Sample records for fuel reactivity formation

  1. Engine combustion control via fuel reactivity stratification

    DOEpatents

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

    2015-07-14

    A compression ignition engine uses two or more fuel charges having two or more reactivities to control the timing and duration of combustion. In a preferred implementation, a lower-reactivity fuel charge is injected or otherwise introduced into the combustion chamber, preferably sufficiently early that it becomes at least substantially homogeneously dispersed within the chamber before a subsequent injection is made. One or more subsequent injections of higher-reactivity fuel charges are then made, and these preferably distribute the higher-reactivity matter within the lower-reactivity chamber space such that combustion begins in the higher-reactivity regions, and with the lower-reactivity regions following thereafter. By appropriately choosing the reactivities of the charges, their relative amounts, and their timing, combustion can be tailored to achieve optimal power output (and thus fuel efficiency), at controlled temperatures (and thus controlled NOx), and with controlled equivalence ratios (and thus controlled soot).

  2. Engine combustion control via fuel reactivity stratification

    DOEpatents

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

    2016-06-28

    A compression ignition engine uses two or more fuel charges having two or more reactivities to control the timing and duration of combustion. In a preferred implementation, a lower-reactivity fuel charge is injected or otherwise introduced into the combustion chamber, preferably sufficiently early that it becomes at least substantially homogeneously dispersed within the chamber before a subsequent injection is made. One or more subsequent injections of higher-reactivity fuel charges are then made, and these preferably distribute the higher-reactivity matter within the lower-reactivity chamber space such that combustion begins in the higher-reactivity regions, and with the lower-reactivity regions following thereafter. By appropriately choosing the reactivities of the charges, their relative amounts, and their timing, combustion can be tailored to achieve optimal power output (and thus fuel efficiency), at controlled temperatures (and thus controlled NOx), and with controlled equivalence ratios (and thus controlled soot).

  3. Engine combustion control via fuel reactivity stratification

    DOEpatents

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

    2013-12-31

    A compression ignition engine uses two or more fuel charges having two or more reactivities to control the timing and duration of combustion. In a preferred implementation, a lower-reactivity fuel charge is injected or otherwise introduced into the combustion chamber, preferably sufficiently early that it becomes at least substantially homogeneously dispersed within the chamber before a subsequent injection is made. One or more subsequent injections of higher-reactivity fuel charