_nova.pdf (250.42 KB) More Documents & Publications Experimental and Modelling Study of the Effect of Diffusional Limitations on the NH3 SCR Activity Selective ammonia slip catalyst enabling highly efficient NOx

  14. EA-1801: Granite Reliable Power Wind Park Project in Coos County, NH |

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

    Department of Energy 01: Granite Reliable Power Wind Park Project in Coos County, NH EA-1801: Granite Reliable Power Wind Park Project in Coos County, NH June 25, 2010 EA-1801: Final Environmental Impact Granite Reliable Power Wind Project, Coos County, New Hampshire July 23, 2010 EA-1801: Finding of No Significant Impact Granite Reliable Power Wind Project, Coos County, New Hampshire

  15. Simulation of an Ar/NH{sub 3} low pressure magnetized direct current discharge

    SciTech Connect (OSTI)

    Li Zhi [School of Science, University of Science and Technology Liaoning, Anshan 114051 (China); School of Physics and Optoelectronic Engineering, Dalian University of Technology, Dalian 116024 (China); Zhao Zhen [School of Chemistry and Life Science, Anshan Normal University, Anshan 114007 (China); School of Chemical Engineering, University of Science and Technology Liaoning, Anshan 114051 (China); Li Xuehui [Physiccal Science and Technical College, Dalian University, Dalian 116622 (China)

    2013-01-15

    A two-dimensional fluid model has been used to investigate the properties of plasma in an Ar/NH{sub 3} low pressure magnetized direct current discharge. We compared the simulation results with the theoretical and experimental results of the other gas discharge in which the magnetic field is considered. Results that obtained using this method are in good agreement with literature. The simulation results show that the positive ammonia ion density follows the positive argon ion density. The Ar{sub 2}{sup +} density is slightly higher than the Ar{sup +} density at 100 mTorr. The largest ammonia ion is NH{sub 3}{sup +} ion, followed by NH{sub 2}{sup +}, NH{sub 4}{sup +}, and NH{sup +} ions. The contribution of NH{sup +} ions to the density of the positive ammonia ions is marginal. The influence of pressure on the plasma discharge has been studied by simulation, and the mechanisms have been discussed. The average plasma density increases as pressure increased. The plasma density appears to be more inhomogeneous than that at the lower pressure. The ratio of charge particles changed as pressure increased. The Ar{sup +} density is slightly higher than the Ar{sub 2}{sup +} density as the pressure increased. It makes NH{sub 4}{sup +} ratio increase as pressure increased. It shows that the electron temperature drops with rising pressure by numerical calculation.

  16. Universal multrifractals: Theory and observations for rain and clouds

    SciTech Connect (OSTI)

    Tessier, Y.; Lovejoy, S.; Schertzer, D. )

    1993-02-01

    The standard model of atmospheric motions divides the atmosphere into distinct two- and three-dimensional isotropic turbulent regimes separated by a dimensional transition, the [open quotes]mesoscale gap.[close quotes] It is argued that the [open quotes]gap[close quotes] is fictional and that the atmosphere is scaling but anisotropic at all scales. According to this alternative unified scaling model, the dynamics are governed by anisotropic (differentially stratified and rotating) cascade processes yielding highly variable multifractal fields. Just as Gaussian random variables are associated with (linear) sums of random variables, these (nonlinear) multiplicative processes are generically associated with (special) universal multifractals in which many of the details of the dynamics are irrelevant. Although an attempt is made to outline these arguments in a widely accessible form, they are not new to this paper; they provide its context and motivation. The principal purpose of this paper is to test these ideas empirically. This is done using Landsat, NOAA-9, and Metcosat cloud radiances at visible, near-infrared, and thermal infrared wavelengths with length scales spanning the range-166 m-4000 km, radar reflectivities of rain (in the horizontal, vertical, and time), and global daily rainfall accumulations. Spectral analysis, as well as the new double trace moment data-analysis technique, is applied. In each case, rather than the sharp dimensional transition predicted by the standard model, the scaling is found to be relatively well respected right through the mesoscale. The three fundamental universal multifractal exponents are then estimated and one can go on to outline how these exponents (with the help of appropriate space-time transformations) can be used to make dynamic multifractal models. 87 refs., 34 figs., 2 tabs.

  17. NH3 generation over commercial Three-Way Catalysts and Lean-NOx...

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

    over commercial Three-Way Catalysts and Lean-NOx Traps NH3 generation over commercial Three-Way Catalysts and Lean-NOx Traps Research to identify most promising catalytic ...

  18. Crystal structure and characterization of the novel NH{sup +} Midline-Horizontal-Ellipsis N hydrogen bonded polar crystal [NH{sub 2}(CH{sub 2}){sub 4}NH][BF{sub 4}

    SciTech Connect (OSTI)

    Wojtas, M.; Gagor, A.; Czupinski, O.; Medycki, W.; Jakubas, R.

    2012-03-15

    Dielectric properties and phase transitions of the piperazinium tetrafluoroborate ([NH{sub 2}(CH{sub 2}){sub 4}NH][BF{sub 4}], abbreviated as PFB) crystal are related to the one-dimensional arrangement of the cations linked by the bistable NH{sup +} Midline-Horizontal-Ellipsis N hydrogen bonds and molecular motions of the [BF{sub 4}]{sup -} units. The crystal structure of [NH{sub 2}(CH{sub 2}){sub 4}NH][BF{sub 4}] is monoclinic at room temperature with the polar space group Pn. The polar/acentric properties of the room temperature phase IV have been confirmed by the piezoelectric and pyroelectric measurements. DSC measurements show that the compound undergoes three first-order structural phase transitions: at 421/411 K (heating/cooling), at 386/372 K and at 364/349 K. {sup 1}H and {sup 19}F NMR measurements indicate the reorientational motions of [BF{sub 4}]{sup -} anions and piperazinium(+) cations as well as the proton motion in the hydrogen-bonded chains of piperazine along the [001] direction. Over the phase I the isotropic reorientational motions or even self-diffusion of the cations and anions are expected. The conductivity measurements in the vicinity of the II-I PT indicate a superionic phase over the phase I. - Graphical abstract: It must be emphasized that the titled compound represents the first organic-inorganic simple salt containing the single-protonated piperazinium cation which was studied by means of the wide variety of experimental techniques. A survey of Cambridge Structural Database (CSD version 5.32 (November 2010) and updates (May 2011)) for structure containing the piperazinium cations yields 248 compounds with the doubly protonated piperazinium(2+) cations and only eight compounds with the singly protonated piperazinium(+) cations. Among these structures only one is the hybrid organic-inorganic material. This is piperazinium nitrate characterized structurally. The crystal packing of [NH{sub 2}(CH{sub 2}){sub 4}NH][BF{sub 4}], phase IV. The

  19. Dimethyl sulfide in the Amazon rain forest: DMS in the Amazon

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

    Jardine, K.; Yañez-Serrano, A. M.; Williams, J.; Kunert, N.; Jardine, A.; Taylor, T.; Abrell, L.; Artaxo, P.; Guenther, A.; Hewitt, C. N.; et al

    2015-01-08

    Surface-to-atmosphere emissions of dimethyl sulfide (DMS) may impact global climate 44 through the formation of gaseous sulfuric acid, which can yield secondary sulfate 45 aerosols and contribute to new particle formation. While oceans are generally 46 considered the dominant source of DMS, a shortage of ecosystem observations prevents 47 an accurate analysis of terrestrial DMS sources. Using mass spectrometry, we quantified 48 ambient DMS mixing ratios within and above a primary rainforest ecosystem in the 49 central Amazon Basin in real-time (2010-2011) and at high vertical resolution (2013-50 2014). Elevated but highly variable DMS mixing ratios were observed within themore » 51 canopy, showing clear evidence of a net ecosystem source to the atmosphere during 52 both day and night in both the dry and wet seasons. Periods of high DMS mixing ratios 53 lasting up to 8 hours (up to 160 ppt) often occurred within the canopy and near the 54 surface during many evenings and nights. Daytime gradients showed mixing ratios (up 55 to 80 ppt) peaking near the top of the canopy as well as near the ground following a rain 56 event. The spatial and temporal distribution of DMS suggests that ambient levels and 57 their potential climatic impacts are dominated by local soil and plant emissions. A soil 58 source was confirmed by measurements of DMS emission fluxes from Amazon soils as 59 a function of temperature and soil moisture. Furthermore, light and temperature 60 dependent DMS emissions were measured from seven tropical tree species. Our study 61 has important implications for understanding terrestrial DMS sources and their role in 62 coupled land-atmosphere climate feedbacks. 63« less

  20. Dimethyl sulfide in the Amazon rain forest: DMS in the Amazon

    SciTech Connect (OSTI)

    Jardine, K.; Yaez-Serrano, A. M.; Williams, J.; Kunert, N.; Jardine, A.; Taylor, T.; Abrell, L.; Artaxo, P.; Guenther, A.; Hewitt, C. N.; House, E.; Florentino, A. P.; Manzi, A.; Higuchi, N.; Kesselmeier, J.; Behrendt, T.; Veres, P. R.; Derstroff, B.; Fuentes, J. D.; Martin, S. T.; Andreae, M. O.

    2015-01-08

    Surface-to-atmosphere emissions of dimethyl sulfide (DMS) may impact global climate 44 through the formation of gaseous sulfuric acid, which can yield secondary sulfate 45 aerosols and contribute to new particle formation. While oceans are generally 46 considered the dominant source of DMS, a shortage of ecosystem observations prevents 47 an accurate analysis of terrestrial DMS sources. Using mass spectrometry, we quantified 48 ambient DMS mixing ratios within and above a primary rainforest ecosystem in the 49 central Amazon Basin in real-time (2010-2011) and at high vertical resolution (2013-50 2014). Elevated but highly variable DMS mixing ratios were observed within the 51 canopy, showing clear evidence of a net ecosystem source to the atmosphere during 52 both day and night in both the dry and wet seasons. Periods of high DMS mixing ratios 53 lasting up to 8 hours (up to 160 ppt) often occurred within the canopy and near the 54 surface during many evenings and nights. Daytime gradients showed mixing ratios (up 55 to 80 ppt) peaking near the top of the canopy as well as near the ground following a rain 56 event. The spatial and temporal distribution of DMS suggests that ambient levels and 57 their potential climatic impacts are dominated by local soil and plant emissions. A soil 58 source was confirmed by measurements of DMS emission fluxes from Amazon soils as 59 a function of temperature and soil moisture. Furthermore, light and temperature 60 dependent DMS emissions were measured from seven tropical tree species. Our study 61 has important implications for understanding terrestrial DMS sources and their role in 62 coupled land-atmosphere climate feedbacks. 63

  1. Study of On-Board Ammonia (NH3) Generation for SCR Operation | Department

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

    of Energy Study of On-Board Ammonia (NH3) Generation for SCR Operation Study of On-Board Ammonia (NH3) Generation for SCR Operation The feasibility of on-board ammonia generation was examined using synthesized exhaust compositions deer09_wong.pdf (82.51 KB) More Documents & Publications On-Board Ammonia Generation Using Delphi Diesel Fuel Reformer Delphi On-board Ammonia Generation (OAG) Reductant Utilization in a LNT + SCR System

  2. Effects of Alkali and Alkaline Earth Cocations on the Activity and Hydrothermal Stability of Cu/SSZ-13 NH3-SCR Catalysts

    SciTech Connect (OSTI)

    Gao, Feng; Wang, Yilin; Washton, Nancy M.; Kollar, Marton; Szanyi, Janos; Peden, Charles HF

    2015-10-13

    Using a three-step aqueous solution ion-exchange method, cocation modified Cu/SSZ-13 SCR catalysts were synthesized. These catalysts, in both fresh and hydrothermally aged forms, were characterized with several methods including temperature-programmed reduction by H2 (H2-TPR), temperature-programmed desorption of NH3 (NH3-TPD), and 27Al solid-state nuclear magnetic resonance (NMR) and diffuse reflectance Infrared Fourier Transform (DRIFT) spectroscopies. Their catalytic performance was probed using steady-state standard NH3-SCR. Characterization results indicate that cocations weaken interactions between Cu-ions and the CHA framework making them more readily reducible. By removing a portion of Brønsted acid sites, cocations also help to mitigate hydrolysis of the zeolite catalysts during hydrothermal aging as evidenced from 27Al NMR. Reaction tests show that certain cocations, especially Li+ and Na+, promote low-temperature SCR rates while others show much less pronounced effects. In terms of applications, our results indicate that introducing cocations can be a viable strategy to improve both low- and high-temperature performance of Cu/SSZ-13 SCR catalysts.

  3. A SCR Model Calibration Approach with Spatially Resolved Measurements and NH3 Storage Distributions

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

    Song, Xiaobo; Parker, Gordon G.; Johnson, John H.; Naber, Jeffrey D.; Pihl, Josh A.

    2014-11-27

    The selective catalytic reduction (SCR) is a technology used for reducing NO x emissions in the heavy-duty diesel (HDD) engine exhaust. In this study, the spatially resolved capillary inlet infrared spectroscopy (Spaci-IR) technique was used to study the gas concentration and NH3 storage distributions in a SCR catalyst, and to provide data for developing a SCR model to analyze the axial gaseous concentration and axial distributions of NH3 storage. A two-site SCR model is described for simulating the reaction mechanisms. The model equations and a calculation method was developed using the Spaci-IR measurements to determine the NH3 storage capacity andmore » the relationships between certain kinetic parameters of the model. Moreover, a calibration approach was then applied for tuning the kinetic parameters using the spatial gaseous measurements and calculated NH3 storage as a function of axial position instead of inlet and outlet gaseous concentrations of NO, NO2, and NH3. The equations and the approach for determining the NH3 storage capacity of the catalyst and a method of dividing the NH3 storage capacity between the two storage sites are presented. It was determined that the kinetic parameters of the adsorption and desorption reactions have to follow certain relationships for the model to simulate the experimental data. Finally, the modeling results served as a basis for developing full model calibrations to SCR lab reactor and engine data and state estimator development as described in the references (Song et al. 2013a, b; Surenahalli et al. 2013).« less

  4. Structures and phases transition in hexylenediammonium pentachlorobismuthate (III) [NH{sub 3}(CH{sub 2}){sub 6}NH{sub 3}]BiCl{sub 5} crystal

    SciTech Connect (OSTI)

    Ouasri, A.; Jeghnou, H.; Rhandour, A.; Roussel, P.

    2013-04-15

    The crystal structure of [NH{sub 3}(CH{sub 2}){sub 6}NH{sub 3}]BiCl{sub 5} was determined at: 223 K [P2{sub 1}2{sub 1}2{sub 1} (Z=4), a=7.788(1), b=13.886(2), c=13.972(2) Å], 308 K [P2{sub 1}/n (Z=8), a=19.972(3), b=7.772(2), c=20.166(3) Å, β=92.32(1)°] and 378 K [Pnma (Z=4), a=13911(2), b=7.834(7), c=14.457(2) Å]. It was consisted of isolated (BiCl{sub 5}{sup 2−}){sub n} anionic chains composed by distorted octahedra BiCl{sub 6}{sup 3−} sharing two corners and {sup +}NH{sub 3}(CH{sub 2}){sub 6}NH{sub 3}{sup +} cations placed in the free cavities between anionic chains. In the β phase, there are two crystallographically inequivalent cations and two one-dimensional anionic chains (BiCl{sub 5}{sup 2−}){sub n} in which BiCl{sub 6}{sup 3−} octahedra was doubly tilted and simply tilted. Two structural phase transitions at low and high temperatures α (P2{sub 1}2{sub 1}2{sub 1}, 223 K)↔β (P2{sub 1}/n, 308 K)↔γ (Pnma, 373 K) are observed and discussed. It was crystallographically showed that both anionic and cationic entities contribute to phase transitions mechanisms. The BiCl{sub 6}{sup 3−} octahedra were found to posses significant distortions on decreasing temperature and became more distorted in α (223 K) phase. It is argued that these deformations are caused by weak to moderate N--H···Cl hydrogen bonding. - Graphical abstract: Projection of the crystal structure of [NH{sub 3}(CH{sub 2}){sub 6}NH{sub 3}]BiCl{sub 5} down the a axis at 208 K. Highlights: ► The crystal shows two phase transitions: α(223 K)↔β(308 K)↔γ(373 K). ► A discontinuous transition may be occurred between α and β phases. ► The α↔β and β↔γ phase transitions are of first order. ► Both anionic and cationic motions contribute to phase transition mechanisms. ► The BiCl{sub 6}{sup 3−} octahedra showed significant distortions on decreasing temperature.

  5. Numerical analysis of a mixture of Ar/NH{sub 3} microwave plasma chemical vapor deposition reactor

    SciTech Connect (OSTI)

    Li Zhi [School of Physics and Optoelectronic Engineering, Dalian University of Technology, Dalian 116024 (China); School of Science, University of Science and Technology Liaoning, Anshan 114051 (China); Zhao Zhen [Chemistry Department, Anshan Normal University, Anshan 114007 (China); School of Chemical Engineering, University of Science and Technology Liaoning, Anshan 114051 (China); Li Xuehui [School of Physics and Optoelectronic Engineering, Dalian University of Technology, Dalian 116024 (China); Physical Science and Technical College, Dalian University, Dalian 116622 (China)

    2012-06-01

    A two-dimensional fluid model has been used to investigate the properties of plasma in Ar/NH{sub 3} microwave electron cyclotron resonance discharge at low pressure. The electromagnetic field model solved by the three-dimensional Simpson method is coupled to a fluid plasma model. The finite difference method was employed to discrete the governing equations. 40 species (neutrals, radicals, ions, and electrons) are consisted in the model. In total, 75 electron-neutral, 43 electron-ion, 167 neutral-neutral, 129 ion-neutral, 28 ion-ion, and 90 3-body reactions are used in the model. According to the simulation, the distribution of the densities of the considered plasma species has been showed and the mechanisms of their variations have been discussed. It is found that the main neutrals (Ar*, Ar**, NH{sub 3}{sup *}, NH, H{sub 2}, NH{sub 2}, H, and N{sub 2}) are present at high densities in Ar/NH{sub 3} microwave electron cyclotron resonance discharge when the mixing ratio of Ar/NH{sub 3} is 1:1 at 20 Pa. The density of NH is more than that of NH{sub 2} atom. And NH{sub 3}{sup +} are the most important ammonia ions. But the uniformity of the space distribution of NH{sub 3}{sup +} is lower than the other ammonia ions.

  6. Thermal Durability of Cu-CHA NH3-SCR Catalysts for Diesel NOx Reduction

    SciTech Connect (OSTI)

    Schmieg, Steven J.; Oh, Se H.; Kim, Chang H.; Brown, David B.; Lee, Jong H.; Peden, Charles HF; Kim, Do Heui

    2012-04-30

    Multiple catalytic functions (NOx conversion, NO and NH3 oxidation, NH3 storage) of a commercial Cu-zeolite urea/NH3-SCR catalyst were assessed in a laboratory fixed-bed flow reactor system after differing degrees of hydrothermal aging. Catalysts were characterized by using x-ray diffraction (XRD), 27Al solid state nuclear magnetic resonance (NMR) and transmission electron microscopy (TEM) / energy dispersive X-ray (EDX) spectroscopy to develop an understanding of the degradation mechanisms during catalyst aging. The catalytic reaction measurements of laboratory-aged catalysts were performed, which allows us to obtain a universal curve for predicting the degree of catalyst performance deterioration as a function of time at each aging temperature. Results show that as the aging temperature becomes higher, the zeolite structure collapses in a shorter period of time after an induction period. The decrease in SCR performance was explained by zeolite structure destruction and/or Cu agglomeration, as detected by XRD/27Al NMR and by TEM/EDX, respectively. Destruction of the zeolite structure and agglomeration of the active phase also results in a decrease in the NO/NH3 oxidation activity and the NH3 storage capacity of the catalyst. Selected laboratory aging conditions (16 h at 800oC) compare well with a 135,000 mile vehicle-aged catalyst for both performance and characterization criteria.

  7. Photolysis of solid NH{sub 3} and NH{sub 3}-H{sub 2}O mixtures at 193 nm

    SciTech Connect (OSTI)

    Loeffler, M. J.; Baragiola, R. A.

    2010-12-07

    We have studied UV photolysis of solid ammonia and ammonia-dihydrate samples at 40 K, using infrared spectroscopy, mass spectrometry, and microgravimetry. We have shown that in the pure NH{sub 3} sample, the main species ejected are NH{sub 3}, H{sub 2}, and N{sub 2}, where the hydrogen and nitrogen increase with laser fluence. This increase in N{sub 2} ejection with laser fluence explains the increase in mass loss rate detected by a microbalance. In contrast, for the ammonia-water mixture, we see very weak signals of H{sub 2} and N{sub 2} in the mass spectrometer, consistent with the very small mass loss during the experiment and with a <5% decrease in the NH{sub 3} infrared absorption bands spectroscopy after a fluence of {approx}3 x 10{sup 19} photons/cm{sup 2}. The results imply that ammonia-ice mixtures in the outer solar system are relatively stable under solar irradiation.

  8. Photo of the Week: Rain or Shine, Preparing for the 2013 Hurricane Season |

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

    Department of Energy Rain or Shine, Preparing for the 2013 Hurricane Season Photo of the Week: Rain or Shine, Preparing for the 2013 Hurricane Season May 15, 2013 - 1:16pm Addthis President Barack Obama listens to Acting Energy Secretary Daniel B. Poneman during a meeting with electric utility CEOs and trade association representatives at the Department of Energy in Washington, D.C., May 8, 2013. The group met to discuss lessons learned during the response to Hurricane Sandy, as well as the

  9. A Review & Assessment of Current Operating Conditions Allowable Stresses in ASME Section III Subsection NH

    SciTech Connect (OSTI)

    R. W. Swindeman

    2009-12-14

    The current operating condition allowable stresses provided in ASME Section III, Subsection NH were reviewed for consistency with the criteria used to establish the stress allowables and with the allowable stresses provided in ASME Section II, Part D. It was found that the S{sub o} values in ASME III-NH were consistent with the S values in ASME IID for the five materials of interest. However, it was found that 0.80 S{sub r} was less than S{sub o} for some temperatures for four of the materials. Only values for alloy 800H appeared to be consistent with the criteria on which S{sub o} values are established. With the intent of undertaking a more detailed evaluation of issues related to the allowable stresses in ASME III-NH, the availabilities of databases for the five materials were reviewed and augmented databases were assembled.

  10. NH{sub 3} sensor based on CSA doped PANi-SnO{sub 2} nanohybrid

    SciTech Connect (OSTI)

    Khuspe, G. D.; Navale, S. T.; Chougule, M. A.; Mulik, R. N.; Godse, P. R.; Patil, V. B.; Sen, Shashwati

    2014-04-24

    The PANi-SnO{sub 2} hybrid nanocomposite based thin films doped with 10–50 wt % CSA were deposited on the glass substrates using the spin coating technique. The sensor response in relation to the CSA doping concentration and the gas concentration has been systematically studied. A significant sensitivity (91%) towards 100 ppm NH{sub 3} operating at room temperature is observed for the 30 wt % CSA doped PANi-SnO2 nanohybrid. The sensing mechanism of CSA doped PANi-SnO{sub 2} materials to NH{sub 3} was presumed to be the effect of p–n heterojunctions.

  11. Evaluation of NH3-SCR Catalyst Technology on a 250-kW Stationary Diesel

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

    Genset | Department of Energy NH3-SCR Catalyst Technology on a 250-kW Stationary Diesel Genset Evaluation of NH3-SCR Catalyst Technology on a 250-kW Stationary Diesel Genset 2005 Diesel Engine Emissions Reduction (DEER) Conference Presentations and Posters 2005_deer_malyala.pdf (164.77 KB) More Documents & Publications Two Catalyst Formulations - One Solution for NOx After-treatment Systems Engine and Reactor Evaluations of HC-SCR for Diesel NOx Reduction Development of Optimal Catalyst

  12. NH3 generation over commercial Three-Way Catalysts and Lean-NOx Traps |

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

    Department of Energy generation over commercial Three-Way Catalysts and Lean-NOx Traps NH3 generation over commercial Three-Way Catalysts and Lean-NOx Traps Research to identify most promising catalytic formulations and operation for the in-situ generation of NH3, storage on a downstream SCR catalyst, and utilized to reduce the remaining NOx deer12_toops.pdf (3.08 MB) More Documents & Publications Emissions Control for Lean Gasoline Engines Emissions Control for Lean Gasoline Engines

  13. Investigation on thermal evaporated CH{sub 3}NH{sub 3}PbI{sub 3} thin films

    SciTech Connect (OSTI)

    Li, Youzhen; Xu, Xuemei; Yang, Junliang; Wang, Chenggong; Wang, Congcong; Gao, Yongli; Xie, Fangyan

    2015-09-15

    CH{sub 3}NH{sub 3}I, PbI{sub 2} and CH{sub 3}NH{sub 3}PbI{sub 3} films were fabricated by evaporation and characterized with X-ray Photoelectron Spectroscopy (XPS) and X-ray diffraction (XRD). The XPS results indicate that the PbI{sub 2} and CH{sub 3}NH{sub 3}PbI{sub 3} films are more uniform and stable than the CH{sub 3}NH{sub 3}I film. The atomic ratio of the CH{sub 3}NH{sub 3}I, PbI{sub 2} and CH{sub 3}NH{sub 3}PbI{sub 3} films are C:N:I=1.00:1.01:0.70, Pb:I= 1.00:1.91 and C: N: Pb: I = 1.29:1.07:1.00:2.94, respectively. The atomic ratio of CH{sub 3}NH{sub 3}PbI{sub 3} is very close to that of the ideal perovskite. Small angle x-ray diffraction results demonstrate that the as evaporated CH{sub 3}NH{sub 3}PbI{sub 3} film is crystalline. The valence band maximum (VBM) and work function (WF) of the CH{sub 3}NH{sub 3}PbI{sub 3} film are about 0.85eV and 4.86eV, respectively.

  14. Synthesis and Characterization of Th2N2(NH) Isomorphous to Th2N3

    SciTech Connect (OSTI)

    Silva, G W Chinthaka M; Yeamans, Charles B.; Hunn, John D; Sattelberger, Alfred P; Czerwinski, Ken R.; Weck, Dr. Phil F

    2012-01-01

    Using a new, low-temperature, fluoride-based process, thorium nitride imide of the chemical formula Th{sub 2}N{sub 2}(NH) was synthesized from thorium dioxide via an ammonium thorium fluoride intermediate. The resulting product phase was characterized by powder X-ray diffraction (XRD) analysis and was found to be crystallographically similar to Th{sub 2}N{sub 3}. Its unit cell was hexagonal with a space group of P3m{bar 1} and lattice parameters of a = b = 3.886(1) and c = 6.185(2) {angstrom}. The presence of -NH in the nitride phase was verified by Fourier transform infrared spectroscopy (FTIR). Total energy calculations performed using all-electron scalar relativistic density functional theory (DFT) showed that the hydrogen atom in the Th{sub 2}N{sub 2}(NH) prefers to bond with nitrogen atoms occupying 1a Wyckoff positions of the unit cell. Lattice fringe disruptions observed in nanoparticle areas of the nitride species by high-resolution transmission electron microscopic (HRTEM) images also displayed some evidence for the presence of -NH group. As ThO{sub 2} was identified as an impurity, possible reaction mechanisms involving its formation are discussed.

  15. Influence of catalyst synthesis method on selective catalytic reduction (SCR) of NO by NH3 with V2O5-WO3/TiO2 catalysts

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

    He, Yuanyuan; Ford, Michael E.; Zhu, Minghui; Liu, Qingcai; Tumuluri, Uma; Wu, Zili; Wachs, Israel E.

    2016-04-14

    We compared the molecular structures, surface acidity and catalytic activity for NO/NH3/O2 SCR of V2O5-WO3/TiO2 catalysts for two different synthesis methods: co-precipitation of aqueous vanadium and tungsten oxide precursors with TiO(OH)2 and by incipient wetness impregnation of the aqueous precursors on a reference crystalline TiO2 support (P25; primarily anatase phase). Bulk analysis by XRD showed that co-precipitation results in small and/or poorly ordered TiO2(anatase) particles and that VOx and WOx do not form solid solutions with the bulk titania lattice. Surface analysis of the co-precipitated catalyst by High Sensitivity-Low Energy Ion Scattering (HS-LEIS) confirms that the VOx and WOx aremore » surface segregated for the co-precipitated catalysts. In situ Raman and IR spectroscopy revealed that the vanadium and tungsten oxide components are present as surface mono-oxo O = VO3 and O = WO4 sites on the TiO2 supports. Co-precipitation was shown for the first time to also form new mono-oxo surface VO4 and WO4 sites that appear to be anchored at surface defects of the TiO2 support. IR analysis of chemisorbed ammonia showed the presence of both surface NH3* on Lewis acid sites and surface NH4+* on Brønsted acid sites. TPSR spectroscopy demonstrated that the specific SCR kinetics was controlled by the redox surface VO4 species and that the surface kinetics was independent of TiO2 synthesis method or presence of surface WO5 sites. SCR reaction studies revealed that the surface WO5 sites possess minimal activity below ~325 °C and their primary function is to increase the adsorption capacity of ammonia. A relationship between the SCR activity and surface acidity was not found. The SCR reaction is controlled by the surface VO4 sites that initiate the reaction at ~200 °C. The co-precipitated catalysts were always more active than the corresponding impregnated catalysts. Finally, we ascribe the higher activity of the co-precipitated catalysts to the presence of

  16. (Rain)cloud computing: Researchers work to improve how we predict climate

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

    change | Argonne National Laboratory (Rain)cloud computing: Researchers work to improve how we predict climate change By Louise Lerner * March 3, 2016 Tweet EmailPrint Rao Kotamarthi and Jiali Wang spend their days looking at a future Earth. At the U.S. Department of Energy's (DOE's) Argonne National Laboratory, the two scientists work on simulations and techniques to project what the climate will look like 100 years from now. Last year, they completed the highest resolution climate forecast

  17. Theoretical investigation of HNgNH{sub 3}{sup +} ions (Ng = He, Ne, Ar, Kr, and Xe)

    SciTech Connect (OSTI)

    Gao, Kunqi; Sheng, Li

    2015-04-14

    The equilibrium geometries, harmonic frequencies, and dissociation energies of HNgNH{sub 3}{sup +} ions (Ng = He, Ne, Ar, Kr, and Xe) were investigated using the following method: Becke-3-parameter-Lee-Yang-Parr (B3LYP), Boese-Matrin for Kinetics (BMK), second-order Mller-Plesset perturbation theory (MP2), and coupled-cluster with single and double excitations as well as perturbative inclusion of triples (CCSD(T)). The results indicate that HHeNH{sub 3}{sup +}, HArNH{sub 3}{sup +}, HKrNH{sub 3}{sup +}, and HXeNH{sub 3}{sup +} ions are metastable species that are protected from decomposition by high energy barriers, whereas the HNeNH{sub 3}{sup +} ion is unstable because of its relatively small energy barrier for decomposition. The bonding nature of noble-gas atoms in HNgNH{sub 3}{sup +} was also analyzed using the atoms in molecules approach, natural energy decomposition analysis, and natural bond orbital analysis.

  18. Theoretical Investigations on the Formation and Dehydrogenation Reaction Pathways of H(NH2BH2)nH (n=1-4) Oligomers: Importance of Dihydrogen Interactions (DHI)

    SciTech Connect (OSTI)

    Li, Jun; Kathmann, Shawn M.; Hu, Han-Shi; Schenter, Gregory K.; Autrey, Thomas; Gutowski, Maciej S.

    2010-09-06

    The H(NH2BH2)nH oligomers are possible products from dehydrogenation of ammonia borane (NH3BH3) and ammonium borohydride (NH4BH4), which belong to a class of boron-nitrogen-hydrogen (BNHx) compounds that are promising materials for chemical hydrogen storage. Understanding the kinetics and reaction pathways of formation of these oligomers and their further dehydrogenation is essential for developing BNHx-based hydrogen storage materials. We have performed computational modeling using density functional theory (DFT), ab initio wavefunction theory, and Car-Parrinello molecular dynamics (CPMD) simulations on the energetics and formation pathways for the H(NH2BH2)nH (n=1-4) oligomers, polyaminoborane (PAB), from NH3BH3 monomers and the subsequent dehydrogenation steps to form polyiminoborane (PIB). Through transition state searches and evaluation of the intrinsic reaction coordinates, we have investigated the B-N bond cleavage, the reactions of NH3BH3 molecule with intermediates, dihydrogen release through intra- and intermolecular hydrogen transfer, dehydrocoupling/cyclization of the oligomers, and the dimerization of NH3BH3 molecules. We discovered the formation mechanism of H(NH2BH2)n+1H oligomers through reactions of the H(NH2BH2)nH oligomers first with BH3 followed by reactions with NH3 and the release of H2, where the BH3 and NH3 intermediates are formed through dissociation of NH3BH3. We also found that the dimerization of the NH3BH3 molecules to form c-(NH2BH2)2 is slightly exothermic, with an unexpected transition state that leads to the simultaneous release of two H2 molecules. The dehydrogenations of the oligomers are also exothermic, typically by less than 10 kcal/(mol of H2), with the largest exothermicity for n=3. The transition state search shows that the one-step direct dehydrocoupling cyclization of the oligomers is not a favored pathway because of high activation barriers. The dihydrogen bonding, in which protic (HN) hydrogens interact with hydridic

  19. Measurement and Modeling of Spatial NH3 Storage Distributions in a Commercial Small Port Cu Zeolite Urea SCR Catalyst

    Broader source: Energy.gov [DOE]

    A modified Spaci-IR technique can measure transient NH3 and NOx concentrations; data have been used to calibrate and validate an SCR model, with good agreement between experiments and simulations.

  20. Structural transitions of ternary imide Li{sub 2}Mg(NH){sub 2} for hydrogen storage

    SciTech Connect (OSTI)

    Liang, C.; Gao, M. X.; Pan, H. G. Liu, Y. F.

    2014-08-25

    Phase transitions and energetic properties of Li{sub 2}Mg(NH){sub 2} with different crystal structures are investigated by experiments and first-principles calculations. The Li{sub 2}Mg(NH){sub 2} with the primitive cubic and orthorhombic structure is obtained by dynamically dehydrogenating a Mg(NH{sub 2}){sub 2}-2LiH mixture up to 280?C under an initial vacuum and 9.0?bars H{sub 2}, respectively. It is found that the obtained orthorhombic Li{sub 2}Mg(NH){sub 2} is converted to a primitive cubic structure as the dehydrogenation temperature is further increased to 400?C or performed by a 36?h of high-energetic ball milling. Moreover, the primitive cubic phase can be converted to an orthorhombic phase after heating at 280?C under 9.0?bars H{sub 2} for 1?h. Thermodynamic calculations show that the orthorhombic phase is the ground state structure of Li{sub 2}Mg(NH){sub 2}. The mechanism for phase transitions of Li{sub 2}Mg(NH){sub 2} is also discussed from the angle of energy.

  1. The biological diversity conservation district: A rain forest conservation tool for the future

    SciTech Connect (OSTI)

    Simons, M.

    1995-12-01

    Over the next twenty years, the Earth`s rain forests may decrease by forty percent! This paper presents a revolutionary corporate entity for the protection of those forests, the biological diversity conservation district (biodistricts). The underlying cause of rain forest destruction is unfettered competition for limited resources. The competitors are many: farmers, business, local and national governments, the biotechnology and ecotourism industries, multinational companies, public utilities, and indigenous groups. To varying degrees, all compete within the marketplace. biodistricts will bring together two forces once thought to be antithetical: conservation an development. They will be set up in corporate form, owned and controlled by groups claiming access to the forest resources. Because the various groups will fight for the same resources habitats, ecosystems, and genetic diversity-each will prevent the others from destroying them. The district members will ensure that all businesses maintain sustainable development practices because the economic success of the district depends upon the area`s natural beauty and biological diversity. This paper analyzes the effects on the culture, politics, economy and conservation there. It will conclude that the comprehensive approach taken by biodistricts is the only method for solving the problem of rain forest destruction; that it is economically feasible, culturally viable, and ethically defensible. By March 1, 1995, the paper will represent not only the culmination of eighteen months of research, writing and interviews regarding biological diversity conservation, but also the impetus to push the thinking of environmentalists and business persons in a new direction, perhaps the only direction that will allow the nations of the world to protect their forests for the next twenty years and beyond.

  2. Effects of reactant rotational excitations on H{sub 2} + NH{sub 2} → H + NH{sub 3} reactivity

    SciTech Connect (OSTI)

    Song, Hongwei; Guo, Hua

    2014-12-28

    Rotational mode specificity of the title reaction is examined using an initial state selected time-dependent wave packet method on an accurate ab initio based global potential energy surface. This penta-atomic reaction presents an ideal system to test several dynamical approximations, which might be useful for future quantum dynamics studies of polyatomic reactions, particularly with rotationally excited reactants. The first approximation involves a seven-dimensional (7D) model in which the two non-reactive N–H bonds are fixed at their equilibrium geometry. The second is the centrifugal sudden (CS) approximation within the 7D model. Finally, the J-shifting (JS) model is tested, again with the fixed N–H bonds. The spectator-bond approximation works very well in the energy range studied, while the centrifugal sudden and J-shifting integral cross sections (ICSs) agree satisfactorily with the coupled-channel counterparts in the low collision energy range, but deviate at the high energies. The calculated integral cross sections indicate that the rotational excitation of H{sub 2} somewhat inhibits the reaction while the rotational excitations of NH{sub 2} have little effect. These findings are compared with the predictions of the sudden vector projection model. Finally, a simple model is proposed to predict rotational mode specificity using K-averaged reaction probabilities.

  3. Two Dimensional Polyamides Prepared From Unsaturated Carboxylic Acids And Amines.

    DOE Patents [OSTI]

    McDonald, William F.; Huang, Zhi Heng; Wright, Stacy C.; Danzig, Morris; Taylor, Andrew C.

    2002-07-17

    A polyamide and a process for preparing the polyamide are disclosed. The process comprises reacting in a reaction mixture a monomer selected from unsaturated carboxylic acids, esters of unsaturated carboxylic acids, anhydrides of unsaturated carboxylic acids, and mixtures thereof, and a first amine to form an intermediate reaction product in the reaction mixture, wherein the first amine is selected from RR.sub.1 NH, RNH.sub.2, RR.sub.1 NH.sub.2.sup.+, RNH.sub.3.sup.+ and mixtures thereof, wherein R and R.sub.1 can be the same or different and each contain between about 1 and 50 carbon atoms and are optionally substituted with heteroatoms oxygen, nitrogen, sulfur, and phosphorus and combinations thereof, and reacting the intermediate reaction product and a second amine to form a polyamide, wherein the second amine is selected from R.sub.2 R.sub.3 NH, R.sub.2 NH.sub.2, R.sub.2 R.sub.3 NH.sub.2.sup.+, R.sub.2 NH.sub.3.sup.+ and mixtures thereof wherein R.sub.2 and R.sub.3 can be the same or different and each contain between about 1 and 50 carbon atoms and are optionally substituted with heteroatoms oxygen, nitrogen, sulfur, and phosphorus and combinations thereof, wherein multiple of the R, R.sub.1, R.sub.2, and R.sub.3 are in vertically aligned spaced relationship along a backbone formed by the polyamide. In one version of the invention, the monomer is selected from maleic anhydride, maleic acid esters, and mixtures thereof. In another version of the invention, the first amine is an alkylamine, such as tetradecylamine, and the second amine is a polyalkylene polyamine, such as pentaethylenehexamine. In yet another version of the invention, the first amine and the second amine are olefinic or acetylenic amines, such as the reaction products of an alkyldiamine and an acetylenic carboxylic acid. The first amine and the second amine may be the same or different depending on the desired polyamide polymer structure.

  4. A SCR Model Calibration Approach with Spatially Resolved Measurements and NH3 Storage Distributions

    SciTech Connect (OSTI)

    Song, Xiaobo; Parker, Gordon G.; Johnson, John H.; Naber, Jeffrey D.; Pihl, Josh A.

    2014-11-27

    The selective catalytic reduction (SCR) is a technology used for reducing NO x emissions in the heavy-duty diesel (HDD) engine exhaust. In this study, the spatially resolved capillary inlet infrared spectroscopy (Spaci-IR) technique was used to study the gas concentration and NH3 storage distributions in a SCR catalyst, and to provide data for developing a SCR model to analyze the axial gaseous concentration and axial distributions of NH3 storage. A two-site SCR model is described for simulating the reaction mechanisms. The model equations and a calculation method was developed using the Spaci-IR measurements to determine the NH3 storage capacity and the relationships between certain kinetic parameters of the model. Moreover, a calibration approach was then applied for tuning the kinetic parameters using the spatial gaseous measurements and calculated NH3 storage as a function of axial position instead of inlet and outlet gaseous concentrations of NO, NO2, and NH3. The equations and the approach for determining the NH3 storage capacity of the catalyst and a method of dividing the NH3 storage capacity between the two storage sites are presented. It was determined that the kinetic parameters of the adsorption and desorption reactions have to follow certain relationships for the model to simulate the experimental data. Finally, the modeling results served as a basis for developing full model calibrations to SCR lab reactor and engine data and state estimator development as described in the references (Song et al. 2013a, b; Surenahalli et al. 2013).

  5. Using biodiversity methods to assess the impacts of oil and gas development in tropical rain forests

    SciTech Connect (OSTI)

    Reagan, D.P.; Silva del Poso, X. |

    1995-06-01

    Oil and gas development in tropical rain forests has attracted international attention because of the potentially adverse effects on the forest ecosystems. Biodiversity is a topic of particular concern, but is difficult to assess for small areas of disturbance. In July 1992 we used light traps to compare insect diversity at canopy and ground level as a means of detecting the impacts of an exploratory well site and related facilities within mature Amazonian rain forest in the Oriente Province of Ecuador. Replicate samples were collected at the well site, in a nearby area of agricultural development, and in a reference site within mature forest. Species richness was determined, and diversity indices were calculated for each set of samples. Results indicated that changes in diversity could be detected in the canopy and at ground level at the well site, but that the reduction in diversity was small. Biological diversity was substantially reduced in the area of agricultural development. Limitations and possible applications of this approach are discussed.

  6. Rain-Induced Increase in Background Radiation Detected by Radiation Portal Monitors

    SciTech Connect (OSTI)

    Hausladen, Paul; Blessinger, Christopher S; Guzzardo, Tyler; Livesay, Jake

    2012-07-01

    A complete understanding of both the steady state and transient background measured by Radiation Portal Monitors (RPMs) is essential to predictable system performance, as well as maximization of detection sensitivity. To facilitate this understanding, a test bed for the study of natural background in RPMs has been established at the Oak Ridge National Laboratory. This work was performed in support of the Second Line of Defense Program's mission to detect the illicit movement of nuclear material. In the present work, transient increases in gamma ray counting rates in RPMs due to rain are investigated. The increase in background activity associated with rain, which has been well documented in the field of environmental radioactivity, originates from the atmospheric deposition of two radioactive daughters of radon-222, namely lead-214 and bismuth-214 (henceforth {sup 222}Rn, {sup 214}Pb and {sup 214}Bi). In this study, rainfall rates recorded by a co-located weather station are compared with RPM count rates and High Purity Germanium spectra. The data verifies these radionuclides are responsible for the dominant transient natural background fluctuations in RPMs. Effects on system performance and potential mitigation strategies are discussed.

  7. Oxy`s strategy on environment, community issues key to success of project in Ecuador`s rain forest

    SciTech Connect (OSTI)

    Williams, B.

    1997-04-21

    Occidental Exploration and Production Co. has implemented a comprehensive strategy of strict environmental protection measures and aggressive community relations initiatives in its oil operations in the rain forests of eastern Ecuador. While such measures may not be unique by themselves, Oxy`s efforts to incorporate these measures as a cornerstone of its exploration and development campaign--at the earliest possible stage--can serve as something of a paradigm for oil and gas industry operations in the rain forest. The upshot is that Oxy has a world-class (at least from an environmental standpoint) oil drilling-production operation at the heart of a world-class biological reserve in a pristine rain forest. Even against a backdrop of politically charged concern over industry work in the Amazon region, the project is an unqualified success to Oxy, the government of Ecuador, and most importantly, the native inhabitants there. The paper describes the environmental management plan.

  8. RELAP5/MOD2 assessment simulation of semiscale MOD-2C test S-NH-3

    SciTech Connect (OSTI)

    Megahed, M M

    1987-10-01

    This report documents an evaluation of the RELAP5/MOD2/Cycle 36.05 thermal hydraulic computer code for a simulation of a small-break loss-of-coolant accident transient (SBLOCA). The experimental data base for the evaluation is the results of Test S-NH-3 performed in the Semiscale MOD-2C test facility. The test modeled a 0.5% SBLOCA with an accompanying failure of the high-pressure injection emergency core cooling system. The test facility and RELAP5/MOD2 model used in the calculations are described. Evaluations of the accuracy of the calculations are presented in the form of comparisons of measured and calculated histories of selected parameters associated with the primary and secondary systems. A conclusion was reached that the code is capable of making SBLOCA calculations efficiently. However, some of the SBLOCA-related phenomena were not properly predicted by the code, suggesting a need for code improvement.

  9. The thermal decomposition of NH{sub 2}OH and subsequent reactions : ab initio transition state theory and reflected shock tube experiments.

    SciTech Connect (OSTI)

    Klippenstein, S. J.; Harding, L. B.; Ruscic, B.; Sivaramakrishnan, R.; Srinivasan, N. K.; Su, M.-C.; Michael, J. V.; Chemical Sciences and Engineering Division; Sonoma State Univ.

    2009-01-01

    Primary and secondary reactions involved in the thermal decomposition of NH{sub 2}OH are studied with a combination of shock tube experiments and transition state theory based theoretical kinetics. This coupled theory and experiment study demonstrates the utility of NH{sub 2}OH as a high temperature source of OH radicals. The reflected shock technique is employed in the determination of OH radical time profiles via multipass electronic absorption spectrometry. O-atoms are searched for with atomic resonance absorption spectrometry. The experiments provide a direct measurement of the rate coefficient, k{sub 1}, for the thermal decomposition of NH{sub 2}OH. Secondary rate measurements are obtained for the NH{sub 2} + OH (5a) and NH{sub 2}OH + OH (6a) abstraction reactions. The experimental data are obtained for temperatures in the range from 1355 to 1889 K and are well represented by the respective rate expressions: log[k/(cm{sup 3} molecule{sup -1} s{sup -1})] = (?10.12 {+-} 0.20) + (?6793 {+-} 317 K/T) (k{sub 1}); log[k/(cm{sup 3} molecule{sup -1} s{sup -1})] = (?10.00 {+-} 0.06) + (?879 {+-} 101 K/T) (k{sub 5a}); log[k/(cm{sup 3} molecule{sup -1} s{sup -1})] = (?9.75 {+-} 0.08) + (?1248 {+-} 123 K/T) (k{sub 6a}). Theoretical predictions are made for these rate coefficients as well for the reactions of NH{sub 2}OH + NH{sub 2}, NH{sub 2}OH + NH, NH + OH, NH{sub 2} + NH{sub 2}, NH{sub 2} + NH, and NH + NH, each of which could be of secondary importance in NH{sub 2}OH thermal decomposition. The theoretical analyses employ a combination of ab initio transition state theory and master equation simulations. Comparisons between theory and experiment are made where possible. Modest adjustments of predicted barrier heights (i.e., by 2 kcal/mol or less) generally yield good agreement between theory and experiment. The rate coefficients obtained here should be of utility in modeling NO{sub x} in various combustion environments.

  10. Tuned sensitivity towards H{sub 2}S and NH{sub 3} with Cu doped barium strontium titanate materials

    SciTech Connect (OSTI)

    Simion, C. E. Teodorescu, V. S.; Stănoiu, A.; Sackmann, A.; Ruşti, C. F.; Piticescu, R. M.

    2014-11-05

    The different amount of Cu-doped Barium Strontium Titanate (BST) thick film materials have been tested for their gas-sensing performances towards NH{sub 3} and H{sub 2}S under dry and 50% relative humidity (RH) background conditions. The optimum NH{sub 3} sensitivity was attained with 0.1mol% Cu-doped BST whereas the selective detection of H{sub 2}S was highlighted using 5mol% Cu-doped BST material. No cross-sensitivity effects to CO, NO{sub 2}, CH{sub 4} and SO{sub 2} were observed for all tested materials operated at their optimum temperature (200°C) under humid conditions (50% RH). The presence of humidity clearly enhances the gas sensitivity to NH{sub 3} and H{sub 2}S detection.

  11. Managing nontechnical risks associated with seismic operations in the tropical rain forests of Ecuador

    SciTech Connect (OSTI)

    Barker, G.; Smith, G.R.; Vacas, F.J.; Swingholm, E.K.; Yuill, R.M.; Aleman, M.A.

    1997-04-21

    Companies operating in sensitive areas are being challenged to address the environmental and social issues while preserving these areas for future generations. This increased international attention on environmental and sociocultural issues has led Amoco to focus efforts on developing new ideas and strategies to facilitate environmental and cultural management. In Ecuador, the major oil producing region is the Ecuadorian portion of the Amazon Basin, referred to locally as the Oriente. Amoco Ecuador BV recently completed a seismic acquisition program in the Oriente with minimum impact to the environment and the communities within the project area. The goal of this article is to describe Amoco`s experience in managing environmental, social, and public perception issues associated with seismic operations in the rain forests of Ecuador.

  12. Acidity characterization of a titanium and sulfate modified vermiculite

    SciTech Connect (OSTI)

    Hernandez, W.Y.; Centeno, M.A.; Odriozola, J.A.; Moreno, S.; Molina, R.

    2008-07-01

    A natural vermiculite has been modified with titanium and sulfated by the intercalation and impregnation method in order to optimize the acidity of the clay mineral, and characterization of samples were analyzed by X-ray fluorescence (XRF), X-ray diffraction (XRD), nitrogen adsorption isotherms, diffuse reflectance infrared Fourier transform spectroscopy (DRIFTS) and temperature programmed desorption with ammonia (TPD-NH{sub 3}). All the modified solids have a significantly higher number of acidic sites with respect to the parent material and in all of these, Broensted as well as Lewis acidity are identified. The presence of sulfate appears not to increase the number of acidic centers in the modified clay. For the materials sulfated with the intercalation method, it is observed that the strength of the acidic sites found in the material increases with the nominal sulfate/metal ratio. Nevertheless, when elevated quantities of sulfur are deposited, diffusion problems in the heptane reaction appear.

  13. Increasing biogas yield of rural biogas digester by addition of NH/sub 4/HCO/sub 3/

    SciTech Connect (OSTI)

    Sun, G.C.; Chen, G.Q.; Chen, M.; Liu, K.X.; Zhou, S.Y.

    1983-12-01

    By addition of 0.3% NH/sub 4/HCO/sub 3/ instead of animal manure into rural biogas digester in which the rotted rice straw was the major feedstock, the biogas yield doubled in comparison with the check digester (0.1 m/sup 3//m/sup 3//d) and the fertility of NH/sub 4/HCO/sub 3/ did not decrease because of biogas fermentation. Many digesters have been built in China. But, owing to the problems of improper management, unsuitable influent mixing, etc., neither digesters nor feedstock were fully utilized. In order to solve these problems, adding NH/sub 4/HCO/sub 3/ into digester instead of animal manure was tried. Its results showed that the suitable C/N ratio of influent mixing was obtained, the fertility of effluent went up, and biogas producing rate increased. The concentration of NH/sub 4/HCO/sub 3/ is 0.2-0.6%, but the optimal is 0.3%.

  14. Update and Improve Subsection NH –– Alternative Simplified Creep-Fatigue Design Methods

    SciTech Connect (OSTI)

    Tai Asayama

    2009-10-26

    This report described the results of investigation on Task 10 of DOE/ASME Materials NGNP/Generation IV Project based on a contract between ASME Standards Technology, LLC (ASME ST-LLC) and Japan Atomic Energy Agency (JAEA). Task 10 is to Update and Improve Subsection NH -- Alternative Simplified Creep-Fatigue Design Methods. Five newly proposed promising creep-fatigue evaluation methods were investigated. Those are (1) modified ductility exhaustion method, (2) strain range separation method, (3) approach for pressure vessel application, (4) hybrid method of time fraction and ductility exhaustion, and (5) simplified model test approach. The outlines of those methods are presented first, and predictability of experimental results of these methods is demonstrated using the creep-fatigue data collected in previous Tasks 3 and 5. All the methods (except the simplified model test approach which is not ready for application) predicted experimental results fairly accurately. On the other hand, predicted creep-fatigue life in long-term regions showed considerable differences among the methodologies. These differences come from the concepts each method is based on. All the new methods investigated in this report have advantages over the currently employed time fraction rule and offer technical insights that should be thought much of in the improvement of creep-fatigue evaluation procedures. The main points of the modified ductility exhaustion method, the strain range separation method, the approach for pressure vessel application and the hybrid method can be reflected in the improvement of the current time fraction rule. The simplified mode test approach would offer a whole new advantage including robustness and simplicity which are definitely attractive but this approach is yet to be validated for implementation at this point. Therefore, this report recommends the following two steps as a course of improvement of NH based on newly proposed creep-fatigue evaluation

  15. Verification of Allowable Stresses In ASME Section III Subsection NH For Grade 91 Steel & Alloy 800H

    SciTech Connect (OSTI)

    R. W. Swindeman; M. J. Swindeman; B. W. Roberts; B. E. Thurgood; D. L. Marriott

    2007-11-30

    The database for the creep-rupture of 9Cr-1Mo-V (Grade 91) steel was collected and reviewed to determine if it met the needs for recommending time-dependent strength values, S{sub t}, for coverage in ASME Section III Subsection NH (ASME III-NH) to 650 C (1200 F) and 600,000 hours. The accumulated database included over 300 tests for 1% total strain, nearly 400 tests for tertiary creep, and nearly 1700 tests to rupture. Procedures for analyzing creep and rupture data for ASME III-NH were reviewed and compared to the procedures used to develop the current allowable stress values for Gr 91 for ASME II-D. The criteria in ASME III-NH for estimating S{sub t} included the average strength for 1% total strain for times to 600,000 hours, 80% of the minimum strength for tertiary creep for times to 600,000 hours, and 67% of the minimum rupture strength values for times to 600,000 hours. Time-temperature-stress parametric formulations were selected to correlate the data and make predictions of the long-time strength. It was found that the stress corresponding to 1% total strain and the initiation of tertiary creep were not the controlling criteria over the temperature-time range of concern. It was found that small adjustments to the current values in III-NH could be introduced but that the existing values were conservative and could be retained. The existing database was found to be adequate to extend the coverage to 600,000 hours for temperatures below 650 C (1200 F).

  16. Synthesis, characterization and optical properties of NH{sub 4}Dy(PO{sub 3}){sub 4}

    SciTech Connect (OSTI)

    Chemingui, S.; Ferhi, M. Horchani-Naifer, K.; Férid, M.

    2014-09-15

    Polycrystalline powders of NH{sub 4}Dy(PO{sub 3}){sub 4} polyphosphate have been grown by the flux method. This compound was found to be isotopic with NH{sub 4}Ce(PO{sub 3}){sub 4} and RbHo(PO{sub 3}){sub 4}. It crystallizes in the monoclinic space group P2{sub 1/n} with unit cell parameters a=10.474(6) Å, b=9.011(4) Å, c=10.947(7) Å and β=106.64(3)°. The title compound has been transformed to triphosphate Dy(PO{sub 3}){sub 3} after calcination at 800 °C. Powder X-ray diffraction, infrared and Raman spectroscopies and the differential thermal analysis have been used to identify these materials. The spectroscopic properties have been investigated through absorption, excitation, emission spectra and decay curves of Dy{sup 3+} ion in both compounds at room temperature. The emission spectra show the characteristic emission bands of Dy{sup 3+} in the two compounds, before and after calcination. The integrated emission intensity ratios of the yellow to blue (I{sub Y}/I{sub B}) transitions and the chromaticity properties have been determined from emission spectra. The decay curves are found to be double-exponential. The non-exponential behavior of the decay rates was related to the resonant energy transfer as well as cross-relaxation between the donor and acceptor Dy{sup 3+} ions. The determined properties have been discussed as function of crystal structure of both compounds. They reveal that NH{sub 4}Dy(PO{sub 3}){sub 4} is promising for white light generation but Dy(PO{sub 3}){sub 3} is potential candidates in field emission display (FED) and plasma display panel (PDP) devices. - Graphical abstract: The CIE color coordinate diagrams showing the chromatic coordinates of Dy{sup 3+} luminescence in NH{sub 4}Dy(PO{sub 3}){sub 4} and Dy(PO{sub 3}){sub 3}. - Highlights: • The polycrystalline powders of NH{sub 4}Dy(PO{sub 3}){sub 4} and Dy(PO{sub 3}){sub 3} are synthesized. • The obtained powders are characterized. • The spectroscopic properties of Dy{sup 3+} ion

  17. RELAP5 assessment using semiscale SBLOCA test S-NH-1. International Agreement Report

    SciTech Connect (OSTI)

    Lee, E.J.; Chung, B.D.; Kim, H.J.

    1993-06-01

    2-inch cold leg break test S-NH-1, conducted at the 1/1705 volume scaled facility Semiscale was analyzed using RELAP5/MOD2 Cycle 36.04 and MOD3 Version 5m5. Loss of HPIS was assumed, and reactor trip occurred on a low PZR pressure signal (13.1 MPa), and pumps began an unpowered coastdown on SI signal (12.5 MPa). The system was recovered by opening ADV`s when the PCT became higher than 811 K. Accumulator was finally injected into the system when the primary system pressure was less than 4.0 MPa. The experiment was terminated when the pressure reached the LPIS actuation set point RELAP5/MOD2 analysis demonstrated its capability to predict, with a sufficient accuracy, the main phenomena occurring in the depressurization transient, both from a qualitative and quantitative points of view. Nevertheless, several differences were noted regarding the break flow rate and inventory distribution due to deficiencies in two-phase choked flow model, horizontal stratification interfacial drag, and a CCFL model. The main reason for the core to remain nearly fully covered with the liquid was the under-prediction of the break flow by the code. Several sensitivity calculations were tried using the MOD2 to improve the results by using the different options of break flow modeling (downward, homogeneous, and area increase). The break area compensating concept based on ``the integrated break flow matching`` gave the best results than downward junction and homogeneous options. And the MOD3 showed improvement in predicting a CCFL in SG and a heatup in the core.

  18. Evaluation of Cloud-resolving and Limited Area Model Intercomparison Simulations using TWP-ICE Observations. Part 2: Rain Microphysics

    SciTech Connect (OSTI)

    Varble, Adam; Zipser, Edward J.; Fridlind, Ann; Zhu, Ping; Ackerman, Andrew; Chaboureau, Jean-Pierre; Fan, Jiwen; Hill, Adrian; Shipway, Ben; Williams, Christopher R.

    2014-12-27

    Ten 3D cloud-resolving model (CRM) simulations and four 3D limited area model (LAM) simulations of an intense mesoscale convective system observed on January 23-24, 2006 during the Tropical Warm Pool International Cloud Experiment (TWP-ICE) are compared with each other and with observations and retrievals from a scanning polarimetric radar, co-located UHF and VHF vertical profilers, and a Joss-Waldvogel disdrometer in an attempt to explain published results showing a low bias in simulated stratiform rainfall. Despite different forcing methodologies, similar precipitation microphysics errors appear in CRMs and LAMs with differences that depend on the details of the bulk microphysics scheme used. One-moment schemes produce too many small raindrops, which biases Doppler velocities low, but produces rain water contents (RWCs) that are similar to observed. Two-moment rain schemes with a gamma shape parameter (?) of 0 produce excessive size sorting, which leads to larger Doppler velocities than those produced in one-moment schemes, but lower RWCs than observed. Two moment schemes also produce a convective median volume diameter distribution that is too broad relative to observations and thus, may have issues balancing raindrop formation, collision coalescence, and raindrop breakup. Assuming a ? of 2.5 rather than 0 for the raindrop size distribution improves one-moment scheme biases, and allowing ? to have values greater than 0 may improve two-moment schemes. Under-predicted stratiform rain rates are associated with under-predicted ice water contents at the melting level rather than excessive rain evaporation, in turn likely associated with convective detrainment that is too high in the troposphere and mesoscale circulations that are too weak. In addition to stronger convective updrafts than observed, limited domain size prevents a large, well-developed stratiform region from developing in CRMs, while a dry bias in ECMWF analyses does the same to the LAMs.

  19. Capacitive deionization of NH{sub 4}CIO{sub 4} solutions with carbon aerogel electrodes. Revision 1

    SciTech Connect (OSTI)

    Farmer, J.C.; Fix, D.V.; Mack, G.V.; Pekala, R.W.; Poco, J.F.

    1996-01-01

    A process for capacitive deionization of water with a stack of carbon aerogel electrodes was developed. Unlike ion exchange, one of the more conventional deionization processes, no chemicals are required for regeneration of the system; electricity is used instead. An aqueous solution of NH{sub 4}ClO{sub 4} is pumped through the electrochemical cell. After polarization, NH{sub 4}{sup +} and ClO{sub 4}{sup -} ions are removed from the water by the imposed electric field and trapped in the extensive cathodic and anodic double layers. Thsi process produces one stream of purified water and a second stream of concentrate. Effects of cell voltage, salt concentration, and cycling on electrosorption capacity were studied and results reported.

  20. A reaction mechanism for titanium nitride CVD from TiCl{sub 4} and NH{sub 3}

    SciTech Connect (OSTI)

    Larson, R.S.; Allendorf, M.D.

    1995-12-01

    A gas-phase and surface reaction mechanism for the CVD of TiN from TiCl{sub 4} and NH{sub 3} is proposed. The only gas-phase process is complex formation, which can compete with deposition. The surface mechanism postulates the stepwise elimination of Cl and H atoms from TiCl{sub 4} and NH{sub 3}, respectively, to form solid TiN and gaseous HCl. The mechanism also accounts for the change in oxidation state of Ti by allowing for liberation of N{sub 2}. Provided that the surface composition is at steady state, the stoichiometry of the overall reaction is reproduced exactly. In addition, the global kinetic law predicted by the mechanism is successfully fit to new deposition data from a rotating disk reactor and is shown to be consistent with literature results.

  1. RELAP5/MOD2 assessment using semiscale experiments S-NH-1 and S-LH-2

    SciTech Connect (OSTI)

    Yuann, Ruey-ying; Liang, Kuo-shing; Jacobson, J L

    1987-10-01

    This report presents the results of the RELAP5/MOD2 posttest assessment utilizing two small break loss-of-coolant accident (LOCA) tests (S-NH-1 and S-LH-2) which were performed in the Semiscale Mod-2C facility. Test S-NH-1 was a 0.5% small break LOCA where the high-pressure injection system (HPIS) was inoperable throughout the transient. Test S-LH-2 was a 5% small break LOCA involving a relatively high upper-head-to-downcomer initial bypass flow and nominal emergency core cooling. Through comparisons between data and best-estimate RELAP5 calculations, the capabilities of RELAP5 to calculate the transient phenomena are assessed. For S-NH-1, emphasis was placed on the capability of the code to calculate various operator actions to initiate core heatup in the absence of HPIS. For S-LH-2, the capability of the code to calculate basic small break system response, such as vessel level during loop seal formation and clearing, break uncovery, and primary pressure response following accumulator injection, was assessed. 10 refs., 76 figs., 4 tabs.

  2. Synthesis, crystal growth, structural and magnetic characterization of NH4MCl2(HCOO), M=(Fe, Co, Ni)

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

    Greenfield, Joshua T.; Ovidiu Garlea, V.; Kamali, Saeed; Chen, Michael; Kovnir, Kirill

    2015-09-24

    In this paper, an ambient-pressure solution route and an improved solvothermal synthetic method have been developed to produce polycrystalline powders and large single crystals of NH4MCl2(HCOO) (M=Fe, Co, Ni). The magnetic structure of the 1D linear chain compound NH4FeCl2(HCOO) has been determined by low-temperature neutron powder diffraction, revealing ferromagnetic intra-chain interactions and antiferromagnetic inter-chain interactions. Finally, the newly-reported Co and Ni analogs are isostructural with NH4FeCl2(HCOO), but there are significant differences in the magnetic properties of each compound; the Ni analog behaves similarly to the Fe compound but with stronger magnetic coupling, exhibiting antiferromagnetic ordering (TN=8.5 K) and a broadmore » metamagnetic transition between 2 and 5 T, while the Co analog does not order magnetically above 2 K, despite strong antiferromagnetic nearest-neighbor interactions.« less

  3. High-temperature phase transformation and topochemical nature in ferroelastic (NH{sub 4}){sub 2}SO{sub 4}

    SciTech Connect (OSTI)

    Lee, Kwang-Sei; Oh, In-Hwan; Ko, Jae-Hyeon

    2014-04-01

    The electrical conductivity of ferroelastic ammonium sulfate (NH{sub 4}){sub 2}SO{sub 4} revealed an anomaly at around 130 C (=403 K, T{sub P}) on heating with large and irreversible thermal hysteresis through thermal cycle. Ferroelastic domain walls and surface morphology of (NH{sub 4}){sub 2}SO{sub 4} were investigated by hot-stage polarizing microscopy. Structural phase transition from an orthorhombic ferroelastic phase to a hexagonal paraelastic phase was not identified at T{sub P} upon heating. On further heating above T{sub P}, microscopic spots appeared and grew on the crystal surface, suggesting that the high-temperature anomaly at T{sub P} was an indication of an onset of thermal decomposition controlled by topochemical factors. The increase of electrical conductivity above T{sub P} was attributed to proton migration. - Graphical abstract: Surface morphology of the (100) face of (NH{sub 4}){sub 2}SO{sub 4} on heating, showing chemical reaction at the surface. - Highlights: We investigate the high-temperature phase transformation of ammonium sulfate. The increasing conductivity upon heating is attributed to proton migration. Structural phase transition from orthorhombic to hexagonal phase is not confirmed. High-temperature anomaly is related to an onset of thermal decomposition. The nature of the high-temperature anomaly is topochemical controlled by defects.

  4. Hydroxycarboxylic acids and salts

    SciTech Connect (OSTI)

    Kiely, Donald E; Hash, Kirk R; Kramer-Presta, Kylie; Smith, Tyler N

    2015-02-24

    Compositions which inhibit corrosion and alter the physical properties of concrete (admixtures) are prepared from salt mixtures of hydroxycarboxylic acids, carboxylic acids, and nitric acid. The salt mixtures are prepared by neutralizing acid product mixtures from the oxidation of polyols using nitric acid and oxygen as the oxidizing agents. Nitric acid is removed from the hydroxycarboxylic acids by evaporation and diffusion dialysis.

  5. Time-Resolved XAFS Spectroscopic Studies of B-H and N-H Oxidative Addition to Transition Metal Catalysts Relevant to Hydrogen Storage

    SciTech Connect (OSTI)

    Bitterwolf, Thomas E.

    2014-12-09

    Successful catalytic dehydrogenation of aminoborane, H3NBH3, prompted questions as to the potential role of N-H oxidative addition in the mechanisms of these processes. N-H oxidative addition reactions are rare, and in all cases appear to involve initial dative bonding to the metal by the amine lone pairs followed by transfer of a proton to the basic metal. Aminoborane and its trimethylborane derivative block this mechanism and, in principle, should permit authentic N-H oxidative attrition to occur. Extensive experimental work failed to confirm this hypothesis. In all cases either B-H complexation or oxidative addition of solvent C-H bonds dominate the chemistry.

  6. A Pyrrolyl-based Triazolophane: A Macrocyclic Receptor With CH and NH Donor Groups That Exhibits a Preference for Pyrophosphate Anions

    SciTech Connect (OSTI)

    Sessler, Jonathan L.; Cia, Jiajia; Gong, Han-Yuan; Yang, Xiauping; Arambula, Jonathan F.; Hay, Benjamin

    2010-01-01

    A pyrrolyl-based triazolophane, incorporating CH and NH donor groups, acts as a receptor for the pyrophosphate anion in chloroform solution. It shows selectivity for this trianion, followed by HSO{sub 4}{sup -} > H{sub 2}PO{sub 4}{sup -} > Cl{sup -} > Br{sup -} (all as the corresponding tetrabutylammonium salts), with NH-anion interactions being more important than CH-anion interactions. In the solid state, the receptor binds the pyrophosphate anion in a clip-like slot via NH and CH hydrogen bonds.

  7. Nutrient dynamics and nitrogen trace gas flux during ecosystem development in montane rain forest

    SciTech Connect (OSTI)

    Riley, R.H.; Vitousek, P.M.

    1995-01-01

    Patterns of nitrogen trace gas emissions, soil nitrogen flux, and nutrient availability were evaluated at five sites that form a chronosequence in Hawaiian montane rain forest. The estimated age of basaltic parent material from which soils developed at the Kilauea site was 200 yr, 6000 yr at the Puu Makaala site, 185000 yr at the Kohala site, 1.65 x 10{sup 6} yr at the Molokai site, and 4.5 x 10{sup 6} yr at the Kauai site. Peak net N mineralization and nitrification values were found in soils from the 185000-yr-old Kohala site. Nitrogen content of foliage and leaf litter was highest in the intermediate age sites (Puu Makaala and Kohala) and N and P retranslocation was lowest at the Puu Makaala site. Soil cores fertilized with nitrogen had significantly higher rates of root ingrowth than control cores at the two youngest sites (200 and 6000 yr old) but not in older sites (185000 and 4.5 x 10{sup 6}-yr-old sites) and total fine root growth into control cores was greatest at the Kohala site. The highest N{sub 2}O emissions were found at the 185000-yr-old Kohala site, while the highest combined flux of N{sub 2}O + NO was observed at the 4.5 x 10{sup 6}-yr-old Kauai site. While overall N{sub 2}O emission rates were correlated with rates of N transformations, soil water content appeared to influence the magnitude of emissions of N{sub 2}O and the ratios of emissions of NO vs. N{sub 2}O. N{sub 2}O emissions occurred when water-filled pore space (WFPS) values were >40%, with highest emissions in at least two sites observed at WFPS values of 75%. Among sites, high N{sub 2}O emissions were associated with high soil N transformation rates. Large NO fluxes were observed only at the Kauai site when WFPS values were <60%. 50 refs., 8 figs., 4 tabs.

  8. Fe/SSZ-13 as an NH3-SCR Catalyst: A Reaction Kinetics and FTIR/Mössbauer Spectroscopic Study

    SciTech Connect (OSTI)

    Gao, Feng; Kollar, Marton; Kukkadapu, Ravi K.; Washton, Nancy M.; Wang, Yilin; Szanyi, Janos; Peden, Charles H.F.

    2015-03-01

    Using a traditional aqueous solution ion-exchange method under a protecting atmosphere of N2, an Fe/SSZ-13 catalyst active in NH3-SCR was synthesized. Mössbauer and FTIR spectroscopies were used to probe the nature of the Fe sites. In the fresh sample, the majority of Fe species are extra-framework cations. The likely monomeric and dimeric ferric ions in hydrated form are [Fe(OH)2]+ and [HO-Fe-O-Fe-OH]2+, based on Mössbauer measurements. During the severe hydrothermal aging (HTA) applied in this study, a majority of cationic Fe species convert to FeAlOx and clustered FeOx species, accompanied by severe dealumination of the SSZ-13 framework. The clustered FeOx species do not give a sextet Mössbauer spectrum, indicating that these are highly disordered. However, some Fe species in cationic positions remain after aging as determined from Mössbauer measurements and CO/NO FTIR titrations. NO/NH3 oxidation reaction tests reveal that dehydrated cationic Fe are substantially more active in catalyzing oxidation reactions than the hydrated ones. For NH3-SCR, enhancement of NO oxidation under ‘dry’ conditions promotes SCR rates below ~300 • C. This is due mainly to contribution from the “fast” SCR channel. Above ~300 • C, enhancement of NH3 oxidation under ‘dry’ conditions, however, becomes detrimental to NOx conversions. The HTA sample loses much of the SCR activity below ~300 • C; however, above ~400 • C much of the activity remains. This may suggest that the FeAlOx and FeOx species become active at such elevated temperatures. Alternatively, the high-temperature activity may be maintained by the remaining extra-framework cationic species. For potential practical applications, Fe/SSZ-13 may be used as a co-catalyst for Cu/CHA as integral aftertreatment SCR catalysts on the basis of the stable high temperature activity after hydrothermal aging. The authors gratefully acknowledge the US Department of Energy (DOE), Energy Efficiency and Renewable Energy

  9. Observational results of a multi-telescope campaign in search of interstellar urea [(NH{sub 2}){sub 2}CO

    SciTech Connect (OSTI)

    Remijan, Anthony J.; Snyder, Lewis E.; Kuo, Hsin-Lun; Looney, Leslie W.; Friedel, Douglas N.; McGuire, Brett A.; Golubiatnikov, G. Yu; Lovas, Frank J.; Ilyushin, V. V.; Alekseev, E. A.; Dyubko, S. F.; McCall, Benjamin J.; Hollis, Jan M.

    2014-03-10

    In this paper, we present the results of an observational search for gas phase urea [(NH{sub 2}){sub 2}CO] observed toward the Sgr B2(N-LMH) region. We show data covering urea transitions from ?100 GHz to 250 GHz from five different observational facilities: the Berkeley-Illinois-Maryland-Association (BIMA) Array, the Combined Array for Research in Millimeter-wave Astronomy (CARMA), the NRAO 12 m telescope, the IRAM 30 m telescope, and the Swedish-ESO Submillimeter Telescope (SEST). The results show that the features ascribed to urea can be reproduced across the entire observed bandwidth and all facilities by best-fit column density, temperature, and source size parameters which vary by less than a factor of two between observations merely by adjusting for telescope-specific parameters. Interferometric observations show that the emission arising from these transitions is cospatial and compact, consistent with the derived source sizes and emission from a single species. Despite this evidence, the spectral complexity of both (NH{sub 2}){sub 2}CO and of Sgr B2(N) makes the definitive identification of this molecule challenging. We present observational spectra, laboratory data, and models, and discuss our results in the context of a possible molecular detection of urea.

  10. Passive SCR for lean gasoline NOX control: Engine-based strategies to minimize fuel penalty associated with catalytic NH3 generation

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

    Prikhodko, Vitaly Y.; Parks, James E.; Pihl, Josh A.; Toops, Todd J.

    2016-02-18

    Lean gasoline engines offer greater fuel economy than common stoichiometric gasoline engines. However, excess oxygen prevents the use of the current three-way catalyst (TWC) to control nitrogen oxide (NOX) emissions in lean exhaust. A passive SCR concept, introduced by General Motors Global R&D, makes use of a TWC that is already onboard to generate NH3 under slightly rich conditions, which is stored on the downstream SCR. The stored NH3 is then used to reduce NOX emissions when the engine switches to lean operation. In this work, the effect of engine parameters, such as air-fuel equivalence ratio and spark timing, onmore » NH3 generation over a commercial Pd-only TWC with no dedicated oxygen storage component was evaluated on a 2.0-liter BMW lean burn gasoline direct injection engine. NOX reduction, NH3 formation, and reductant utilization processes were evaluated, and fuel efficiency was assessed and compared to the stoichiometric engine operation case. We found air-fuel equivalence ratio to be one of the most important parameters in controlling the NH3 production; however, the rich operation necessary for NH3 production results in a fuel consumption penalty. The fuel penalty can be minimized by adjusting spark timing to increase rich-phase engine out NOX emissions and, thereby, NH3 levels. Additionally, higher engine out NOX during engine load increase to simulate acceleration resulted in additional fuel savings. Ultimately, a 10% fuel consumption benefit was achieved with the passive SCR approach by optimizing rich air-fuel equivalence ratio and spark timing while also utilizing acceleration load conditions.« less

  11. National Acid Precipitation Assessment Program Report to Congress: An Integrated Assessment

    SciTech Connect (OSTI)

    Uhart, M.; et al,

    2005-08-01

    Under Title IX of the 1990 Clean Air Act Amendments, Congress reauthorized the National Acid Precipitation Assessment Program (NAPAP) to continue coordinating acid rain research and monitoring, as it had done during the previous decade, and to provide Congress with periodic reports. In particular, Congress asked NAPAP to assess all available data and information to answer two questions: (1) What are the costs, benefits, and effectiveness of Title IV? This question addresses the costs and economic impacts of complying with the Acid Rain Program as well as benefit analyses associated with the various human health and welfare effects, including reduced visibility, damages to materials and cultural resources, and effects on ecosystems. (2) What reductions in deposition rates are needed to prevent adverse ecological effects? This complex questions addresses ecological systems and the deposition levels at which they experience harmful effects. The results of the assessment of the effects of Title IV and of the relationship between acid deposition rates and ecological effects were to be reported to Congress quadrennially, beginning with the 1996 report to Congress. The objective of this Report is to address the two main questions posed by Congress and fully communicate the results of the assessment to decision-makers. Given the primary audience, most of this report is not written as a technical document, although information supporting the conclusions is provided along with references.

  12. Spectrophotometric determination of scandium using xylenol orange with prior concentration and separation from interfering elements by precipitation with oxalic acid

    SciTech Connect (OSTI)

    Bykhovtsova, T.T.; Bykhovtsova, I.V.

    1988-01-10

    The influence of some parameters (pH, salt concentration) on scandium precipitation with oxalic acid in the presence of calcium oxalate as collector has been examined. Scandium precipitates quantitatively as an oxalate at pH 0.8-1.2 in 0.5-1.0 M NH/sub 4/NO/sub 3/. A spectrophotometric method is proposed for determining scandium with Xylenol Orange combined with preseparation from interfering elements by successive precipitation with inositolhexaphosphoric acid and oxalic acid. The method was applied for scandium determination in samples of complex compositions.

  13. Low Surface Recombination Velocity in Solution-Grown CH3NH3PbBr3 Perovskite Single Crystal

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

    Yang, Ye; Yan, Yong; Yang, Mengjin; Choi, Sukgeun; Zhu, Kai; Luter, Joseph M.; Beard, Matthew C.

    2015-08-06

    Organic-inorganic hybrid perovskites are attracting intense research effort due to their impressive performance in solar cells. While the carrier transport parameters such as mobility and bulk carrier lifetime shows sufficient characteristics, the surface recombination, which can have major impact on the solar cell performance, has not been studied. Here we measure surface recombination dynamics in CH3NH3PbBr3 perovskite single crystals using broadband transient reflectance spectroscopy. The surface recombination velocity is found to be 3.4±0.1 103 cm s-1, B2–3 orders of magnitude lower than that in many important unpassivated semiconductors employed in solar cells. Our result suggests that the planar grain sizemore » for the perovskite thin films should be larger thanB30 mm to avoid the influence of surface recombination on the effective carrier lifetime.« less

  14. Acid distribution in phosphoric acid fuel cells

    SciTech Connect (OSTI)

    Okae, I.; Seya, A.; Umemoto, M.

    1996-12-31

    Electrolyte acid distribution among each component of a cell is determined by capillary force when the cell is not in operation, but the distribution under the current load conditions had not been clear so far. Since the loss of electrolyte acid during operation is inevitable, it is necessary to store enough amount of acid in every cell. But it must be under the level of which the acid disturbs the diffusion of reactive gases. Accordingly to know the actual acid distribution during operation in a cell is very important. In this report, we carried out experiments to clarify the distribution using small single cells.

  15. Unusual defect physics in CH{sub 3}NH{sub 3}PbI{sub 3} perovskite solar cell absorber

    SciTech Connect (OSTI)

    Yin, Wan-Jian Shi, Tingting; Yan, Yanfa

    2014-02-10

    Thin-film solar cells based on Methylammonium triiodideplumbate (CH{sub 3}NH{sub 3}PbI{sub 3}) halide perovskites have recently shown remarkable performance. First-principle calculations show that CH{sub 3}NH{sub 3}PbI{sub 3} has unusual defect physics: (i) Different from common p-type thin-film solar cell absorbers, it exhibits flexible conductivity from good p-type, intrinsic to good n-type depending on the growth conditions; (ii) Dominant intrinsic defects create only shallow levels, which partially explain the long electron-hole diffusion length and high open-circuit voltage in solar cell. The unusual defect properties can be attributed to the strong Pb lone-pair s orbital and I p orbital antibonding coupling and the high ionicity of CH{sub 3}NH{sub 3}PbI{sub 3}.

  16. 4D Density Determination of NH Radicals in an MSE Microplasma Combining Planar Laser Induced Fluorescence and Cavity Ring-Down Spectroscopy

    SciTech Connect (OSTI)

    Visser, Martin; Schenk, Andreas; Gericke, Karl-Heinz

    2010-10-13

    An application of microplasmas is surface modification under mild conditions and of small, well defined areas. For this, an understanding of the plasma composition is of importance. First results of our work on the production and detection of NH radicals in a capacitively coupled radio frequency (RF) microplasma are presented. A microstructured comb electrode was used to generate a glow discharge in a hydrogen/nitrogen gas mixture by applying 13.56 MHz RF voltage. The techniques of planar laser induced fluorescence (PLIF) and cavity ring-down spectroscopy (CRDS) are used for space and time resolved, quantitative detection of the NH radical in the plasma. The rotational temperature was determined to be 820 K and, the density 5.1x10{sup 12} cm{sup 3}. Also, time dependent behaviour of the NH production was observed.

  17. Structural study of Ni- or Mg-based complexes incorporated within UiO-66-NH{sub 2} framework and their impact on hydrogen sorption properties

    SciTech Connect (OSTI)

    Žunkovič, E.; Mazaj, M.; Mali, G.; Rangus, M.; Devic, T.; Serre, C.; Logar, N. Zabukovec

    2015-05-15

    Nickel and magnesium acetylacetonate molecular complexes were post-synthetically incorporated into microporous zirconium-based MOF (UiO-66-NH{sub 2}) in order to introduce active open-metal sites for hydrogen sorption. Elemental analysis, nitrogen physisorption and DFT calculations revealed that 5 molecules of Ni(acac){sub 2} or 2 molecules of Mg(acac){sub 2} were incorporated into one unit cell of UiO-66-NH{sub 2}. {sup 1}H–{sup 13}C CPMAS and {sup 1}H MAS NMR spectroscopy showed that, although embedded within the pores, both Ni- and Mg-complexes interacted with the UiO-66-NH{sub 2} framework only through weak van der Waals bonds. Inclusion of metal complexes led to the decrease of hydrogen sorption capacities in Ni-modified as well as in Mg-modified samples in comparison with the parent UiO-66-NH{sub 2}. The isosteric hydrogen adsorption enthalpy slightly increased in the case of Ni-modified material, but not in the case of Mg-modified analogue. - Graphical abstract: A post-synthesis impregnation of Mg- and Ni-acetylacetonate complexes performed on zirconium-based MOF UiO-66-NH{sub 2} does influence the hydrogen sorption performance with respect to the parent matrix. The structural study revealed that Mg- and Ni-acetylacetonate molecules interact with zirconium-terephthalate framework only by weak interactions and they are not covalently bonded to aminoterephthalate ligand. Still, they remain confined into the pores even after hydrogen sorption experiments. - Highlights: • Mg- and Ni-acetylacetonate molecules embedded in the pores of UiO-66-NH{sub 2} by PSM. • Molecules of complexes interact with framework only by van der Waals interactions. • Type/structure of deposited metal-complex impact hydrogen enthalpy of adsorption.

  18. Environmental radiological monitoring of air, rain, and snow on and near the Hanford Site, 1945-1957

    SciTech Connect (OSTI)

    Hanf, R.W.; Thiede, M.E.

    1994-03-01

    This report is a result of the Hanford Environmental Dose Reconstruction (HEDR) Project. The goal of the HEDR Project is to estimate the radiation dose that individuals could have received from emissions since 1944 at the Hanford Site near Richland, Washington. Members of the HEDR Project`s Environmental Monitoring Data Task have developed databases of historical environmental measurements of such emissions. Hanford documents were searched for information on the radiological monitoring of air, rain, and snow at and near the Hanford Site in Richland, Washington. The monitoring information was reviewed and summarized. The end product is a yearly overview of air, rain, and snow samples as well as ambient radiation levels in the air that were measured from 1945 through 1957. The following information is provided in each annual summary: the media sampled, the constituents (radionuclides) measured/reported, the sampling locations, the sampling frequencies, the sampling methods, and the document references. For some years a notes category is included that contains additional useful information. For the years 1948 through 1957, tables summarizing the sampling locations for the various sample media are also included in the appendix. A large number of documents were reviewed to obtain the information in this report. A reference list is attached to the end of each annual summary. All of the information summarized here was obtained from reports originating at Hanford. These reports are all publicly available and can be found in the Richland Operations Office (RL) public reading room. The information in this report has been compiled without analysis and should only be used as a guide to the original documents.

  19. Microstructures and properties of CH{sub 3}NH{sub 3}PbI{sub 3?x}Cl{sub x} hybrid solar cells

    SciTech Connect (OSTI)

    Suzuki, Kohei E-mail: oku@mat.usp.ac.jp; Suzuki, Atsushi E-mail: oku@mat.usp.ac.jp; Zushi, Masahito E-mail: oku@mat.usp.ac.jp; Oku, Takeo E-mail: oku@mat.usp.ac.jp

    2015-02-27

    Halide-perovskite CH{sub 3}NH{sub 3}PbI{sub 3} was produced on mesoporous TiO{sub 2} layer by spin-coating a precursor solution of PbCl{sub 2} and CH{sub 3}NH{sub 3}I in dimethylformamide. The role of the annealing process and chlorine (Cl) doping for the perovskite-phase formation was investigated. It was found that crystallization of the perovskite materials was stimulated by the annealing process, and that longer annealing time is necessary for the Cl-doped perovskite compared with that of non-doped perovskite phase.

  20. Solvent extraction of Li+, H3O+ and NH4+ into nitrobenzene by using sodium dicarbollylcobaltate and calix[4]arene-bis(t-octylbenzo-18-crown-6)

    SciTech Connect (OSTI)

    Makrlik, Emanuel; Selucky, P.; Vanura, Petr; Moyer, Bruce A

    2013-01-01

    From extraction experiments and c-activity measurements, the exchange extraction constants corresponding to the general equilibrium M+ (aq) + NaL+ (nb) , ML+ (nb) + Na+ (aq) taking place in the two-phase water nitrobenzene system (M+ = Li+, H3O+, NH+4; L = calix[4]arene-bis(t-octylbenzo-18-crown-6); aq = aqueous phase, nb = nitrobenzene phase) were evaluated. Furthermore, the stability constants of the ML+ complexes in nitrobenzene saturated with water were calculated; they were found to increase in the following cation order: zH3O+ < Li+ < NH+4.

  1. Full-dimensional quantum calculations of vibrational levels of NH4+ and isotopomers on an accurate ab initio potential energy surface

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

    Hua -Gen Yu; Han, Huixian; Guo, Hua

    2016-03-29

    Vibrational energy levels of the ammonium cation (NH4+) and its deuterated isotopomers are calculated using a numerically exact kinetic energy operator on a recently developed nine-dimensional permutation invariant semiglobal potential energy surface fitted to a large number of high-level ab initio points. Like CH4, the vibrational levels of NH4+ and ND4+ exhibit a polyad structure, characterized by a collective quantum number P = 2(v1 + v3) + v2 + v4. As a result, the low-lying vibrational levels of all isotopomers are assigned and the agreement with available experimental data is better than 1 cm–1.

  2. Acid Strength and Bifunctional Catalytic Behavior of Alloys Comprised of Noble Metals and Oxophilic Metal Promoters

    SciTech Connect (OSTI)

    Hibbitts, David D.; Tan, Qiaohua; Neurock, Matthew

    2014-06-01

    The promotion of metal catalysts with partially oxidized oxophilic MOx species, such as ReOx-promoted Rh, has been demonstrated to produce Brnsted acid sites that can promote hydrogenolysis of oxygenate intermediates such as those found in biomass-derived species. A wide variety of alloy compositions and structures are examined in this work to investigate strongly acidic promoters by using DFT-calculated deprotonation energies (DPE) as a measure of acid strength. Sites with the highest acid strength had DPE less than 1100 kJ mol-1, similar to DPE values of heteropolyacids or acid-containing zeolites, and were found on alloys composed of an oxophilic metal (such as Re or W) with a noble metal (such as Rh or Pt). NH3 adsorbs more strongly to sites with increasing acid strength and the activation barriers for acid-catalyzed ring opening of a furan ring decrease with increasing acid strength, which was also shown to be stronger for OH acid sites bound to multiple oxophilic metal atoms in a three-fold configuration rather than OH sites adsorbed in an atop configuration on one oxophilic metal, indicating that small MOx clusters may yield sites with the highest acid strength.

  3. Rotational spectrum of the molecular ion NH{sup +} as a probe for {alpha} and m{sub e}/m{sub p} variation

    SciTech Connect (OSTI)

    Beloy, K.; Borschevsky, A.; Hauser, A. W.; Schwerdtfeger, P.; Kozlov, M. G.; Flambaum, V. V.

    2011-06-15

    We identify the molecular ion NH{sup +} as a potential candidate for probing variations in the fine-structure constant {alpha} and electron-to-proton mass ratio {mu}. NH{sup +} has an anomalously low-lying excited {sup 4}{Sigma}{sup -} state, being only a few hundred cm{sup -1} above the ground {sup 2}{Pi} state. Being a light molecule, this proximity is such that rotational levels of the respective states are highly intermixed for low angular momenta. We find that several low-frequency transitions within the collective rotational spectrum experience enhanced sensitivity to {alpha} and {mu} variation. This is attributable to the close proximity of the {sup 2}{Pi} and {sup 4}{Sigma}{sup -} states, as well as the ensuing strong spin-orbit coupling between them. Suggestions that NH{sup +} may exist in interstellar space and recent predictions that trapped-ion precision spectroscopy will be adaptable to molecular ions make NH{sup +} a promising system for future astrophysical and laboratory studies of {alpha} and {mu} variation.

  4. The efficiency limit of CH{sub 3}NH{sub 3}PbI{sub 3} perovskite solar cells

    SciTech Connect (OSTI)

    Sha, Wei E. I.; Ren, Xingang; Chen, Luzhou; Choy, Wallace C. H.

    2015-06-01

    With the consideration of photon recycling effect, the efficiency limit of methylammonium lead iodide (CH{sub 3}NH{sub 3}PbI{sub 3}) perovskite solar cells is predicted by a detailed balance model. To obtain convincing predictions, both AM 1.5 spectrum of Sun and experimentally measured complex refractive index of perovskite material are employed in the detailed balance model. The roles of light trapping and angular restriction in improving the maximal output power of thin-film perovskite solar cells are also clarified. The efficiency limit of perovskite cells (without the angular restriction) is about 31%, which approaches to Shockley-Queisser limit (33%) achievable by gallium arsenide (GaAs) cells. Moreover, the Shockley-Queisser limit could be reached with a 200 nm-thick perovskite solar cell, through integrating a wavelength-dependent angular-restriction design with a textured light-trapping structure. Additionally, the influence of the trap-assisted nonradiative recombination on the device efficiency is investigated. The work is fundamentally important to high-performance perovskite photovoltaics.

  5. Density Functional Studies of Stoichiometric Surfaces of Orthorhombic Hybrid Perovskite CH3NH3PbI3

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

    Wang, Yun; Huang, Jingsong; Sumpter, Bobby G.; Zhang, Haimin; Liu, Porun; Yang, Huagui; Zhao, Huijun

    2014-12-19

    Organic/inorganic hybrid perovskite materials are highly attractive for dye-sensitized solar cells as demonstrated by their rapid advances in energy conversion efficiency. In this work, the structures, energetics, and electronic properties for a range of stoichiometric surfaces of the orthorhombic perovskite CH3NH3PbI3 are theoretically studied using density functional theory. Various possible spatially and constitutionally isomeric surfaces are considered by diversifying the spatial orientations and connectivities of surface Pb-I bonds. The comparison of the surface energies for the most stable configurations identified for various surfaces shows that the stabilities of stoichiometric surfaces are mainly dictated by the coordination numbers of surface atoms,more » which are directly correlated with the numbers of broken bonds. Additionally, Coulombic interactions between I anions and organic countercations on the surface also contribute to the stabilization. Electronic properties are compared between the most stable (100) surface and the bulk phase, showing generally similar features except for the lifted band degeneracy and the enhanced bandgap energy for the surface. These studies on the stoichiometric surfaces serve as the first step toward gaining a fundamental understanding of the interfacial properties in the current structural design of perovskite based solar cells, in order to achieve further breakthroughs in solar conversion efficiencies.« less

  6. Density Functional Studies of Stoichiometric Surfaces of Orthorhombic Hybrid Perovskite CH3NH3PbI3

    SciTech Connect (OSTI)

    Wang, Yun; Huang, Jingsong; Sumpter, Bobby G; Zhang, Haimin; Liu, Porun; Yang, Huagui; Zhao, Huijun

    2015-01-01

    Organic/inorganic hybrid perovskite materials are highly attractive for dye-sensitized solar cells as demonstrated by their rapid advances in energy conversion efficiency. In this work, the structures, energetics, and electronic properties for a range of stoichiometric surfaces of the orthorhombic perovskite CH3NH3PbI3 are theoretically studied using density functional theory. Various possible spatially and constitutionally isomeric surfaces are considered by diversifying the spatial orientations and connectivities of surface Pb-I bonds. The comparison of the surface energies for the most stable configurations identified for various surfaces shows that the stabilities of stoichiometric surfaces are mainly dictated by the coordination numbers of surface atoms, which are directly correlated with the numbers of broken bonds. Additionally, Coulombic interactions between I anions and organic countercations on the surface also contribute to the stabilization. Electronic properties are compared between the most stable (100) surface and the bulk phase, showing generally similar features except for the lifted band degeneracy and the enhanced bandgap energy for the surface. These studies on the stoichiometric surfaces serve as the first step toward gaining a fundamental understanding of the interfacial properties in the current structural design of perovskite based solar cells, in order to achieve further breakthroughs in solar conversion efficiencies.

  7. Demonstration of isotype GaN/AlN/GaN heterobarrier diodes by NH{sub 3}-molecular beam epitaxy

    SciTech Connect (OSTI)

    Fireman, Micha N.; Browne, David A.; Mazumder, Baishakhi; Speck, James S.; Mishra, Umesh K.

    2015-05-18

    The results of vertical transport through nitride heterobarrier structures grown by ammonia molecular beam epitaxy are presented. Structures are designed with binary layers to avoid the effects of random alloy fluctuations in ternary nitride barriers. The unintentional incorporation of Ga in the AlN growth is investigated by atom probe tomography and is shown to be strongly dependent on both the NH{sub 3} flowrate and substrate temperature growth parameters. Once nominally pure AlN layer growth conditions are achieved, structures consisting of unintentionally doped (UID) GaN spacer layers adjacent to a nominally pure AlN are grown between two layers of n+ GaN, from which isotype diodes are fabricated. Varying the design parameters of AlN layer thickness, UID spacer layer thickness, and threading dislocation density show marked effects on the vertical transport characteristics of these structures. The lack of significant temperature dependence, coupled with Fowler-Nordheim and/or Milliken-Lauritsen analysis, point to a prevalently tunneling field emission mechanism through the AlN barrier. Once flatband conditions in the UID layer are achieved, electrons leave the barrier with significant energy. This transport mechanism is of great interest for applications in hot electron structures.

  8. Fatty acid analogs

    DOE Patents [OSTI]

    Elmaleh, David R.; Livni, Eli

    1985-01-01

    In one aspect, a radioactively labeled analog of a fatty acid which is capable of being taken up by mammalian tissue and which exhibits an in vivo beta-oxidation rate below that with a corresponding radioactively labeled fatty acid.

  9. Mixed Acid Oxidation

    SciTech Connect (OSTI)

    Pierce, R.A.

    1999-10-26

    Several non-thermal processes have been developed to destroy organic waste compounds using chemicals with high oxidation potentials. These efforts have focused on developing technologies that work at low temperatures, relative to incineration, to overcome many of the regulatory issues associated with obtaining permits for waste incinerators. One such technique with great flexibility is mixed acid oxidation. Mixed acid oxidation, developed at the Savannah River Site, uses a mixture of an oxidant (nitric acid) and a carrier acid (phosphoric acid). The carrier acid acts as a non-volatile holding medium for the somewhat volatile oxidant. The combination of acids allows appreciable amounts of the concentrated oxidant to remain in the carrier acid well above the oxidant''s normal boiling point.

  10. PRODUCTION OF TRIFLUOROACETIC ACID

    DOE Patents [OSTI]

    Haworth, W.N.; Stacey, M.

    1949-07-19

    A method is given for the production of improved yields of trifluoroacetic acid. The compound is prepared by oxidizing m-aminobenzotrifluoride with an alkali metal or alkaline earth metal permanganate at a temperature in the range of 80 deg C to 100 deg C while dissolved ln a mixture of water with glacial acetic acid and/or trifluoroacetic acid. Preferably a mixture of water and trifluoroacetic acid ls used as the solvent.

  11. Plant fatty acid hydroxylases

    DOE Patents [OSTI]

    Somerville, Chris; Broun, Pierre; van de Loo, Frank

    2001-01-01

    This invention relates to plant fatty acyl hydroxylases. Methods to use conserved amino acid or nucleotide sequences to obtain plant fatty acyl hydroxylases are described. Also described is the use of cDNA clones encoding a plant hydroxylase to produce a family of hydroxylated fatty acids in transgenic plants. In addition, the use of genes encoding fatty acid hydroxylases or desaturases to alter the level of lipid fatty acid unsaturation in transgenic plants is described.

  12. Secondary economic impact of acid deposition control legislation in six coal producing states: Final report

    SciTech Connect (OSTI)

    Scott, M.J.; Guthrie, S.J.

    1988-12-01

    Among the difficult policy questions on the US environmental agenda is what to do about emissions to the earth's atmosphere of pollutants that may result in ''acid rain''. The Congress has considered several pieces of legislation spelling out potential approaches to the problem and setting goals for emission reduction, mostly emphasizing the control of oxides of sulfur and nitrogen. Significant policy concern is the dollar costs to the nation's economy of achieving the intended effects of the legislation and the potential impacts on economic activity---in particular, losses of both coal mining and secondary service sector employment in states and regions dependent on the mining of high sulfur coal. There are several direct economic effects of regulations such as the acid rain control legislation. One of the more obvious effects was the switching from high sulfur coal to low sulfur coal. This would result in increases in employment and coal business procurements in low sulfur coal mining regions, but also would result in lower employment and lower coal business procurements in high sulfur coal mining areas. The potential negative effects are the immediate policy concern and are the focus of this report. 15 refs., 1 fig., 17 tabs.

  13. Cleavage of nucleic acids

    DOE Patents [OSTI]

    Prudent, James R.; Hall, Jeff G.; Lyamichev, Victor I.; Brow, Mary Ann D.; Dahlberg, James E.

    2000-01-01

    The present invention relates to means for the detection and characterization of nucleic acid sequences, as well as variations in nucleic acid sequences. The present invention also relates to methods for forming a nucleic acid cleavage structure on a target sequence and cleaving the nucleic acid cleavage structure in a site-specific manner. The structure-specific nuclease activity of a variety of enzymes is used to cleave the target-dependent cleavage structure, thereby indicating the presence of specific nucleic acid sequences or specific variations thereof.

  14. Cleavage of nucleic acids

    DOE Patents [OSTI]

    Prudent, James R.; Hall, Jeff G.; Lyamichev, Victor L.; Brow, Mary Ann D.; Dahlberg, James E.

    2007-12-11

    The present invention relates to means for the detection and characterization of nucleic acid sequences, as well as variations in nucleic acid sequences. The present invention also relates to methods for forming a nucleic acid cleavage structure on a target sequence and cleaving the nucleic acid cleavage structure in a site-specific manner. The structure-specific nuclease activity of a variety of enzymes is used to cleave the target-dependent cleavage structure, thereby indicating the presence of specific nucleic acid sequences or specific variations thereof.

  15. Nucleic acid detection assays

    DOE Patents [OSTI]

    Prudent, James R.; Hall, Jeff G.; Lyamichev, Victor I.; Brow, Mary Ann; Dahlberg, James E.

    2005-04-05

    The present invention relates to means for the detection and characterization of nucleic acid sequences, as well as variations in nucleic acid sequences. The present invention also relates to methods for forming a nucleic acid cleavage structure on a target sequence and cleaving the nucleic acid cleavage structure in a site-specific manner. The structure-specific nuclease activity of a variety of enzymes is used to cleave the target-dependent cleavage structure, thereby indicating the presence of specific nucleic acid sequences or specific variations thereof.

  16. Nucleic acid detection compositions

    DOE Patents [OSTI]

    Prudent, James R.; Hall, Jeff G.; Lyamichev, Victor I.; Brow, Mary Ann; Dahlberg, James L.

    2008-08-05

    The present invention relates to means for the detection and characterization of nucleic acid sequences, as well as variations in nucleic acid sequences. The present invention also relates to methods for forming a nucleic acid cleavage structure on a target sequence and cleaving the nucleic acid cleavage structure in a site-specific manner. The structure-specific nuclease activity of a variety of enzymes is used to cleave the target-dependent cleavage structure, thereby indicating the presence of specific nucleic acid sequences or specific variations thereof.

  17. Cleavage of nucleic acids

    DOE Patents [OSTI]

    Prudent, James R.; Hall, Jeff G.; Lyamichev, Victor I.; Brow; Mary Ann D.; Dahlberg, James E.

    2010-11-09

    The present invention relates to means for the detection and characterization of nucleic acid sequences, as well as variations in nucleic acid sequences. The present invention also relates to methods for forming a nucleic acid cleavage structure on a target sequence and cleaving the nucleic acid cleavage structure in a site-specific manner. The structure-specific nuclease activity of a variety of enzymes is used to cleave the target-dependent cleavage structure, thereby indicating the presence of specific nucleic acid sequences or specific variations thereof.

  18. Nucleic acid detection kits

    DOE Patents [OSTI]

    Hall, Jeff G.; Lyamichev, Victor I.; Mast, Andrea L.; Brow, Mary Ann; Kwiatkowski, Robert W.; Vavra, Stephanie H.

    2005-03-29

    The present invention relates to means for the detection and characterization of nucleic acid sequences, as well as variations in nucleic acid sequences. The present invention also relates to methods for forming a nucleic acid cleavage structure on a target sequence and cleaving the nucleic acid cleavage structure in a site-specific manner. The structure-specific nuclease activity of a variety of enzymes is used to cleave the target-dependent cleavage structure, thereby indicating the presence of specific nucleic acid sequences or specific variations thereof. The present invention further relates to methods and devices for the separation of nucleic acid molecules based on charge. The present invention also provides methods for the detection of non-target cleavage products via the formation of a complete and activated protein binding region. The invention further provides sensitive and specific methods for the detection of nucleic acid from various viruses in a sample.

  19. Calorimetric, spectroscopic and structural investigations of phase polymorphism in [Ru(NH{sub 3}){sub 6}](BF{sub 4}){sub 3}. Part I

    SciTech Connect (OSTI)

    Dolega, Diana; Mikuli, Edward; Inaba, Akira; Gorska, Natalia; Holderna-Natkaniec, Krystyna; Nitek, Wojciech

    2013-01-15

    Four crystalline phases of the coordination compound [Ru(NH{sub 3}){sub 6}](BF{sub 4}){sub 3} are identified by adiabatic calorimetry. Three phase transitions, one at T{sub C3}(IV{yields}III)=30.7 K, the second at T{sub C2}(III{yields}II)=91.7 K (both accompanied by comparable entropy changes 3.0 and 3.1 J K{sup -1} mol{sup -1}, respectively) and the third at T{sub C1}(II{yields}I)=241.6 K (accompanied by an entropy change of 8.1 J K{sup -1} mol{sup -1}) were discovered. X-ray single crystal diffraction (at 293 K) demonstrates that phase I is a highly dynamic disordered cubic phase (Fm3{sup Macron }m, No. 225) with two types of BF{sub 4}{sup -} anions differing in a degree of disorder. In phase II (at 170 K) the structure remains cubic (Ia3{sup Macron }, No. 206), with two different types of cations and four different types of anions. Splitting of certain IR bands connected with NH{sub 3} ligands at the observed phase transitions suggests a lowering of the symmetry of the [Ru(NH{sub 3}){sub 6}]{sup 3+} complex cation. Both NH{sub 3} ligands and BF{sub 4}{sup -} anions perform fast reorientations ({tau}{sub R} Almost-Equal-To 10{sup -12} s), which are significantly slowed down below the phase transition at T{sub C3}. {sup 1}H NMR studies led to estimate the values of the activation energy of NH{sub 3} ligands reorientation in the phases II and I as equal to {approx}8 kJ mol{sup -1}. In phase I the whole hexammineruthenium(III) cations reorientation as a tumbling process can be noticed. The activation energy value of this motion is {approx}24 kJ mol{sup -1}. {sup 19}F NMR studies give the values of the activation energy of BF{sub 4}{sup -} anions reorientation as {approx}6 kJ mol{sup -1}. Above the phase transition temperature half of BF{sub 4}{sup -} anions perform a tumbling motion with E{sub a} Almost-Equal-To 8 kJ mol{sup -1}. - Graphical abstract: A series of complementary methods, such as Adiabatic Calorimetry, Differential Scanning Calorimetry, Fourier

  20. van der Waals forces and confinement in carbon nanopores: Interaction between CH4, COOH, NH3, OH, SH and single-walled carbon nanotubes

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

    Weck, Philippe F.; Kim, Eunja; Wang, Yifeng

    2016-04-13

    Interactions between CH4, COOH, NH3, OH, SH and armchair (n,n)(n=4,7,14) and zigzag (n,0)(n=7,12,25) single-walled carbon nanotubes (SWCNTs) have been systematically investigated within the framework of dispersion-corrected density functional theory (DFT-D2). Endohedral and exohedral molecular adsorption on SWCNT walls is energetically unfavorable or weak, despite the use of C6/r6 pairwise London-dispersion corrections. The effects of pore size and chirality on the molecule/SWCNTs interaction were also assessed. Furthermore, chemisorption of COOH, NH3, OH and SH at SWCNT edge sites was examined using a H-capped (7,0) SWCNT fragment and its impact on electrophilic, nucleophilic and radical attacks was predicted by means of Fukuimore » functions.« less

  1. Process for the preparation of lactic acid and glyceric acid

    DOE Patents [OSTI]

    Jackson, James E [Haslett, MI; Miller, Dennis J [Okemos, MI; Marincean, Simona [Dewitt, MI

    2008-12-02

    Hexose and pentose monosaccharides are degraded to lactic acid and glyceric acid in an aqueous solution in the presence of an excess of a strongly anionic exchange resin, such as AMBERLITE IRN78 and AMBERLITE IRA400. The glyceric acid and lactic acid can be separated from the aqueous solution. Lactic acid and glyceric acid are staple articles of commerce.

  2. Microorganisms for producing organic acids

    SciTech Connect (OSTI)

    Pfleger, Brian Frederick; Begemann, Matthew Brett

    2014-09-30

    Organic acid-producing microorganisms and methods of using same. The organic acid-producing microorganisms comprise modifications that reduce or ablate AcsA activity or AcsA homolog activity. The modifications increase tolerance of the microorganisms to such organic acids as 3-hydroxypropionic acid, acrylic acid, propionic acid, lactic acid, and others. Further modifications to the microorganisms increase production of such organic acids as 3-hydroxypropionic acid, lactate, and others. Methods of producing such organic acids as 3-hydroxypropionic acid, lactate, and others with the modified microorganisms are provided. Methods of using acsA or homologs thereof as counter-selectable markers are also provided.

  3. The Origin and Coupling Mechanism of the Magnetoelectric Effect in TM Cl 2 -4SC(NH 2 ) 2 ( TM = Ni and Co)

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

    Mun, Eundeok; Wilcox, Jason; Manson, Jamie L.; Scott, Brian; Tobash, Paul; Zapf, Vivien S.

    2014-01-01

    Most research on multiferroics and magnetoelectric effects to date has focused on inorganic oxides. Molecule-based materials are a relatively new field in which to search for magnetoelectric multiferroics and to explore new coupling mechanisms between electric and magnetic order. We present magnetoelectric behavior in NiCl 2 -4SC(NH 2 ) 2 (DTN) and CoCl 2 -4SC(NH 2 ) 2 (DTC). These compounds form tetragonal structures where the transition metal ion (Ni or Co) is surrounded by four electrically polar thiourea molecules [SC(NH 2 ) 2 ]. By tracking the magnetic and electric properties of these compounds as a function ofmore » magnetic field, we gain insights into the coupling mechanism by observing that, in DTN, the electric polarization tracks the magnetic ordering, whereas in DTC it does not. For DTN, all electrically polar thiourea molecules tilt in the same direction along the c -axis, breaking spatial-inversion symmetry, whereas, for DTC, two thiourea molecules tilt up and two tilt down with respect to c -axis, perfectly canceling the net electrical polarization. Thus, the magnetoelectric coupling mechanism in DTN is likely a magnetostrictive adjustment of the thiourea molecule orientation in response to magnetic order.« less

  4. Electron-hole diffusion lengths >175 μm in solution-grown CH3NH3PbI3 single crystals

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

    Dong, Qingfeng; Fang, Yanjun; Shao, Yuchuan; Mulligan, Padhraic; Qiu, Jie; Cao, Lei; Huang, Jinsong

    2015-02-27

    Long, balanced electron and hole diffusion lengths greater than 100 nanometers in the polycrystalline organolead trihalide compound CH3NH3PbI3 are critical for highly efficient perovskite solar cells. We found that the diffusion lengths in CH3NH3PbI3 single crystals grown by a solution-growth method can exceed 175 micrometers under 1 sun (100 mW cm–2) illumination and exceed 3 millimeters under weak light for both electrons and holes. The internal quantum efficiencies approach 100% in 3-millimeter-thick single-crystal perovskite solar cells under weak light. These long diffusion lengths result from greater carrier mobility, longer lifetime, and much smaller trap densities in the single crystals thanmore » in polycrystalline thin films. As a result, the long carrier diffusion lengths enabled the use of CH3NH3PbI3 in radiation sensing and energy harvesting through the gammavoltaic effect, with an efficiency of 3.9% measured with an intense cesium-137 source.« less

  5. Modeling of plasma chemistry in an atmospheric pressure Ar/NH{sub 3} cylindrical dielectric barrier discharge described using the one-dimensional fluid model

    SciTech Connect (OSTI)

    Li Zhi [School of Science, University of Science and Technology Liaoning, Anshan 114051 (China); School of Physics and Optoelectronic Engineering, Dalian University of Technology, Dalian 116024 (China); Zhao Zhen [School of Chemistry and Life Science, Anshan Normal University, Anshan 114007 (China); School of Chemical Engineering, University of Science and Technology Liaoning, Anshan 114051 (China); Li Xuehui [Physical Science and Technical College, Dalian University, Dalian 116622 (China)

    2013-01-15

    The keynote of our research is to study the gas phase chemistry in an atmospheric pressure Ar/NH{sub 3} cylindrical dielectric barrier discharge, which is very important to produce the iron-nitride magnetic fluid. For this purpose, a home-made one dimensional fluid model with the Scharfetter-Gummel method has been developed. The equations solved are the particle balances, assuming a drift-diffusion approximation for the fluxes, and the electron energy equation. The self-consistent electric field is obtained by the simultaneous solution of Poisson's equation. The simulations were carried out for the different ammonia concentrations (2%, 3.5%, and 7%), at a voltage of 1 kV, and a driving frequency of 20 kHz. It concluded that the major ion products of Ar are Ar{sup +} and Ar{sub 2}{sup +}. Ar{sup +} is the most important positive ions, followed by Ar{sub 2}{sup +}. It is shown that the NH{sup +} density is smaller than that of the other ammonia ions. The density of NH{sub 4}{sup +} is more than that of the other ammonia ions when the ammonia concentration increased. The diffuse mode can be established after the discharge was ignited, and the mode changes to filamentary mode with an increase in ammonia concentration.

  6. Synthesis, crystal growth, structural and magnetic characterization of NH4MCl2(HCOO), M=(Fe, Co, Ni)

    SciTech Connect (OSTI)

    Greenfield, Joshua T.; Ovidiu Garlea, V.; Kamali, Saeed; Chen, Michael; Kovnir, Kirill

    2015-09-24

    In this paper, an ambient-pressure solution route and an improved solvothermal synthetic method have been developed to produce polycrystalline powders and large single crystals of NH4MCl2(HCOO) (M=Fe, Co, Ni). The magnetic structure of the 1D linear chain compound NH4FeCl2(HCOO) has been determined by low-temperature neutron powder diffraction, revealing ferromagnetic intra-chain interactions and antiferromagnetic inter-chain interactions. Finally, the newly-reported Co and Ni analogs are isostructural with NH4FeCl2(HCOO), but there are significant differences in the magnetic properties of each compound; the Ni analog behaves similarly to the Fe compound but with stronger magnetic coupling, exhibiting antiferromagnetic ordering (TN=8.5 K) and a broad metamagnetic transition between 2 and 5 T, while the Co analog does not order magnetically above 2 K, despite strong antiferromagnetic nearest-neighbor interactions.

  7. Electron-hole diffusion lengths >175 μm in solution-grown CH3NH3PbI3 single crystals

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

    Dong, Qingfeng; Fang, Yanjun; Shao, Yuchuan; Mulligan, Padhraic; Qiu, Jie; Cao, Lei; Huang, Jinsong

    2015-02-27

    Long, balanced electron and hole diffusion lengths greater than 100 nanometers in the polycrystalline organolead trihalide compound CH3NH3PbI3 are critical for highly efficient perovskite solar cells. We found that the diffusion lengths in CH3NH3PbI3 single crystals grown by a solution-growth method can exceed 175 micrometers under 1 sun (100 mW cm–2) illumination and exceed 3 millimeters under weak light for both electrons and holes. The internal quantum efficiencies approach 100% in 3-millimeter-thick single-crystal perovskite solar cells under weak light. These long diffusion lengths result from greater carrier mobility, longer lifetime, and much smaller trap densities in the single crystals thanmore »in polycrystalline thin films. As a result, the long carrier diffusion lengths enabled the use of CH3NH3PbI3 in radiation sensing and energy harvesting through the gammavoltaic effect, with an efficiency of 3.9% measured with an intense cesium-137 source.« less

  8. Recovery of organic acids

    DOE Patents [OSTI]

    Verser, Dan W. (Menlo Park, CA); Eggeman, Timothy J. (Lakewood, CO)

    2011-11-01

    A method is disclosed for the recovery of an organic acid from a dilute salt solution in which the cation of the salt forms an insoluble carbonate salt. A tertiary amine and CO.sub.2 are introduced to the solution to form the insoluble carbonate salt and a complex between the acid and an amine. A water immiscible solvent, such as an alcohol, is added to extract the acid/amine complex from the dilute salt solution to a reaction phase. The reaction phase is continuously dried and a product between the acid and the solvent, such as an ester, is formed.

  9. Reversible Acid Gas Capture

    ScienceCinema (OSTI)

    Dave Heldebrant

    2012-12-31

    Pacific Northwest National Laboratory scientist David Heldebrant demonstrates how a new process called reversible acid gas capture works to pull carbon dioxide out of power plant emissions.

  10. Recovery of organic acids

    DOE Patents [OSTI]

    Verser, Dan W. (Golden, CO); Eggeman, Timothy J. (Lakewood, CO)

    2009-10-13

    A method is disclosed for the recovery of an organic acid from a dilute salt solution in which the cation of the salt forms an insoluble carbonate salt. A tertiary amine and CO.sub.2 are introduced to the solution to form the insoluble carbonate salt and a complex between the acid and an amine. A water immiscible solvent, such as an alcohol, is added to extract the acid/amine complex from the dilute salt solution to a reaction phase. The reaction phase is continuously dried and a product between the acid and the solvent, such as an ester, is formed.

  11. ARM - Instrument - rain

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

    Site TMP M1 Browse Data U. of Helsinki Research Station (SMEAR II), Hyytiala, Finland; AMF2 retired Originating instrument has been retired at this location Contact(s)...

  12. Rain Machine (Solar Still)

    K-12 Energy Lesson Plans and Activities Web site (EERE)

    Working in groups, students build simple solar stills filled with salt water and observe what happens when the stills are placed in the sun. The students then taste the water they have collected and discuss what has happened in their stills.

  13. ARM - Datastreams - rain

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

    0:00 basetime Record with error unitless errorlatch ( time ) Frequency average, sensor 1 Hz frequency1 ( time ) Frequency average, sensor 2 Hz frequency2 ( time ) Frequency...

  14. ARM - Cloud and Rain

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

    Barrow, Alaska Tropical Western Pacific Site Tours Contacts Students Study Hall About ARM Global Warming FAQ Just for Fun Meet our Friends Cool Sites Teachers Teachers' Toolbox ...

  15. ARM - Campaign Instrument - rain

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

    of the Green Ocean Amazon (GOAMAZON 2014) Download Data Manacapuru, Amazonas, Brazil; Mobile Facility, 2014.01.01 - 2014.12.31 Primary Measurements Taken The following...

  16. Mutant fatty acid desaturase

    DOE Patents [OSTI]

    Shanklin, John; Cahoon, Edgar B.

    2004-02-03

    The present invention relates to a method for producing mutants of a fatty acid desaturase having a substantially increased activity towards fatty acid substrates with chains containing fewer than 18 carbons relative to an unmutagenized precursor desaturase having an 18 carbon atom chain length substrate specificity. The method involves inducing one or more mutations in the nucleic acid sequence encoding the precursor desaturase, transforming the mutated sequence into an unsaturated fatty acid auxotroph cell such as MH13 E. coli, culturing the cells in the absence of supplemental unsaturated fatty acids, thereby selecting for recipient cells which have received and which express a mutant fatty acid desaturase with an elevated specificity for fatty acid substrates having chain lengths of less than 18 carbon atoms. A variety of mutants having 16 or fewer carbon atom chain length substrate specificities are produced by this method. Mutant desaturases produced by this method can be introduced via expression vectors into prokaryotic and eukaryotic cells and can also be used in the production of transgenic plants which may be used to produce specific fatty acid products.

  17. Syntheses and crystal structures of a series of new divalent metal phosphonates with imino-bis(methylphosphonic acid)

    SciTech Connect (OSTI)

    Yang Bingping; Prosvirin, Andrey V.; Zhao, Han-Hua; Mao, Jiang-Gao . E-mail: mjg@ms.fjirsm.ac.cn

    2006-01-15

    Hydrothermal reactions of divalent transition metal salts with imino-bis(methylphosphonic acid), NH(CH{sub 2}PO{sub 3}H{sub 2}){sub 2} (H{sub 4}L) afforded three new metal phosphonates, namely, Cu[NH(CH{sub 2}PO{sub 3}H){sub 2}] 1, {l_brace}Co[NH{sub 2}(CH{sub 2}PO{sub 3}H)(CH{sub 2}PO{sub 3})](H{sub 2}O){sub 2}{r_brace}.H{sub 2}O 2 and Mn[NH{sub 2}(CH{sub 2}PO{sub 3}H)(CH{sub 2}PO{sub 3})](H{sub 2}O) 3. When HO{sub 2}C(CH{sub 2}){sub 3}N(CH{sub 2}PO{sub 3}H{sub 2}){sub 2} was used as the phosphonate ligand and 4,4'-bipy as the second metal linker, {l_brace}Cu{sub 4}[NH(CH{sub 2}PO{sub 3}){sub 2}]{sub 2}(4,4'-bipy)(H{sub 2}O){sub 4}{r_brace}.9H{sub 2}O 4 with a pillared layered architecture was obtained. The NH(CH{sub 2}PO{sub 3}){sub 2} anion resulted from the cleavage of the HO{sub 2}C(CH{sub 2}){sub 3}-group during the reaction. Although compounds 1-3 have a same M/L ratio (1:1), they exhibit totally different structures.Compound 1 has a linear chain structure, in which each pair of square-pyramidal coordinated copper(II) ions are bridged by two phosphonate oxygen atoms to form a Cu{sub 2}O{sub 2} dimeric unit, and such dimeric units are further interconnected via phosphonate groups to form a [010] chain. Compound 2 has a layered architecture built from CoO{sub 6} octahedra bridged by phosphonate ligands. In compound 3, the interconnection of the manganese(II) ions by bridging imino-diphosphonate ligands leads to a 3D network. Compound 4 has a pillar-layered structure, the layers composed of Cu(II) ions bridged by aminodiphosphonate ligands are interconnected by 4,4'-bipy ligands to form channels along c-axis. Several factors that affect the structures of the metal phosphonates formed have also been discussed. Compounds 2 and 3 show predominant antiferromagnetic interactions between magnetic centers. -- Graphical abstract: Four new metal phosphonates, namely, Cu[NH(CH{sub 2}PO{sub 3}H){sub 2}] 1, {l_brace}Co[NH{sub 2}(CH{sub 2}PO{sub 3}H)(CH{sub 2}PO{sub 3})](H

  18. Exploiting parameter space in MOFs: a 20-fold enhancement of phosphate-ester hydrolysis with UiO-66-NH 2

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

    Katz, Michael J.; Moon, Su-Young; Mondloch, Joseph E.; Beyzavi, M. Hassan; Stephenson, Casey J.; Hupp, Joseph T.; Farha, Omar K.

    2015-02-24

    The hydrolysis of nerve agents is of primary concern due to the severe toxicity of these agents. Using a MOF-based catalyst (UiO-66), we have previously demonstrated that the hydrolysis can occur with relatively fast half-lives of 50 minutes. However, these rates are still prohibitively slow to be efficiently utilized for some practical applications (e.g., decontamination wipes used to clean exposed clothing/skin/vehicles). We thus turned our attention to derivatives of UiO-66 in order to probe the importance of functional groups on the hydrolysis rate. Three UiO-66 derivatives were explored; UiO-66-NO2 and UiO-66-(OH)2 showed little to no change in hydrolysis rate. However,more » UiO-66-NH2 showed a 20 fold increase in hydrolysis rate over the parent UiO-66 MOF. Half-lives of 1 minute were observed with this MOF. In order to probe the role of the amino moiety, we turned our attention to UiO-67, UiO-67-NMe2 and UiO-67-NH2. In these MOFs, the amino moiety is in close proximity to the zirconium node. We observed that UiO-67-NH2 is a faster catalyst than UiO-67 and UiO-67-NMe2. We conclude that the role of the amino moiety is to act as a proton-transfer agent during the catalytic cycle and not to hydrogen bond or to form a phosphorane intermediate.« less

  19. Regulatory Safety Issues in the Structural Design Criteria of ASME Section III Subsection NH and for Very High Temperatures for VHTR & GEN IV

    SciTech Connect (OSTI)

    William J. O’Donnell; Donald S. Griffin

    2007-05-07

    The objective of this task is to identify issues relevant to ASME Section III, Subsection NH [1], and related Code Cases that must be resolved for licensing purposes for VHTGRs (Very High Temperature Gas Reactor concepts such as those of PBMR, Areva, and GA); and to identify the material models, design criteria, and analysis methods that need to be added to the ASME Code to cover the unresolved safety issues. Subsection NH was originally developed to provide structural design criteria and limits for elevated-temperature design of Liquid Metal Fast Breeder Reactor (LMFBR) systems and some gas-cooled systems. The U.S. Nuclear Regulatory Commission (NRC) and its Advisory Committee for Reactor Safeguards (ACRS) reviewed the design limits and procedures in the process of reviewing the Clinch River Breeder Reactor (CRBR) for a construction permit in the late 1970s and early 1980s, and identified issues that needed resolution. In the years since then, the NRC and various contractors have evaluated the applicability of the ASME Code and Code Cases to high-temperature reactor designs such as the VHTGRs, and identified issues that need to be resolved to provide a regulatory basis for licensing. This Report describes: (1) NRC and ACRS safety concerns raised during the licensing process of CRBR , (2) how some of these issues are addressed by the current Subsection NH of the ASME Code; and (3) the material models, design criteria, and analysis methods that need to be added to the ASME Code and Code Cases to cover unresolved regulatory issues for very high temperature service.

  20. Synthesis and Evaluation of Cu/SAPO-34 Catalysts for NH3-SCR 2: Solid-state Ion Exchange and One-pot Synthesis

    SciTech Connect (OSTI)

    Gao, Feng; Walter, Eric D.; Washton, Nancy M.; Szanyi, Janos; Peden, Charles HF

    2015-01-01

    Cu-SAPO-34 catalysts are synthesized using two methods: solid-state ion exchange (SSIE) and one-pot synthesis. SSIE is conducted by calcining SAPO-34/CuO mixtures at elevated temperatures. For the one-pot synthesis method, Cu-containing chemicals (CuO and CuSO4) are added during gel preparation. A high-temperature calcination step is also needed for this method. Catalysts are characterized with surface area/pore volume measurements, temperature programmed reduction (TPR), electron paramagnetic resonance (EPR) and nuclear magnetic resonance (NMR) spectroscopies, and scanning electron microscopy (SEM). Catalytic properties are examined using standard ammonia selective catalytic reduction (NH3-SCR) and ammonia oxidation reactions. In Cu-SAPO-34 samples formed using SSIE, Cu presents both as isolated Cu2+ ions and unreacted CuO. The former is highly active and selective in NH3-SCR, while the latter catalyzes a side reaction; notably, the non-selective oxidation of NH3 above 350 ºC. Using the one-pot method followed by a high-temperature aging treatment, it is possible to form Cu SAPO-34 samples with predominately isolated Cu2+ ions at low Cu loadings. However at much higher Cu loadings, isolated Cu2+ ions that bind weakly with the CHA framework and CuO clusters also form. These Cu moieties are very active in catalyzing non-selective NH3 oxidation above 350 ºC. Low-temperature reaction kinetics indicate that Cu-SAPO-34 samples formed using SSIE have core-shell structures where Cu is enriched in the shell layers; while Cu is more evenly distributed within the one-pot samples. Reaction kinetics also suggest that at low temperatures, the local environment next to Cu2+ ion centers plays little role on the overall catalytic properties. The authors gratefully acknowledge the US Department of Energy (DOE), Energy Efficiency and Renewable Energy, Vehicle Technologies Office for the support of this work. The research described in this paper was performed at the Environmental

  1. Effects of gaseous NH{sub 3} and SO{sub 2} on the concentration profiles of PCDD/F in flyash under post-combustion zone conditions

    SciTech Connect (OSTI)

    Hajizadeh, Yaghoub; Onwudili, Jude A.; Williams, Paul T.

    2012-07-15

    Highlights: Black-Right-Pointing-Pointer Influence of NH{sub 3} and SO{sub 2} on 2378-PCDD/F in flyash and flue gases was investigated. Black-Right-Pointing-Pointer NH{sub 3} decreased the concentration of PCDD and PCDF by 34-75% in the flyash. Black-Right-Pointing-Pointer NH{sub 3} decreased the concentration of PCDD and PCDF by 21-40% from the flue gases. Black-Right-Pointing-Pointer SO{sub 2} led to 99% PCDD and 93% PCDF reductions in the flyash. Black-Right-Pointing-Pointer SO{sub 2} led to 89% PCDD and 76% PCDF reductions in the flue gases. - Abstract: The influence of gaseous ammonia and sulphur dioxide on the formation of 2378-substituted PCDD/F on a reference flyash from a municipal waste incinerator has been investigated using a laboratory scale fixed-bed reactor. The reference flyash samples (BCR-490) was reacted under a simulated flue gas stream at temperatures of 225 and 375 Degree-Sign C for 96 h. The experiments were carried out in two series: first with simulated flue gas alone, and then with injection of NH{sub 3} or SO{sub 2} gas into the flue gas just before the reactor inlet. It was found that the injection of gaseous ammonia into the flue gas could decrease the concentration of both PCDD and PCDF by 34-75% from the solid phase and by 21-40% from the gas phase. Converting the results to I-TEQ values, it could reduce the total I-TEQ values of PCDD and PCDF in the sum of the flyash and exhaust flue gas by 42-75% and 24-57% respectively. The application of SO{sub 2} led to 99% and 93% reductions in the PCDD and PCDF average congener concentrations, respectively in the solid phase. In the gas phase, the total reductions were 89% and 76% for PCDD and PCDF, respectively. Moreover, addition of SO{sub 2} reduced the total I-TEQ value of PCDD and PCDF in the flyash and exhaust flue gas together by 60-86% and 72-82% respectively. Sulphur dioxide was more effective than ammonia in suppressing PCDD/F formation in flyash under the conditions investigated.

  2. Destruction of acid gas emissions

    DOE Patents [OSTI]

    Mathur, Mahendra P. (Pittsburgh, PA); Fu, Yuan C. (Muroran, JP); Ekmann, James M. (Pittsburgh, PA); Boyle, John M. (Pittsburgh, PA)

    1991-01-01

    A method of destroying NO.sub.x and SO.sub.2 in a combustion gas in disclosed. The method includes generating active species by treating stable moleucles in a high temperature plasma. Ammonia, methane, steam, hydrogen, nitrogen or a combination of these gases can be selected as the stable molecules. The gases are subjected to plasma conditions sufficient to create free radicals, ions or excited atoms such as N, NH, NH.sub.2, OH.sup.-, CH and/or CH.sub.2. These active species are injected into a combustion gas at a location of sufficiently high temperature to maintain the species in active state and permit them to react with NO.sub.x and SO.sub.2. Typically the injection is made into the immediate post-combustion gases at temperatures of 475.degree.-950.degree. C.

  3. Method for isolating nucleic acids

    SciTech Connect (OSTI)

    Hurt, Jr., Richard Ashley; Elias, Dwayne A.

    2015-09-29

    The current disclosure provides methods and kits for isolating nucleic acid from an environmental sample. The current methods and compositions further provide methods for isolating nucleic acids by reducing adsorption of nucleic acids by charged ions and particles within an environmental sample. The methods of the current disclosure provide methods for isolating nucleic acids by releasing adsorbed nucleic acids from charged particles during the nucleic acid isolation process. The current disclosure facilitates the isolation of nucleic acids of sufficient quality and quantity to enable one of ordinary skill in the art to utilize or analyze the isolated nucleic acids for a wide variety of applications including, sequencing or species population analysis.

  4. Acid-base behavior in hydrothermal processing of wastes. 1997 annual progress report

    SciTech Connect (OSTI)

    1997-01-01

    'A major obstacle to the development of hydrothermal technology for treating DOE wastes has been a lack of scientific knowledge of solution chemistry, thermodynamics and transport phenomena. The progress over the last year is highlighted in the following four abstracts from manuscripts which have been submitted to journals. The authors also have made considerable progress on a spectroscopic study of the acid-base equilibria of Cr(VI). They have utilized novel spectroscopic indicators to study acid-base equilibria up to 380 C. Until now, very few systems have been studied at such high temperatures, although this information is vital for hydrothermal processing of wastes. The pH values of aqueous solutions of boric acid and KOH were measured with the optical indicator 2-naphthol at temperatures from 300 to 380 C. The equilibrium constant Kb-l for the reaction B(OH)3 + OH{sup -} = B(OH){sup -4} was determined from the pH measurements and correlated with a modified Born model. The titration curve for the addition of HCl to sodium borate exhibits strong acid-strong base behavior even at 350 C and 24.1 MPa. At these conditions, aqueous solutions of sodium borate buffer the pH at 9.6 t 0.25. submitted to Ind. Eng. Chem. Res. Acetic Acid and HCl Acid-base titrations for the KOH-acetic acid or NH{sub 3} -acetic acid systems were monitored with the optical indicator 2-naphthoic acid at 350 C and 34 MPa, and those for the HCl;Cl- system with acridine at 380 C and up to 34 MPa (5,000 psia ). KOH remains a much stronger base than NH,OH at high temperature. From 298 K to the critical temperature of water, the dissociation constant for HCl decreases by 13 orders of magnitude, and thus, the basicity of Cl{sup -} becomes significant. Consequently, the addition of NaCl to HCl raises the pH. The pH titration curves may be predicted with reasonable accuracy from the relevant equilibrium constants and Pitzer''s formulation of the Debye- Htickel equation for the activity coefficients.'

  5. Quantum wells on 3C-SiC/NH-SiC heterojunctions. Calculation of spontaneous polarization and electric field strength in experiments

    SciTech Connect (OSTI)

    Sbruev, I. S.; Sbruev, S. B.

    2010-10-15

    The results of experiments with quantum wells on 3C-SiC/4H-SiC and 3C-SiC/6H-SiC heterojunctions obtained by various methods are reconsidered. Spontaneous polarizations, field strengths, and energies of local levels in quantum wells on 3C-SiC/NH-SiC heterojunctions were calculated within a unified model. The values obtained are in agreement with the results of all considered experiments. Heterojunction types are determined. Approximations for valence band offsets on heterojunctions between silicon carbide polytypes and the expression for calculating local levels in quantum wells on the 3C-SiC/NH-SiC heterojunction are presented. The spontaneous polarizations and field strengths induced by spontaneous polarization on 3C-SiC/4H-SiC and 3C-SiC/6H-SiC heterojunctions were calculated as 0.71 and 0.47 C/m{sup 2} and 0.825 and 0.55 MV/cm, respectively.

  6. AFFECTS OF MECHANICAL MILLING AND METAL OXIDE ADDITIVES ON SORPTION KINETICS OF 1:1 LiNH2/MgH2 MIXTURE

    SciTech Connect (OSTI)

    Erdy, C.; Anton, D.; Gray, J.

    2010-12-08

    The destabilized complex hydride system composed of LiNH{sub 2}:MgH{sub 2} (1:1 molar ratio) is one of the leading candidates of hydrogen storage with a reversible hydrogen storage capacity of 8.1 wt%. A low sorption enthalpy of {approx}32 kJ/mole H{sub 2} was first predicted by Alapati et al. utilizing first principle density function theory (DFT) calculations and has been subsequently confirmed empirically by Lu et al. through differential thermal analysis (DTA). This enthalpy suggests that favorable sorption kinetics should be obtainable at temperatures in the range of 160 C to 200 C. Preliminary experiments reported in the literature indicate that sorption kinetics are substantially lower than expected in this temperature range despite favorable thermodynamics. Systematic isothermal and isobaric sorption experiments were performed using a Sievert's apparatus to form a baseline data set by which to compare kinetic results over the pressure and temperature range anticipated for use of this material as a hydrogen storage media. Various material preparation methods and compositional modifications were performed in attempts to increase the kinetics while lowering the sorption temperatures. This paper outlines the results of these systematic tests and describes a number of beneficial additions which influence kinetics as well as NH{sub 3} formation.

  7. Optical high acidity sensor

    DOE Patents [OSTI]

    Jorgensen, B.S.; Nekimken, H.L.; Carey, W.P.; O`Rourke, P.E.

    1997-07-22

    An apparatus and method for determining acid concentrations in solutions having acid concentrations of from about 0.1 Molar to about 16 Molar is disclosed. The apparatus includes a chamber for interrogation of the sample solution, a fiber optic light source for passing light transversely through the chamber, a fiber optic collector for receiving the collimated light after transmission through the chamber, a coating of an acid resistant polymeric composition upon at least one fiber end or lens, the polymeric composition in contact with the sample solution within the chamber and having a detectable response to acid concentrations within the range of from about 0.1 Molar to about 16 Molar, a measurer for the response of the polymeric composition in contact with the sample solution, and a comparer of the measured response to predetermined standards whereby the acid molarity of the sample solution within the chamber can be determined. Preferably, a first lens is attached to the end of the fiber optic light source, the first lens adapted to collimate light from the fiber optic light source, and a second lens is attached to the end of the fiber optic collector for focusing the collimated light after transmission through the chamber. 10 figs.

  8. Optical high acidity sensor

    DOE Patents [OSTI]

    Jorgensen, Betty S.; Nekimken, Howard L.; Carey, W. Patrick; O'Rourke, Patrick E.

    1997-01-01

    An apparatus and method for determining acid concentrations in solutions having acid concentrations of from about 0.1 Molar to about 16 Molar is disclosed. The apparatus includes a chamber for interrogation of the sample solution, a fiber optic light source for passing light transversely through the chamber, a fiber optic collector for receiving the collimated light after transmission through the chamber, a coating of an acid resistant polymeric composition upon at least one fiber end or lens, the polymeric composition in contact with the sample solution within the chamber and having a detectable response to acid concentrations within the range of from about 0.1 Molar to about 16 Molar, a measurer for the response of the polymeric composition in contact with the sample solution, and, a comparer of the measured response to predetermined standards whereby the acid molarity of the sample solution within the chamber can be determined. Preferably, a first lens is attached to the end of the fiber optic light source, the first lens adapted to collimate light from the fiber optic light source, and a second lens is attached to the end of the fiber optic collector for focusing the collimated light after transmission through the chamber.

  9. METALLICITIES, DUST, AND MOLECULAR CONTENT OF A QSO-DAMPED Ly{alpha} SYSTEM REACHING log N(H I) = 22: AN ANALOG TO GRB-DLAs

    SciTech Connect (OSTI)

    Guimaraes, R.; Noterdaeme, P.; Petitjean, P.; Ledoux, C.; Srianand, R.; Rahmani, H.; Lopez, S.

    2012-06-15

    We present the elemental abundance and H{sub 2} content measurements of a damped Ly{alpha} (DLA) system with an extremely large H I column density, log N(H I) (cm{sup -2}) = 22.0 {+-} 0.10, at z{sub abs} = 3.287 toward the QSO SDSS J081634+144612. We measure column densities of H{sub 2}, C I, C I*, Zn II, Fe II, Cr II, Ni II, and Si II from a high signal-to-noise and high spectral resolution VLT-UVES spectrum. The overall metallicity of the system is [Zn/H] = -1.10 {+-} 0.10 relative to solar. Two molecular hydrogen absorption components are seen at z = 3.28667 and 3.28742 (a velocity separation of Almost-Equal-To 52 km s{sup -1}) in rotational levels up to J = 3. We derive a total H{sub 2} column density of log N(H{sub 2}) (cm{sup -2}) = 18.66 and a mean molecular fraction of f = 2N(H{sub 2})/[2N(H{sub 2}) + N(H I)] = 10{sup -3.04{+-}0.37}, typical of known H{sub 2}-bearing DLA systems. From the observed abundance ratios we conclude that dust is present in the interstellar medium of this galaxy, with an enhanced abundance in the H{sub 2}-bearing clouds. However, the total amount of dust along the line of sight is not large and does not produce any significant reddening of the background QSO. The physical conditions in the H{sub 2}-bearing clouds are constrained directly from the column densities of H{sub 2} in different rotational levels, C I and C I*. The kinetic temperature is found to be T Almost-Equal-To 75 K and the particle density lies in the range n{sub H} = 50-80 cm{sup -3}. The neutral hydrogen column density of this DLA is similar to the mean H I column density of DLAs observed at the redshift of {gamma}-ray bursts (GRBs). We explore the relationship between GRB-DLAs and the high column density end of QSO-DLAs finding that the properties (metallicity and depletion) of DLAs with log N(H I) > 21.5 in the two populations do not appear to be significantly different.

  10. Simplification of femtosecond transient absorption microscopy data from CH3NH3PbI3 perovskite thin films into decay associated amplitude maps

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

    Doughty, Benjamin; Simpson, Mary Jane; Yang, Bin; Xiao, Kai; Ma, Ying -Zhong

    2016-02-16

    This work aims to simplify multi-dimensional femtosecond transient absorption microscopy (TAM) data into decay associated amplitude maps that describe the spatial distributions of dynamical processes occurring on various characteristic timescales. Application of this method to TAM data obtained from a model methyl-ammonium lead iodide (CH3NH3PbI3) perovskite thin film allows us to simplify the dataset consisting of a 68 time-resolved images into 4 decay associated amplitude maps. These maps provide a simple means to visualize the complex electronic excited-state dynamics in this system by separating distinct dynamical processes evolving on characteristic timescales into individual spatial images. This approach provides new insightmore » into subtle aspects of ultrafast relaxation dynamics associated with excitons and charge carriers in the perovskite thin film, which have recently been found to coexist at spatially distinct locations.« less

  11. Low Surface Recombination Velocity in Solution-Grown CH3NH3PbBr3 Perovskite Single Crystal

    SciTech Connect (OSTI)

    Yang, Ye; Yan, Yong; Yang, Mengjin; Choi, Sukgeun; Zhu, Kai; Luter, Joseph M.; Beard, Matthew C.

    2015-08-06

    Organic-inorganic hybrid perovskites are attracting intense research effort due to their impressive performance in solar cells. While the carrier transport parameters such as mobility and bulk carrier lifetime shows sufficient characteristics, the surface recombination, which can have major impact on the solar cell performance, has not been studied. Here we measure surface recombination dynamics in CH3NH3PbBr3 perovskite single crystals using broadband transient reflectance spectroscopy. The surface recombination velocity is found to be 3.4±0.1 103 cm s-1, B2–3 orders of magnitude lower than that in many important unpassivated semiconductors employed in solar cells. Our result suggests that the planar grain size for the perovskite thin films should be larger thanB30 mm to avoid the influence of surface recombination on the effective carrier lifetime.

  12. Qualifying composition dependent p and n self-doping in CH{sub 3}NH{sub 3}PbI{sub 3}

    SciTech Connect (OSTI)

    Wang, Qi; Shao, Yuchuan; Huang, Jinsong; Xie, Haipeng; Lyu, Lu; Liu, Xiaoliang; Gao, Yongli

    2014-10-20

    We report the observation of self-doping in perovskite. CH{sub 3}NH{sub 3}PbI{sub 3} was found to be either n- or p-doped by changing the ratio of methylammonium halide (MAI) and lead iodine (PbI{sub 2}) which are the two precursors for perovskite formation. MAI-rich and PbI{sub 2}-rich perovskite films are p and n self-doped, respectively. Thermal annealing can convert the p-type perovskite to n-type by removing MAI. The carrier concentration varied as much as six orders of magnitude. A clear correlation between doping level and device performance was also observed.

  13. Origin and elimination of photocurrent hysteresis by fullerene passivation in CH3NH3PbI3 planar heterojunction solar cells

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

    Shao, Yuchuan; Xiao, Zhengguo; Bi, Cheng; Yuan, Yongbo; Huang, Jinsong

    2014-12-15

    The large photocurrent hysteresis observed in many organometal trihalide perovskite solar cells has become a major hindrance impairing the ultimate performance and stability of these devices, while its origin was unknown. Here we demonstrate the trap states on the surface and grain boundaries of the perovskite materials to be the origin of photocurrent hysteresis and that the fullerene layers deposited on perovskites can effectively passivate these charge trap states and eliminate the notorious photocurrent hysteresis. Fullerenes deposited on the top of the perovskites reduce the trap density by two orders of magnitude and double the power conversion efficiency of CH3NH3PbI3more » solar cells. As a result, the elucidation of the origin of photocurrent hysteresis and its elimination by trap passivation in perovskite solar cells provides important directions for future enhancements to device efficiency.« less

  14. Interaction of vacuum ultraviolet light with a low-k organosilicate glass film in the presence of NH{sub 3}

    SciTech Connect (OSTI)

    Behera, Swayambhu; Lee, Joe; Graves, David; Gaddam, Sneha; Pokharel, Sundari; Wilks, Justin; Pasquale, Frank; Kelber, Jeffry A.

    2010-07-19

    In situ x-ray photoemission spectroscopy (XPS) and ex situ Fourier transform infrared spectroscopy (FTIR) were used to characterize effects on organosilicate films of 147 nm irradiation in the presence of 10{sup -4} Torr NH{sub 3}. XPS and FTIR data indicate Si-O and Si-C bond scission, with nitridation only at Si sites. Photoirradiation causes the surface layer to become enriched in sp{sup 2} carbon. FTIR spectra of silanol formation upon exposure to ambient indicate reactive sites in the bulk have lifetimes of up to six days. XPS data indicate lifetimes of approxminutes for surface states. Nitrogen uptake passivates with longer exposure times, indicating surface densification.

  15. Plant fatty acid hydroxylase

    DOE Patents [OSTI]

    Somerville, Chris; van de Loo, Frank

    2000-01-01

    The present invention relates to the identification of nucleic acid sequences and constructs, and methods related thereto, and the use of these sequences and constructs to produce genetically modified plants for the purpose of altering the composition of plant oils, waxes and related compounds.

  16. New operation strategy for driving the selectivity of NOx reduction to N2, NH3 or N2O during lean/rich cycling of a lean NOx trap catalyst

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

    Mráček, David; Koci, Petr; Choi, Jae -Soon; Partridge, Jr., William P.

    2015-09-08

    Periodical regeneration of NOx storage catalyst (also known as lean NOx trap) by short rich pulses of CO, H2 and hydrocarbons is necessary for the reduction of nitrogen oxides adsorbed on the catalyst surface. Ideally, the stored NOx is converted into N2, but N2O and NH3 by-products can be formed as well, particularly at low-intermediate temperatures. The N2 and N2O products are formed concurrently in two peaks. The primary peaks appear immediately after the rich-phase inception, and tail off with the breakthrough of the reductant front accompanied by NH3 product. In addition, the secondary N2 and N2O peaks then appearmore » at the rich-to-lean transition as a result of reactions between surface-deposited reductants/intermediates (CO, HC, NH3, — NCO) and residual stored NOx under increasingly lean conditions.« less

  17. Synthesis of acid addition salt of delta-aminolevulinic acid from 5-bromo levulinic acid esters

    DOE Patents [OSTI]

    Moens, Luc

    2003-06-24

    A process of preparing an acid addition salt of delta-aminolevulinc acid comprising: a) dissolving a lower alkyl 5-bromolevulinate and hexamethylenetetramine in a solvent selected from the group consisting of water, ethyl acetate, chloroform, acetone, ethanol, tetrahydrofuran and acetonitrile, to form a quaternary ammonium salt of the lower alkyl 5-bromolevulinate; and b) hydrolyzing the quaternary ammonium salt with an inorganic acid to form an acid addition salt of delta-aminolevulinic acid.

  18. Fatty acid-producing hosts

    DOE Patents [OSTI]

    Pfleger, Brian F; Lennen, Rebecca M

    2013-12-31

    Described are hosts for overproducing a fatty acid product such as a fatty acid. The hosts include an exogenous nucleic acid encoding a thioesterase and, optionally, an exogenous nucleic acid encoding an acetyl-CoA carboxylase, wherein an acyl-CoA synthetase in the hosts are functionally delected. The hosts prefereably include the nucleic acid encoding the thioesterase at an intermediate copy number. The hosts are preferably recominantly stable and growth-competent at 37.degree. C. Methods of producing a fatty acid product comprising culturing such hosts at 37.degree. C. are also described.

  19. Acid diffusion through polyaniline membranes

    SciTech Connect (OSTI)

    Su, T.M.; Huang, S.C.; Conklin, J.A.

    1995-12-01

    Polyaniline membranes in the undoped (base) and doped (acid) forms are studied for their utility as pervaporation membranes. The separation of water from mixtures of propionic acid, acetic acid and formic acid have been demonstrated from various feed compositions. Doped polyaniline displays an enhanced selectivity of water over these organic acids as compared with undoped polyaniline. For as-cast polyaniline membranes a diffusion coefficient (D) on the order of 10{sup -9} cm{sup 2}/sec has been determined for the flux of protons through the membranes using hydrochloric acid.

  20. Understanding NOx SCR Mechanism and Activity on Cu/Chabazite Structures throughout the Catalyst Life Cycle

    SciTech Connect (OSTI)

    Ribeiro, Fabio; Delgass, Nick; Gounder, Rajmani; Schneider, William F.; Miller, Jeff; Yezerets, Aleksey; McEwen, Jean-Sabin; Peden, Charles HF; Howden, Ken

    2014-12-09

    Oxides of nitrogen (NOx) compounds contribute to acid rain and photochemical smog and have been linked to respiratory ailments. NOx emissions regulations continue to tighten, driving the need for high performance, robust control strategies. The goal of this project is to develop a deep, molecular level understanding of the function of Cu-SSZ-13 and Cu-SAPO-34 materials that catalyze the SCR of NOx with NH3.

  1. Lubrication with boric acid additives

    DOE Patents [OSTI]

    Erdemir, Ali

    2000-01-01

    Self-lubricating resin compositions including a boric acid additive and a synthetic polymer including those thermoset materials.

  2. Extraction of uranium: comparison of stripping with ammonia vs. strong acid

    SciTech Connect (OSTI)

    Moldovan, B.; Grinbaum, B.; Efraim, A.

    2008-07-01

    Following extraction of uranium in the first stage of solvent extraction using a tertiary amine, typically Alamine 336, the stripping of the extracted uranium is accomplished either by use of an aqueous solution of (NH{sub 4}){sub 2}SO{sub 4} /NH{sub 4}OH or by strong-acid stripping using 400-500 g/L H{sub 2}SO{sub 4}. Both processes have their merits and determine the downstream processing. The classical stripping with ammonia is followed by addition of strong base, to precipitate ammonium uranyl sulfate (NH{sub 4}){sub 2}UO{sub 2}(SO{sub 4}){sub 2}, which yields finally the yellow cake. Conversely, stripping with H{sub 2}SO{sub 4}, followed by oxidation with hydrogen peroxide yields uranyl oxide as product. At the Cameco Key Lake operation, both processes were tested on a pilot scale, using a Bateman Pulsed Column (BPC). The BPC proved to be applicable to both processes. It met the process criteria both for extraction and stripping, leaving less than 1 mg/L of U{sub 3}O{sub 8} in the raffinate, and product solution had the required concentration of U{sub 3}O{sub 8} at high flux and reasonable height of transfer unit. In the Key Lake mill, each operation can be carried out in a single column. The main advantages of the strong-acid stripping over ammonia stripping are: (1) 60% higher flux in the extraction, (2) tenfold higher concentration of the uranium in the product solution, and (3) far more robust process, with no need of pH control in the stripping and no need to add acid to the extraction in order to keep the pH above the point of precipitation of iron compounds. The advantages of the ammoniacal process are easier stripping, that is, less stages needed to reach equilibrium and lower concentration of modifier needed to prevent the creation of a third phase. (authors)

  3. Carboxylic acid sorption regeneration process

    DOE Patents [OSTI]

    King, C.J.; Poole, L.J.

    1995-05-02

    Carboxylic acids are sorbed from aqueous feedstocks into an organic liquid phase or onto a solid adsorbent. The acids are freed from the sorbent phase by treating it with aqueous alkylamine thus forming an alkylammonium carboxylate which is dewatered and decomposed to the desired carboxylic acid and the alkylamine. 10 figs.

  4. Carboxylic acid sorption regeneration process

    DOE Patents [OSTI]

    King, C. Judson; Poole, Loree J.

    1995-01-01

    Carboxylic acids are sorbed from aqueous feedstocks into an organic liquid phase or onto a solid adsorbent. The acids are freed from the sorbent phase by treating it with aqueous alkylamine thus forming an alkylammonium carboxylate which is dewatered and decomposed to the desired carboxylic acid and the alkylamine.

  5. Pantothenic acid biosynthesis in zymomonas

    DOE Patents [OSTI]

    Tao, Luan; Tomb, Jean-Francois; Viitanen, Paul V.

    2014-07-01

    Zymomonas is unable to synthesize pantothenic acid and requires this essential vitamin in growth medium. Zymomonas strains transformed with an operon for expression of 2-dehydropantoate reductase and aspartate 1-decarboxylase were able to grow in medium lacking pantothenic acid. These strains may be used for ethanol production without pantothenic acid supplementation in seed culture and fermentation media.

  6. Transition metal ion-assisted photochemical generation of alkyl halides and hydrocarbons from carboxylic acids

    SciTech Connect (OSTI)

    Carraher, Jack; Pestovsky, Oleg; Bakac, Andreja

    2012-03-14

    Near-UV photolysis of aqueous solutions of propionic acid and aqueous Fe3+ in the absence of oxygen generates a mixture of hydrocarbons (ethane, ethylene and butane), carbon dioxide, and Fe2+. The reaction becomes mildly catalytic (about five turnovers) in the presence of oxygen which converts a portion of alkyl radicals to oxidizing intermediates that reoxidize Fe2+. The photochemistry in the presence of halide ions (X− = Cl−, Br−) generates ethyl halides via halogen atom abstraction from FeXn3−n by ethyl radicals. Near-quantitative yields of C2H5X are obtained at ≥0.05 M X−. Competition experiments with Co(NH3)5Br2+ provided kinetic data for the reaction of ethyl radicals with FeCl2+ (k = (4.0 ± 0.5) × 106 M−1 s−1) and with FeBr2+ (k = (3.0 ± 0.5) × 107 M−1 s−1). Photochemical decarboxylation of propionic acid in the presence of Cu2+ generates ethylene and Cu+. Longer-chain acids also yield alpha olefins as exclusive products. These reactions become catalytic under constant purge with oxygen which plays a dual role. It reoxidizes Cu+ to Cu2+, and removes gaseous olefins to prevent accumulation of Cu+(olefin) complexes and depletion of Cu2+. The results underscore the profound effect that the choice of metal ions, the medium, and reaction conditions exert on the photochemistry of carboxylic acids.

  7. Composition for nucleic acid sequencing

    DOE Patents [OSTI]

    Korlach, Jonas; Webb, Watt W.; Levene, Michael; Turner, Stephen; Craighead, Harold G.; Foquet, Mathieu

    2008-08-26

    The present invention is directed to a method of sequencing a target nucleic acid molecule having a plurality of bases. In its principle, the temporal order of base additions during the polymerization reaction is measured on a molecule of nucleic acid, i.e. the activity of a nucleic acid polymerizing enzyme on the template nucleic acid molecule to be sequenced is followed in real time. The sequence is deduced by identifying which base is being incorporated into the growing complementary strand of the target nucleic acid by the catalytic activity of the nucleic acid polymerizing enzyme at each step in the sequence of base additions. A polymerase on the target nucleic acid molecule complex is provided in a position suitable to move along the target nucleic acid molecule and extend the oligonucleotide primer at an active site. A plurality of labelled types of nucleotide analogs are provided proximate to the active site, with each distinguishable type of nucleotide analog being complementary to a different nucleotide in the target nucleic acid sequence. The growing nucleic acid strand is extended by using the polymerase to add a nucleotide analog to the nucleic acid strand at the active site, where the nucleotide analog being added is complementary to the nucleotide of the target nucleic acid at the active site. The nucleotide analog added to the oligonucleotide primer as a result of the polymerizing step is identified. The steps of providing labelled nucleotide analogs, polymerizing the growing nucleic acid strand, and identifying the added nucleotide analog are repeated so that the nucleic acid strand is further extended and the sequence of the target nucleic acid is determined.

  8. Invasive cleavage of nucleic acids

    DOE Patents [OSTI]

    Prudent, James R.; Hall, Jeff G.; Lyamichev, Victor I.; Brow, Mary Ann D.; Dahlberg, James E.

    2002-01-01

    The present invention relates to means for the detection and characterization of nucleic acid sequences, as well as variations in nucleic acid sequences. The present invention also relates to methods for forming a nucleic acid cleavage structure on a target sequence and cleaving the nucleic acid cleavage structure in a site-specific manner. The structure-specific nuclease activity of a variety of enzymes is used to cleave the target-dependent cleavage structure, thereby indicating the presence of specific nucleic acid sequences or specific variations thereof.

  9. Invasive cleavage of nucleic acids

    DOE Patents [OSTI]

    Prudent, James R.; Hall, Jeff G.; Lyamichev, Victor I.; Brow, Mary Ann D.; Dahlberg, James E.

    1999-01-01

    The present invention relates to means for the detection and characterization of nucleic acid sequences, as well as variations in nucleic acid sequences. The present invention also relates to methods for forming a nucleic acid cleavage structure on a target sequence and cleaving the nucleic acid cleavage structure in a site-specific manner. The structure-specific nuclease activity of a variety of enzymes is used to cleave the target-dependent cleavage structure, thereby indicating the presence of specific nucleic acid sequences or specific variations thereof.

  10. Infrared laser induced population transfer and parity selection in {sup 14}NH{sub 3}: A proof of principle experiment towards detecting parity violation in chiral molecules

    SciTech Connect (OSTI)

    Dietiker, P.; Miloglyadov, E.; Quack, M. Schneider, A.; Seyfang, G.

    2015-12-28

    We have set up an experiment for the efficient population transfer by a sequential two photon—absorption and stimulated emission—process in a molecular beam to prepare quantum states of well defined parity and their subsequent sensitive detection. This provides a proof of principle for an experiment which would allow for parity selection and measurement of the time evolution of parity in chiral molecules, resulting in a measurement of the parity violating energy difference Δ{sub pv}E between enantiomers of chiral molecules. Here, we present first results on a simple achiral molecule demonstrating efficient population transfer (about 80% on the average for each step) and unperturbed persistence of a selected excited parity level over flight times of about 1.3 ms in the beam. In agreement with model calculations with and without including nuclear hyperfine structure, efficient population transfer can be achieved by a rather simple implementation of the rapid adiabatic passage method of Reuss and coworkers and considering also the stimulated Raman adiabatic passage technique of Bergmann and coworkers as an alternative. The preparation step uses two powerful single mode continuous wave optical parametric oscillators of high frequency stability and accuracy. The detection uses a sensitive resonantly enhanced multiphoton ionization method after free flight lengths of up to 0.8 m in the molecular beam. Using this technique, we were able to also resolve the nuclear hyperfine structure in the rovibrational levels of the ν{sub 1} and ν{sub 3} fundamentals as well as the 2ν{sub 4} overtone of {sup 14}NH{sub 3}, for which no previous data with hyperfine resolution were available. We present our new results on the quadrupole coupling constants for the ν{sub 1}, ν{sub 3}, and 2ν{sub 4} levels in the context of previously known data for ν{sub 2} and its overtone, as well as ν{sub 4}, and the ground state. Thus, now, {sup 14}N quadrupole coupling constants for all

  11. Synthesis of amino acids

    DOE Patents [OSTI]

    Davis, J.W. Jr.

    1979-09-21

    A method is described for synthesizing amino acids preceding through novel intermediates of the formulas: R/sub 1/R/sub 2/C(OSOC1)CN, R/sub 1/R/sub 2/C(C1)CN and (R/sub 1/R/sub 2/C(CN)O)/sub 2/SO wherein R/sub 1/ and R/sub 2/ are each selected from hydrogen and monovalent hydrocarbon radicals of 1 to 10 carbon atoms. The use of these intermediates allows the synthesis steps to be exothermic and results in an overall synthesis method which is faster than the synthesis methods of the prior art.

  12. Nucleic Acid Detection Methods

    DOE Patents [OSTI]

    Smith, Cassandra L.; Yaar, Ron; Szafranski, Przemyslaw; Cantor, Charles R.

    1998-05-19

    The invention relates to methods for rapidly determining the sequence and/or length a target sequence. The target sequence may be a series of known or unknown repeat sequences which are hybridized to an array of probes. The hybridized array is digested with a single-strand nuclease and free 3'-hydroxyl groups extended with a nucleic acid polymerase. Nuclease cleaved heteroduplexes can be easily distinguish from nuclease uncleaved heteroduplexes by differential labeling. Probes and target can be differentially labeled with detectable labels. Matched target can be detected by cleaving resulting loops from the hybridized target and creating free 3-hydroxyl groups. These groups are recognized and extended by polymerases added into the reaction system which also adds or releases one label into solution. Analysis of the resulting products using either solid phase or solution. These methods can be used to detect characteristic nucleic acid sequences, to determine target sequence and to screen for genetic defects and disorders. Assays can be conducted on solid surfaces allowing for multiple reactions to be conducted in parallel and, if desired, automated.

  13. Nucleic acid detection methods

    DOE Patents [OSTI]

    Smith, C.L.; Yaar, R.; Szafranski, P.; Cantor, C.R.

    1998-05-19

    The invention relates to methods for rapidly determining the sequence and/or length a target sequence. The target sequence may be a series of known or unknown repeat sequences which are hybridized to an array of probes. The hybridized array is digested with a single-strand nuclease and free 3{prime}-hydroxyl groups extended with a nucleic acid polymerase. Nuclease cleaved heteroduplexes can be easily distinguish from nuclease uncleaved heteroduplexes by differential labeling. Probes and target can be differentially labeled with detectable labels. Matched target can be detected by cleaving resulting loops from the hybridized target and creating free 3-hydroxyl groups. These groups are recognized and extended by polymerases added into the reaction system which also adds or releases one label into solution. Analysis of the resulting products using either solid phase or solution. These methods can be used to detect characteristic nucleic acid sequences, to determine target sequence and to screen for genetic defects and disorders. Assays can be conducted on solid surfaces allowing for multiple reactions to be conducted in parallel and, if desired, automated. 18 figs.

  14. Partially disordered antiferromagnetism and multiferroic behavior in a frustrated Ising system CoCl2–2SC(NH2)2

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

    Mun, Eundeok; Weickert, Dagmar Franziska; Kim, Jaewook; Scott, Brian L.; Miclea, Corneliu Florin; Movshovich, Roman; Wilcox, Jason; Manson, Jamie; Zapf, Vivien S.

    2016-03-07

    We investigate partially disordered antiferromagnetism in CoCl2-2SC(NH2)2, in which ab-plane hexagonal layers are staggered along the c axis rather than stacked. A robust 1/3 state forms in applied magnetic fields in which the spins are locked, varying as a function of neither temperature nor field. By contrast, in zero field and applied fields at higher temperatures, partial antiferromagnetic order occurs, in which free spins are available to create a Curie-like magnetic susceptibility. We report measurements of the crystallographic structure and the specific heat, magnetization, and electric polarization down to T = 50mK and up to μ0H = 60T. The Co2+more » S = 3/2 spins are Ising-like and form distorted hexagonal layers. The Ising energy scale is well separated from the magnetic exchange, and both energy scales are accessible to the measurements, allowing us to cleanly parametrize them. In transverse fields, a quantum Ising phase transition can be observed at 2 T. Lastly, we find that magnetic exchange striction induces changes in the electric polarization up to 3μC/m2, and single-ion magnetic anisotropy effects induce a much larger electric polarization change of 300μC/m2.« less

  15. Application of x-ray tomography to optimization of new NOx/NH3 mixed potential sensors for vehicle on-board emissions control

    SciTech Connect (OSTI)

    Nelson, Mark A; Brosha, Eric L; Mukundan, Rangachary; Garzon, Fernando H

    2009-01-01

    Mixed potential sensors for the detection of hydrocarbons, NO{sub x}, and NH{sub 3} have been previously developed at Los Alamos National Laboratory (LANL). The LANL sensors have a unique design incorporating dense ceramic-pelletlmetal-wire electrodes and porous electrolytes. The performance of current-biased sensors using an yttria-stabilized zirconia (YSZ) electrolyte and platinum and La{sub 0.8}Sr{sub 0.2}CrO{sub 3} electrodes is reported. X-ray tomography has been applied to non-destructively examine internal structures of these sensors. NO{sub x} and hydrocarbon response of the sensors under various bias conditions is reported, and very little NO{sub x} response hysteresis was observed. The application of a 0.6 {mu}A bias to these sensors shifts the response from a hydrocarbon response to a NO{sub x} response equal for both NO and NO{sub 2} species at approximately 500 {sup o}C in air.

  16. LOW-TEMPERATURE ION TRAP STUDIES OF N{sup +}({sup 3} P{sub ja} ) + H{sub 2}(j) {yields} NH{sup +} + H

    SciTech Connect (OSTI)

    Zymak, I.; Hejduk, M.; Mulin, D.; Plasil, R.; Glosik, J.; Gerlich, D.

    2013-05-01

    Using a low-temperature 22-pole ion trap apparatus, detailed measurements for the title reaction have been performed between 10 K and 100 K in order to get some state specific information about this fundamental hydrogen abstraction process. The relative population of the two lowest H{sub 2} rotational states, j = 0 and 1, has been varied systematically. NH{sup +} formation is nearly thermo-neutral; however, to date, the energetics are not known with the accuracy required for low-temperature astrochemistry. Additional complications arise from the fact that, so far, there is no reliable theoretical or experimental information on how the reactivity of the N{sup +} ion depends on its fine-structure (FS) state {sup 3} P{sub ja} . Since in the present trapping experiment, thermalization of the initially hot FS population competes with hydrogen abstraction, the evaluation of the decay of N{sup +} ions over long storage times and at various He and H{sub 2} gas densities provides information on these processes. First assuming strict adiabatic behavior, a set of state specific rate coefficients is derived from the measured thermal rate coefficients. In addition, by recording the disappearance of the N{sup +} ions over several orders of magnitude, information on nonadiabatic transitions is extracted including FS-changing collisions.

  17. Enhanced optoelectronic quality of perovskite thin films with hypophosphorous acid for planar heterojunction solar cells

    SciTech Connect (OSTI)

    Zhang, Wei; Pathak, Sandeep; Sakai, Nobuya; Stergiopoulos, Thomas; Nayak, Pabitra K.; Noel, Nakita K.; Haghighirad, Amir A.; Burlakov, Victor M.; deQuilettes, Dane W.; Sadhanala, Aditya; Li, Wenzhe; Wang, Liduo; Ginger, David S.; Friend, Richard H.; Snaith, Henry J.

    2015-11-30

    Solution-processed metal halide perovskite semiconductors, such as CH3NH3PbI3, have exhibited remarkable performance in solar cells, despite having non-negligible density of defect states. A likely candidate is halide vacancies within the perovskite crystals, or the presence of metallic lead, both generated due to the imbalanced I/Pb stoichiometry which could evolve during crystallization. Herein, we show that the addition of hypophosphorous acid (HPA) in the precursor solution can significantly improve the film quality, both electronically and topologically, and enhance the photoluminescence intensity, which leads to more efficient and reproducible photovoltaic devices. We demonstrate that the HPA can reduce the oxidized I2 back into I-, and our results indicate that this facilitates an improved stoichiometry in the perovskite crystal and a reduced density of metallic lead.

  18. Enhanced optoelectronic quality of perovskite thin films with hypophosphorous acid for planar heterojunction solar cells

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

    Zhang, Wei; Pathak, Sandeep; Sakai, Nobuya; Stergiopoulos, Thomas; Nayak, Pabitra K.; Noel, Nakita K.; Haghighirad, Amir A.; Burlakov, Victor M.; deQuilettes, Dane W.; Sadhanala, Aditya; et al

    2015-11-30

    Solution-processed metal halide perovskite semiconductors, such as CH3NH3PbI3, have exhibited remarkable performance in solar cells, despite having non-negligible density of defect states. A likely candidate is halide vacancies within the perovskite crystals, or the presence of metallic lead, both generated due to the imbalanced I/Pb stoichiometry which could evolve during crystallization. Herein, we show that the addition of hypophosphorous acid (HPA) in the precursor solution can significantly improve the film quality, both electronically and topologically, and enhance the photoluminescence intensity, which leads to more efficient and reproducible photovoltaic devices. We demonstrate that the HPA can reduce the oxidized I2 backmore » into I-, and our results indicate that this facilitates an improved stoichiometry in the perovskite crystal and a reduced density of metallic lead.« less

  19. Analysis of Precipitation (Rain and Snow) Levels and Straight-line Wind Speeds in Support of the 10-year Natural Phenomena Hazards Review for Los Alamos National Laboratory

    SciTech Connect (OSTI)

    Kelly, Elizabeth J.; Dewart, Jean Marie; Deola, Regina

    2015-12-10

    This report provides site-specific return level analyses for rain, snow, and straight-line wind extreme events. These analyses are in support of the 10-year review plan for the assessment of meteorological natural phenomena hazards at Los Alamos National Laboratory (LANL). These analyses follow guidance from Department of Energy, DOE Standard, Natural Phenomena Hazards Analysis and Design Criteria for DOE Facilities (DOE-STD-1020-2012), Nuclear Regulatory Commission Standard Review Plan (NUREG-0800, 2007) and ANSI/ ANS-2.3-2011, Estimating Tornado, Hurricane, and Extreme Straight-Line Wind Characteristics at Nuclear Facility Sites. LANL precipitation and snow level data have been collected since 1910, although not all years are complete. In this report the results from the more recent data (1990–2014) are compared to those of past analyses and a 2004 National Oceanographic and Atmospheric Administration report. Given the many differences in the data sets used in these different analyses, the lack of statistically significant differences in return level estimates increases confidence in the data and in the modeling and analysis approach.

  20. Electrochemical destruction of organic acids

    SciTech Connect (OSTI)

    Gendes, J.D.; Hartsough, D.; Super, J.D.

    1994-12-31

    An electrochemical process for removing organic acids from an aqueous waste stream has been characterized. Biological treatment of aqueous organic acid waste streams has been the typical means of degrading organic acids, and the resultant biosludge is landfilled. In the electrochemical approach, aqueous organic acids may be efficiently converted to useful fuel in a one or two electron process. The possible reactions occurring are outlined here. The electrolysis of the sodium salts of acetic, propionic, and butyric acids has been studied both as single component solutions and mixtures. The reaction products as well as relative rates of destruction of the acid salts were measured. The effect of experimental variables such as current density, temperature, and anode material on the current efficiency and product distribution was investigated. Electrode stability due to platinum corrosion was identified as the major limitation to the process.

  1. Acidic gas capture by diamines

    DOE Patents [OSTI]

    Rochelle, Gary; Hilliard, Marcus

    2011-05-10

    Compositions and methods related to the removal of acidic gas. In particular, the present disclosure relates to a composition and method for the removal of acidic gas from a gas mixture using a solvent comprising a diamine (e.g., piperazine) and carbon dioxide. One example of a method may involve a method for removing acidic gas comprising contacting a gas mixture having an acidic gas with a solvent, wherein the solvent comprises piperazine in an amount of from about 4 to about 20 moles/kg of water, and carbon dioxide in an amount of from about 0.3 to about 0.9 moles per mole of piperazine.

  2. Conversion efficiency improvement of inverted CH{sub 3}NH{sub 3}PbI{sub 3} perovskite solar cells with room temperature sputtered ZnO by adding the C{sub 60} interlayer

    SciTech Connect (OSTI)

    Lai, Wei-Chih Chen, Peter; Lin, Kun-Wei; Wang, Yuan-Ting; Guo, Tzung-Fang

    2015-12-21

    We have demonstrated the performance of inverted CH{sub 3}NH{sub 3}PbI{sub 3} perovskite-based solar cells (SCs) with a room temperature (RT) sputtered ZnO electron transport layer by adding fullerene (C{sub 60}) interlayer. ZnO exhibits a better matched conduction band level with perovskite and Al work function and around energy offset of 2.2 eV between highest occupied molecular orbital level of CH{sub 3}NH{sub 3}PbI{sub 3} perovskite and valance band level of ZnO. However, the CH{sub 3}NH{sub 3}PbI{sub 3} perovskite layer will be damaged during direct RT sputtering deposition of ZnO. Therefore, the C{sub 60} interlayer having matched conduction band level with ZnO and CH{sub 3}NH{sub 3}PbI{sub 3} perovskite added between the CH{sub 3}NH{sub 3}PbI{sub 3} perovskite and RT sputtered ZnO layers for protection prevents sputtering damages on the CH{sub 3}NH{sub 3}PbI{sub 3} perovskite layer. The short-circuit current density (J{sub SC}, 19.41 mA/cm{sup 2}) and open circuit voltage (V{sub OC}, 0.91 V) of the SCs with glass/ITO/poly(3,4-ethylenedioxythiophene):poly(styrene-sulfonate) (PEDOT:PSS)/perovskite/C{sub 60}/RT sputtered ZnO/Al structure is higher than the J{sub SC} (16.23 mA/cm{sup 2}) and V{sub OC} (0.90 V) of the reference SC with glass/ITO/PEDOT:PSS/perovskite/C{sub 60}/bathocuproine (BCP)/Al structure. Although the SCs with the former structure has a lower fill factor (FF%) than the SCs with the latter structure, its conversion efficiency η% (10.93%) is higher than that (10.6%) of the latter.

  3. Determination of structure and phase transition of light element nanocomposites in mesoporous silica: case study of NH3BH3 in MCM-41

    SciTech Connect (OSTI)

    Kim, Hyun Jeong; Karkamkar, Abhijeet J.; Autrey, Thomas; Chupas, Peter; Proffen, Thomas E.

    2009-09-30

    The structure of ammonia borane (AB), NH3BH3, infused in mesoporous silica MCM-41 and its evolution over the temperature range of 80 to 300 K was investigated using the atomic pair distribution function (PDF) analysis of synchrotron X-ray powder diffraction data in order to understand the origin of improved dehydrogenation properties of the system. Our study shows how X-ray PDF analysis can be used to elucidate the structure of light guest species loaded in mesoporous silica materials despite of its low scattering power of composed elements (N, B, and H) compared to its host (SiO2). PDF analyses of two AB-loaded compositions with weight ratio AB:MCM-41=1:1 and 3:1 provide a strong evidence that AB aggregate, previously found in AB:MCM-41?1:1 samples, is same species as neat AB. For both of them an orthorhombic to tetragonal structural phase transition occurs at 225 K on warming. On the other hand, AB residing inside meso-pores, which is found in AB:MCM-41=1:2 sample, does not undergo such phase transition. It rather stays in tetragonal phase over a wide temperature range of 110 to 240 K and starts to lose structural correlation above 240 K. This strongly suggests that nano-confinement of AB inside meso-pores stabilizes high temperature tetragonal phase at much lower temperature. These results provide important clues to two critical questions: why nan-compositions of AB leads dehydrogenation to lower temperature and why the neat AB like propoerties are recovered at high AB loading samples. This work was supported by the US Department of Energy Office of Basic Energy Sciences, Chemical Sciences program. Pacific Northwest National Laboratory is operated by Battelle for the US Department of Energy.

  4. Carbonic Acid Pretreatment of Biomass

    SciTech Connect (OSTI)

    G. Peter van Walsum; Kemantha Jayawardhana; Damon Yourchisin; Robert McWilliams; Vanessa Castleberry

    2003-05-31

    This project sought to address six objectives, outlined below. The objectives were met through the completion of ten tasks. 1) Solidify the theoretical understanding of the binary CO2/H2O system at reaction temperatures and pressures. The thermodynamics of pH prediction have been improved to include a more rigorous treatment of non-ideal gas phases. However it was found that experimental attempts to confirm theoretical pH predictions were still off by a factor of about 1.8 pH units. Arrhenius experiments were carried out and the activation energy for carbonic acid appears to be substantially similar to sulfuric acid. Titration experiments have not yet confirmed or quantified the buffering or acid suppression effects of carbonic acid on biomass. 2) Modify the carbonic acid pretreatment severity function to include the effect of endogenous acid formation and carbonate buffering, if necessary. It was found that the existing severity functions serve adequately to account for endogenous acid production and carbonate effects. 3) Quantify the production of soluble carbohydrates at different reaction conditions and severity. Results show that carbonic acid has little effect on increasing soluble carbohydrate concentrations for pretreated aspen wood, compared to pretreatment with water alone. This appears to be connected to the release of endogenous acids by the substrate. A less acidic substrate such as corn stover would derive benefit from the use of carbonic acid. 4) Quantify the production of microbial inhibitors at selected reaction conditions and severity. It was found that the release of inhibitors was correlated to reaction severity and that carbonic acid did not appear to increase or decrease inhibition compared to pretreatment with water alone. 5) Assess the reactivity to enzymatic hydrolysis of material pretreated at selected reaction conditions and severity. Enzymatic hydrolysis rates increased with severity, but no advantage was detected for the use of carbonic

  5. Carbonic Acid Retreatment of Biomass

    SciTech Connect (OSTI)

    Baylor university

    2003-06-01

    This project sought to address six objectives, outlined below. The objectives were met through the completion of ten tasks. (1) Solidify the theoretical understanding of the binary CO{sub 2}/H{sub 2}O system at reaction temperatures and pressures. The thermodynamics of pH prediction have been improved to include a more rigorous treatment of non-ideal gas phases. However it was found that experimental attempts to confirm theoretical pH predictions were still off by a factor of about 1.8 pH units. Arrhenius experiments were carried out and the activation energy for carbonic acid appears to be substantially similar to sulfuric acid. Titration experiments have not yet confirmed or quantified the buffering or acid suppression effects of carbonic acid on biomass. (2) Modify the carbonic acid pretreatment severity function to include the effect of endogenous acid formation and carbonate buffering, if necessary. It was found that the existing severity functions serve adequately to account for endogenous acid production and carbonate effects. (3) Quantify the production of soluble carbohydrates at different reaction conditions and severity. Results show that carbonic acid has little effect on increasing soluble carbohydrate concentrations for pretreated aspen wood, compared to pretreatment with water alone. This appears to be connected to the release of endogenous acids by the substrate. A less acidic substrate such as corn stover would derive benefit from the use of carbonic acid. (4) Quantify the production of microbial inhibitors at selected reaction conditions and severity. It was found that the release of inhibitors was correlated to reaction severity and that carbonic acid did not appear to increase or decrease inhibition compared to pretreatment with water alone. (5) Assess the reactivity to enzymatic hydrolysis of material pretreated at selected reaction conditions and severity. Enzymatic hydrolysis rates increased with severity, but no advantage was detected for

  6. Formation and consumption of NO in H{sub 2} + O{sub 2} + N{sub 2} flames doped with NO or NH{sub 3} at atmospheric pressure

    SciTech Connect (OSTI)

    Shmakov, A.G.; Chernov, A.A.; Knyazkov, D.A.; Bolshova, T.A.; Korobeinichev, O.P.; Rybitskaya, I.V.; Konnov, A.A.

    2010-03-15

    Flat premixed burner-stabilized H{sub 2} + O{sub 2} + N{sub 2} flames, neat or doped with 300-1000 ppm of NO or NH{sub 3}, were studied experimentally using molecular-beam mass-spectrometry and simulated numerically. Spatial profiles of temperature and concentrations of stable species, H{sub 2}, O{sub 2}, H{sub 2}O, NO, NH{sub 3}, and of H and OH radicals obtained at atmospheric pressure in lean ({phi} = 0.47), near-stoichiometric ({phi} = 1.1) and rich ({phi} = 2.0) flames are reported. Good agreement between measured and calculated structure of lean and near-stoichiometric flames was found. Significant discrepancy between simulated and measured profiles of NO concentration was observed in the rich flames. Sensitivity and reaction path analyses revealed reactions responsible for the discrepancy. Modification to the model was proposed to improve an overall agreement with the experiment. (author)

  7. Electron-hole diffusion lengths >175 μm in solution-grown CH3NH3PbI3 single crystals

    SciTech Connect (OSTI)

    Dong, Qingfeng; Fang, Yanjun; Shao, Yuchuan; Mulligan, Padhraic; Qiu, Jie; Cao, Lei; Huang, Jinsong

    2015-02-27

    Long, balanced electron and hole diffusion lengths greater than 100 nanometers in the polycrystalline organolead trihalide compound CH3NH3PbI3 are critical for highly efficient perovskite solar cells. We found that the diffusion lengths in CH3NH3PbI3 single crystals grown by a solution-growth method can exceed 175 micrometers under 1 sun (100 mW cm–2) illumination and exceed 3 millimeters under weak light for both electrons and holes. The internal quantum efficiencies approach 100% in 3-millimeter-thick single-crystal perovskite solar cells under weak light. These long diffusion lengths result from greater carrier mobility, longer lifetime, and much smaller trap densities in the single crystals than in polycrystalline thin films. As a result, the long carrier diffusion lengths enabled the use of CH3NH3PbI3 in radiation sensing and energy harvesting through the gammavoltaic effect, with an efficiency of 3.9% measured with an intense cesium-137 source.

  8. Electrical and physical characterization of the Al{sub 2}O{sub 3}/p-GaSb interface for 1%, 5%, 10%, and 22% (NH{sub 4}){sub 2}S surface treatments

    SciTech Connect (OSTI)

    Peralagu, Uthayasankaran Thayne, Iain G.; Povey, Ian M.; Carolan, Patrick; Lin, Jun; Hurley, Paul K.; Contreras-Guerrero, Rocio; Droopad, Ravi

    2014-10-20

    In this work, the impact of ammonium sulfide ((NH{sub 4}){sub 2}S) surface treatment on the electrical passivation of the Al{sub 2}O{sub 3}/p-GaSb interface is studied for varying sulfide concentrations. Prior to atomic layer deposition of Al{sub 2}O{sub 3}, GaSb surfaces were treated in 1%, 5%, 10%, and 22% (NH{sub 4}){sub 2}S solutions for 10 min at 295 K. The smallest stretch-out and flatband voltage shifts coupled with the largest capacitance swing, as indicated by capacitance-voltage (CV) measurements, were obtained for the 1% treatment. The resulting interface defect trap density (D{sub it}) distribution showed a minimum value of 4 × 10{sup 12 }cm{sup −2}eV{sup −1} at E{sub v} + 0.27 eV. Transmission electron microscopy and atomic force microscopy examination revealed the formation of interfacial layers and increased roughness at the Al{sub 2}O{sub 3}/p-GaSb interface of samples treated with 10% and 22% (NH{sub 4}){sub 2}S. In combination, these effects degrade the interface quality as reflected in the CV characteristics.

  9. Functional nucleic acid probes and uses thereof

    DOE Patents [OSTI]

    Nilsen-Hamilton, Marit

    2006-10-03

    The present invention provides functional nucleic acid probes, and methods of using functional nucleic acid probes, for binding a target to carry out a desired function. The probes have at least one functional nucleic acid, at least one regulating nucleic acid, and at least one attenuator. The functional nucleic acid is maintained in an inactive state by the attenuator and activated by the regulating nucleic acid only in the presence of a regulating nucleic acid target. In its activated state the functional nucleic acid can bind to its target to carry out a desired function, such as generating a signal, cleaving a nucleic acid, or catalyzing a reaction.

  10. Optical Rain Gauge and Tipping Bucket Rain Gauge Comparisons

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

    1. Introduction Measurement of rainfall and precipitation is a difficult task even in the best of circumstances. Different types of gauges are used depending on the type of...

  11. Comparison of silatrane, phosphonic acid, and carboxylic acid...

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

    cells Authors: Brennan, B.J., Llansola Portoles, M.J., Liddell, P.A., Moore, T.A., Moore, A.L., and Gust, D. Title: Comparison of silatrane, phosphonic acid, and...

  12. PRODUCTION OF TRIFLUOROACETIC ACID COMPOUNDS

    DOE Patents [OSTI]

    Haworth, W.N.; Stacey, M.

    1949-08-30

    A process is described for the preparation of trifluoroacetic acid. Acetone vapor diluted wlth nitrogen and fluorine also diluted with nltrogen are fed separately at a temperature of about 210 deg C into a reaction vessel containing a catalyst mass selected from-the group consisting of silver and gold. The temperature in the reaction vessel is maintained in the range of 200 deg to 250 deg C. The reaction product, trifluoroacetyl fluoride, is absorbed in aqueous alkali solution. Trifluoroacetic acid is recovered from the solution by acidification wlth an acid such as sulfuric followed by steam distillation.

  13. Phosphonic acid based exchange resins

    DOE Patents [OSTI]

    Horwitz, E.P.; Alexandratos, S.D.; Gatrone, R.C.; Chiarizia, R.

    1995-09-12

    An ion exchange resin is described for extracting metal ions from a liquid waste stream. An ion exchange resin is prepared by copolymerizing a vinylidene diphosphonic acid with styrene, acrylonitrile and divinylbenzene. 10 figs.

  14. Phosphonic acid based exchange resins

    DOE Patents [OSTI]

    Horwitz, E. Philip; Alexandratos, Spiro D.; Gatrone, Ralph C.; Chiarizia, Ronato

    1995-01-01

    An ion exchange resin for extracting metal ions from a liquid waste stream. An ion exchange resin is prepared by copolymerizing a vinylidene diphosphonic acid with styrene, acrylonitrile and divinylbenzene.

  15. Nucleic acid arrays and methods of synthesis

    DOE Patents [OSTI]

    Sabanayagam, Chandran R.; Sano, Takeshi; Misasi, John; Hatch, Anson; Cantor, Charles

    2001-01-01

    The present invention generally relates to high density nucleic acid arrays and methods of synthesizing nucleic acid sequences on a solid surface. Specifically, the present invention contemplates the use of stabilized nucleic acid primer sequences immobilized on solid surfaces, and circular nucleic acid sequence templates combined with the use of isothermal rolling circle amplification to thereby increase nucleic acid sequence concentrations in a sample or on an array of nucleic acid sequences.

  16. Photodissociation dynamics of hydroxybenzoic acids

    SciTech Connect (OSTI)

    Yang Yilin; Dyakov, Yuri; Lee, Y. T.; Ni, Chi-Kung; Sun Yilun; Hu Weiping

    2011-01-21

    Aromatic amino acids have large UV absorption cross-sections and low fluorescence quantum yields. Ultrafast internal conversion, which transforms electronic excitation energy to vibrational energy, was assumed to account for the photostability of amino acids. Recent theoretical and experimental investigations suggested that low fluorescence quantum yields of phenol (chromophore of tyrosine) are due to the dissociation from a repulsive excited state. Radicals generated from dissociation may undergo undesired reactions. It contradicts the observed photostability of amino acids. In this work, we explored the photodissociation dynamics of the tyrosine chromophores, 2-, 3- and 4-hydroxybenzoic acid in a molecular beam at 193 nm using multimass ion imaging techniques. We demonstrated that dissociation from the excited state is effectively quenched for the conformers of hydroxybenzoic acids with intramolecular hydrogen bonding. Ab initio calculations show that the excited state and the ground state potential energy surfaces change significantly for the conformers with intramolecular hydrogen bonding. It shows the importance of intramolecular hydrogen bond in the excited state dynamics and provides an alternative molecular mechanism for the photostability of aromatic amino acids upon irradiation of ultraviolet photons.

  17. Beyond Ketonization: Selective Conversion of Carboxylic Acids...

    Office of Scientific and Technical Information (OSTI)

    Title: Beyond Ketonization: Selective Conversion of Carboxylic Acids to Olefins over Balanced Lewis Acid-base Pairs Dwindling petroleum reserves combined with increased energy ...

  18. In vivo incorporation of unnatural amino acids

    DOE Patents [OSTI]

    Schultz, Peter G.; Wang, Lei; Anderson, John Christopher; Chin, Jason W.; Liu, David R.; Magliery, Thomas J.; Meggers, Eric L.; Mehl, Ryan Aaron; Pastrnak, Miro; Santoro, Stephen William; Zhang, Zhiwen

    2012-05-08

    The invention provides methods and compositions for in vivo incorporation of unnatural amino acids. Also provided are compositions including proteins with unnatural amino acids.

  19. In vivo incorporation of unnatural amino acids

    DOE Patents [OSTI]

    Schultz, Peter G.; Wang, Lei; Anderson, John Christopher; Chin, Jason W.; Liu, David R.; Magliery, Thomas J.; Meggers, Eric L.; Mehl, Ryan Aaron; Pastrnak, Miro; Santoro, Stephen William; Zhang, Zhiwen

    2011-10-04

    The invention provides methods and compositions for in vivo incorporation of unnatural amino acids. Also provided are compositions including proteins with unnatural amino acids.

  20. In vivo incorporation of unnatural amino acids

    DOE Patents [OSTI]

    Schultz, Peter; Wang, Lei; Anderson, John Christopher; Chin, Jason W.; Liu, David R.; Magliery, Thomas J.; Meggers, Eric; Mehl, Ryan Aaron; Pastrnak, Miro; Santoro, Stephen William; Zhang, Zhiwen

    2011-03-29

    The invention provides methods and compositions for in vivo incorporation of unnatural amino acids. Also provided are compositions including proteins with unnatural amino acids.

  1. In vivo incorporation of unnatural amino acids

    DOE Patents [OSTI]

    Schultz, Peter G.; Wang, Lei; Anderson, John Christopher; Chin, Jason W.; Liu, David R.; Magliery, Thomas J.; Meggers, Eric L.; Mehl, Ryan Aaron; Pastrnak, Miro; Santoro, Stephen William; Zhang, Zhiwen

    2012-02-14

    The invention provides methods and compositions for in vivo incorporation of unnatural amino acids. Also provided are compositions including proteins with unnatural amino acids.

  2. In vivo incorporation of unnatural amino acids

    DOE Patents [OSTI]

    Schultz, Peter; Wang, Lei; Anderson, John Christopher; Chin, Jason W.; Liu, David R.; Magliery, Thomas J.; Meggers, Eric; Mehl, Ryan Aaron; Pastrnak, Miro; Santoro, Steven William; Zhang, Zhiwen

    2008-05-06

    The invention provides methods and compositions for in vivo incorporation of unnatural amino acids. Also provided are compositions including proteins with unnatural amino acids.

  3. Acid soluble, pepsin resistant platelet aggregating material

    DOE Patents [OSTI]

    Schneider, Morris D.

    1982-08-31

    Acid soluble, pepsin resistant, platelet aggregating material isolated from equine arterial tissue by extraction with dilute aqueous acid, method of isolation and use to control bleeding.

  4. In vivo incorporation of unnatural amino acids

    DOE Patents [OSTI]

    Schultz, Peter; Wang, Lei; Anderson, John Christopher; Chin, Jason W.; Liu, David R.; Magliery, Thomas J.; Meggers, Eric; Mehl, Ryan Aaron; Pastrnak, Miro

    2009-12-29

    The invention provides methods and compositions for in vivo incorporation of unnatural amino acids. Also provided are compositions including proteins with unnatural amino acids

  5. In vivo incorporation of unnatural amino acids

    DOE Patents [OSTI]

    Schultz, Peter; Wang, Lei; Anderson, John Christopher; Chin, Jason William; Liu, David R.; Magliery, Thomas J.; Meggers, Eric L.; Mehl, Ryan A.; Pastrnak, Miro; Santoro, Steven William; Zhang, Zhiwen

    2006-05-16

    The invention provides methods and compositions for in vivo incorporation of unnatural amino acids. Also provided are compositions including proteins with unnatural amino acids.

  6. Analysis of potential combustion source impacts on acid deposition using an independently derived inventory. Volume I

    SciTech Connect (OSTI)

    Not Available

    1983-12-01

    This project had three major objectives. The first objective was to develop a fossil fuel combustion source inventory (NO/sub x/, SO/sub x/, and hydrocarbon emissions) that would be relatively easy to use and update for analyzing the impact of combustion emissions on acid deposition in the eastern United States. The second objective of the project was to use the inventory data as a basis for selection of a number of areas that, by virtue of their importance in the acid rain issue, could be further studied to assess the impact of local and intraregional combustion sources. The third objective was to conduct an analysis of wet deposition monitoring data in the areas under study, along with pertinent physical characteristics, meteorological conditions, and emission patterns of these areas, to investigate probable relationships between local and intraregional combustion sources and the deposition of acidic material. The combustion source emissions inventory has been developed for the eastern United States. It characterizes all important area sources and point sources on a county-by-county basis. Its design provides flexibility and simplicity and makes it uniquely useful in overall analysis of emission patterns in the eastern United States. Three regions with basically different emission patterns have been identified and characterized. The statistical analysis of wet deposition monitoring data in conjunction with emission patterns, wind direction, and topography has produced consistent results for each study area and has demonstrated that the wet deposition in each area reflects the characteristics of the localized area around the monitoring sites (typically 50 to 150 miles). 8 references, 28 figures, 39 tables.

  7. Thermal Stability of Acetohydroxamic Acid/Nitric Acid Solutions

    SciTech Connect (OSTI)

    Rudisill, T.S.

    2002-03-13

    The transmutation of transuranic actinides and long-lived fission products in spent commercial nuclear reactor fuel has been proposed as one element of the Advanced Accelerator Applications Program. Preparation of targets for irradiation in an accelerator-driven subcritical reactor would involve dissolution of the fuel and separation of uranium, technetium, and iodine from the transuranic actinides and other fission products. The UREX solvent extraction process is being developed to reject and isolate the transuranic actinides in the acid waste stream by scrubbing with acetohydroxamic acid (AHA). To ensure that a runaway reaction will not occur between nitric acid and AHA, an analogue of hydroxyl amine, thermal stability tests were performed to identify if any processing conditions could lead to a runaway reaction.

  8. Acid sorption regeneration process using carbon dioxide

    DOE Patents [OSTI]

    King, C. Judson; Husson, Scott M.

    2001-01-01

    Carboxylic acids are sorbed from aqueous feedstocks onto a solid adsorbent in the presence of carbon dioxide under pressure. The acids are freed from the sorbent phase by a suitable regeneration method, one of which is treating them with an organic alkylamine solution thus forming an alkylamine-carboxylic acid complex which thermally decomposes to the desired carboxylic acid and the alkylamine.

  9. High speed nucleic acid sequencing

    DOE Patents [OSTI]

    Korlach, Jonas; Webb, Watt W.; Levene, Michael; Turner, Stephen; Craighead, Harold G.; Foquet, Mathieu

    2011-05-17

    The present invention is directed to a method of sequencing a target nucleic acid molecule having a plurality of bases. In its principle, the temporal order of base additions during the polymerization reaction is measured on a molecule of nucleic acid. Each type of labeled nucleotide comprises an acceptor fluorophore attached to a phosphate portion of the nucleotide such that the fluorophore is removed upon incorporation into a growing strand. Fluorescent signal is emitted via fluorescent resonance energy transfer between the donor fluorophore and the acceptor fluorophore as each nucleotide is incorporated into the growing strand. The sequence is deduced by identifying which base is being incorporated into the growing strand.

  10. Identifying a base in a nucleic acid

    DOE Patents [OSTI]

    Fodor, Stephen P. A.; Lipshutz, Robert J.; Huang, Xiaohua

    2005-02-08

    Devices and techniques for hybridization of nucleic acids and for determining the sequence of nucleic acids. Arrays of nucleic acids are formed by techniques, preferably high resolution, light-directed techniques. Positions of hybridization of a target nucleic acid are determined by, e.g., epifluorescence microscopy. Devices and techniques are proposed to determine the sequence of a target nucleic acid more efficiently and more quickly through such synthesis and detection techniques.

  11. Acid-functionalized polyolefin materials and their use in acid-promoted chemical reactions

    DOE Patents [OSTI]

    Oyola, Yatsandra; Tian, Chengcheng; Bauer, John Christopher; Dai, Sheng

    2016-06-07

    An acid-functionalized polyolefin material that can be used as an acid catalyst in a wide range of acid-promoted chemical reactions, wherein the acid-functionalized polyolefin material includes a polyolefin backbone on which acid groups are appended. Also described is a method for the preparation of the acid catalyst in which a precursor polyolefin is subjected to ionizing radiation (e.g., electron beam irradiation) of sufficient power and the irradiated precursor polyolefin reacted with at least one vinyl monomer having an acid group thereon. Further described is a method for conducting an acid-promoted chemical reaction, wherein an acid-reactive organic precursor is contacted in liquid form with a solid heterogeneous acid catalyst comprising a polyolefin backbone of at least 1 micron in one dimension and having carboxylic acid groups and either sulfonic acid or phosphoric acid groups appended thereto.

  12. Method of increasing conversion of a fatty acid to its corresponding dicarboxylic acid

    DOE Patents [OSTI]

    Craft, David L.; Wilson, C. Ron; Eirich, Dudley; Zhang, Yeyan

    2004-09-14

    A nucleic acid sequence including a CYP promoter operably linked to nucleic acid encoding a heterologous protein is provided to increase transcription of the nucleic acid. Expression vectors and host cells containing the nucleic acid sequence are also provided. The methods and compositions described herein are especially useful in the production of polycarboxylic acids by yeast cells.

  13. Method for production of petroselinic acid and OMEGA12 hexadecanoic acid in transgenic plants

    DOE Patents [OSTI]

    Ohlrogge, J.B.; Cahoon, E.B.; Shanklin, J.; Somerville, C.R.

    1995-07-04

    The present invention relates to a process for producing lipids containing the fatty acid, petroselinic acid, in plants. The production of petroselinic acid is accomplished by genetically transforming plants which do not normally accumulate petroselinic acid with a gene for a {omega}12 desaturase from another species which does normally accumulate petroselinic acid. 19 figs.

  14. Method for production of petroselinic acid and OMEGA12 hexadecanoic acid in transgenic plants

    DOE Patents [OSTI]

    Ohlrogge, John B.; Cahoon, Edgar B.; Shanklin, John; Somerville, Christopher R.

    1995-01-01

    The present invention relates to a process for producing lipids containing the fatty acid petroselinic acid in plants. The production of petroselinic acid is accomplished by genetically transforming plants which do not normally accumulate petroselinic acid with a gene for a .omega.12 desaturase from another species which does normally accumulate petroselinic acid.

  15. Hydrogenation using hydrides and acid

    DOE Patents [OSTI]

    Bullock, R. Morris

    1990-10-30

    A process for the non-catalytic hydrogenation of organic compounds, which contain at least one reducible functional group, which comprises reacting the organic compound, a hydride complex, preferably a transition metal hydride complex or an organosilane, and a strong acid in a liquid phase.

  16. Process for forming sulfuric acid

    DOE Patents [OSTI]

    Lu, Wen-Tong P.

    1981-01-01

    An improved electrode is disclosed for the anode in a sulfur cycle hydrogen generation process where sulfur dioxie is oxidized to form sulfuric acid at the anode. The active compound in the electrode is palladium, palladium oxide, an alloy of palladium, or a mixture thereof. The active compound may be deposited on a porous, stable, conductive substrate.

  17. Bulk gold catalyzed oxidation reactions of amines and isocyanides and iron porphyrin catalyzed N-H and O-H bond insertion/cyclization reactions of diamines and aminoalcohols

    SciTech Connect (OSTI)

    Klobukowski, Erik

    2011-12-29

    conditions, it was found that the oxidative dehydrogenation of dibenzylamine to Nbenzylidenebenzylamine, with N-methylmorpholine N-oxide (NMMO), was nearly quantitative (96%) within 24 h. However, the reaction with oxygen was much slower, with only a 52% yield of imine product over the same time period. Moreover, the rate of reaction was found to be influenced by the nature of the amine N-oxide. For example, the use of the weakly basic pyridine N-oxide (PyNO) led to an imine yield of only 6% after 24 h. A comparison of amine N-oxide and O2 was also examined in the oxidation of PhCH{sub 2}OH to PhCHO catalyzed by bulk gold. In this reaction, a 52% yield of the aldehyde was achieved when NMMO was used, while only a 7% product yield was afforded when O{sub 2} was the oxidant after 48 h. The bulk gold-catalyzed oxidative dehydrogenation of cyclic amines generates amidines, which upon treatment with Aerosil and water were found to undergo hydrolysis to produce lactams. Moreover, 5-, 6-, and 7-membered lactams could be prepared through a one-pot reaction of cyclic amines by treatment with oxygen, water, bulk gold, and Aerosil. This method is much more atom economical than industrial processes, does not require corrosive acids, and does not generate undesired byproducts. Additionally, the gold and Aerosil catalysts can be readily separated from the reaction mixture. The second project involved studying iron(III) tetraphenylporphyrin chloride, Fe(TPP)Cl, as a homogeneous catalyst for the generation of carbenes from diazo reagents and their reaction with heteroatom compounds. Fe(TPP)Cl, efficiently catalyzed the insertion of carbenes derived from methyl 2-phenyldiazoacetates into O-H bonds of aliphatic and aromatic alcohols. Fe(TPP)Cl was also found to be an effective catalyst for tandem N-H and O-H insertion/cyclization reactions when 1,2-diamines and 1,2-alcoholamines were treated with diazo reagents. This approach provides a one-pot process for synthesizing piperazinones and

  18. Morphology control of open-framework zinc phosphate Zn{sub 4}(H{sub 3}O)(NH{sub 4}){sub 3}(PO{sub 4}){sub 4} via microwave-assisted technique

    SciTech Connect (OSTI)

    Ding, Ling; Song, Yu; Yang, Wei; Xue, Run-Miao; Zhai, Shang-Ru; An, Qing-Da

    2013-08-15

    Open-framework zinc phosphates were synthesized by microwave-assisted technique, and it was shown that the morphology of as-prepared materials could be easily tailored by changing synthesis temperature, reaction time and pH value. During the synthesis, when the reaction temperature increases from 130 C to 220 C, the products transformed from hexagonal prisms to polyhedron along with the disappearance of the hexagonal prisms vertical plane. Simultaneously, both the reaction time and pH value could promote the nucleation and growth of crystal particles. More interestingly, the target products with different morphologies could be obtained by varying the usage of NaOH or NH{sub 3}H{sub 2}O at 130 C during the microwave synthesis process. - Graphical abstract: Zinc phosphates with variable morphologies can be obtained by simply tuning the microwave-heating temperatures. Display Omitted - Highlights: Synthesis of open-framework Zn{sub 4} (H{sub 3}O) (NH{sub 4}){sub 3}(PO{sub 4}){sub 4} compounds employing microwave technique. Dependence of morphology on the reaction conditions. Morphology transformation from hexagonal prisms to polyhedron was observed.

  19. Fuel cell electrolyte membrane with acidic polymer

    DOE Patents [OSTI]

    Hamrock, Steven J.; Larson, James M.; Pham, Phat T.; Frey, Matthew H.; Haugen, Gregory M.; Lamanna, William M.

    2009-04-14

    An electrolyte membrane is formed by an acidic polymer and a low-volatility acid that is fluorinated, substantially free of basic groups, and is either oligomeric or non-polymeric.

  20. Recovery of mercury from acid waste residues

    DOE Patents [OSTI]

    Greenhalgh, Wilbur O.

    1989-12-05

    Mercury can be recovered from nitric acid-containing fluids by reacting the fluid with aluminum metal to produce mercury metal, and then quenching the reactivity of the nitric acid prior to nitration of the mercury metal.

  1. Recovery of mercury from acid waste residues

    DOE Patents [OSTI]

    Greenhalgh, W.O.

    1987-02-27

    Mercury can be recovered from nitric acid-containing fluids by reacting the fluid with aluminum metal to produce mercury metal, and thence quenching the reactivity of the nitric acid prior to nitration of the mercury metal. 1 fig.

  2. Recovery of mercury from acid waste residues

    DOE Patents [OSTI]

    Greenhalgh, Wilbur O.

    1989-01-01

    Mercury can be recovered from nitric acid-containing fluids by reacting the fluid with aluminum metal to produce mercury metal, and then quenching the reactivity of the nitric acid prior to nitration of the mercury metal.

  3. Replica amplification of nucleic acid arrays

    DOE Patents [OSTI]

    Church, George M.

    2002-01-01

    A method of producing a plurality of a nucleic acid array, comprising, in order, the steps of amplifying in situ nucleic acid molecules of a first randomly-patterned, immobilized nucleic acid array comprising a heterogeneous pool of nucleic acid molecules affixed to a support, transferring at least a subset of the nucleic acid molecules produced by such amplifying to a second support, and affixing the subset so transferred to the second support to form a second randomly-patterned, immobilized nucleic acid array, wherein the nucleic acid molecules of the second array occupy positions that correspond to those of the nucleic acid molecules from which they were amplified on the first array, so that the first array serves as a template to produce a plurality, is disclosed.

  4. Thermal Stability Of Formohydroxamic Acid

    SciTech Connect (OSTI)

    Fondeur, F. F.; Rudisill, T. S.

    2011-10-21

    The thermal stability of formohydroxamic acid (FHA) was evaluated to address the potential for exothermic decomposition during storage and its use in the uranium extraction process. Accelerating rate calorimetry showed rapid decomposition at a temperature above 65 {degree}?C; although, the rate of pressure rise was greater than two orders of magnitude less than the lower bound for materials which have no explosive properties with respect to transportation. FHA solutions in water and nitric acid did not reach runaway conditions until 150 {degree}?C. Analysis by differential scanning calorimetry showed that FHA melted at 67 {degree}?C and thermally decomposed at 90 {degree}?C with an enthalpy of -1924 J/g. The energics of the FHA thermal decomposition are comparable to those measured for aqueous solutions of hydroxylamine nitrate. Solid FHA should be stored in a location where the temperature does not exceed 20-25 {degree}?C. As a best practice, the solid material should be stored in a climate-controlled environment such as a refrigerator or freezer. FHA solutions in water are not susceptible to degradation by acid hydrolysis and are the preferred way to handle FHA prior to use.

  5. Capture and release of acid-gasses with acid-gas binding organic compounds

    DOE Patents [OSTI]

    Heldebrant, David J; Yonker, Clement R; Koech, Phillip K

    2015-03-17

    A system and method for acid-gas capture wherein organic acid-gas capture materials form hetero-atom analogs of alkyl-carbonate when contacted with an acid gas. These organic-acid gas capture materials include combinations of a weak acid and a base, or zwitterionic liquids. This invention allows for reversible acid-gas binding to these organic binding materials thus allowing for the capture and release of one or more acid gases. These acid-gas binding organic compounds can be regenerated to release the captured acid gasses and enable these organic acid-gas binding materials to be reused. This enables transport of the liquid capture compounds and the release of the acid gases from the organic liquid with significant energy savings compared to current aqueous systems.

  6. Production of high molecular weight polylactic acid

    DOE Patents [OSTI]

    Bonsignore, Patrick V.

    1995-01-01

    A degradable high molecular weight poly(lactic acid). A poly(lactic acid) has a terminal end group of one of carboxyl or hydroxyl groups with low molecular weight poly(lactic acid) units coupled with linking agents of di-isocyanates, bis-epoxides, bis-oxazolines and bis-ortho esters. The resulting high molecular weight poly(lactic acid) can be used for applications taking advantage of the improved physical properties.

  7. Production of high molecular weight polylactic acid

    DOE Patents [OSTI]

    Bonsignore, P.V.

    1995-11-28

    A degradable high molecular weight poly(lactic acid) is described. The poly(lactic acid) has a terminal end group of one of carboxyl or hydroxyl groups with low molecular weight poly(lactic acid) units coupled with linking agents of di-isocyanates, bis-epoxides, bis-oxazolines and bis-ortho esters. The resulting high molecular weight poly(lactic acid) can be used for applications taking advantage of the improved physical properties.

  8. Unravelling the Mysteries of Carbonic Acid

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

    Unravelling the Mysteries of Carbonic Acid Unravelling the Mysteries of Carbonic Acid Molecular Dynamics Simulations Carried Out at NERSC June 18, 2015 Lynn Yarris, (510) 486-5375, lcyarris@lbl.gov Saykally co2 in water When gaseous carbon dioxide is dissolved in water, its hydrophobic nature carves out a cylindrical cavity, setting the stage for the proton transfer reactions that produce carbonic acid. Blink your eyes and it's long gone. Carbonic acid exists for only a tiny fraction of a second

  9. Nitric acid recovery from waste solutions

    DOE Patents [OSTI]

    Wilson, A. S.

    1959-04-14

    The recovery of nitric acid from aqueous nitrate solutions containing fission products as impurities is described. It is desirable to subject such solutions to concentration by evaporation since nitric acid is regenerated thereby. A difficulty, however, is that the highly radioactive fission product ruthenium is volatilized together with the nitric acid. It has been found that by adding nitrous acid, ruthenium volatilization is suppressed and reduced to a negligible degree so that the distillate obtained is practically free of ruthenium.

  10. NITRIC ACID RECPVERY FROM WASTE COLUTIONS

    DOE Patents [OSTI]

    Wilson, A.S.

    1959-04-14

    The recovery of nitric acid from aqueous nitrate solutions containing fission products as impurities is described. It is desirable to subject such solutions to concentration by evaporation since nitric acid is regenerated thereby. A difficulty, however, is that the highly radioactive fission product ruthenium is volatilized together with the nitric acid. It has been found that by adding nitrous acids ruthenium volatilization is suppressed and reduced to a negligible degree so that the distillate obtained is practically free of rutheniuim.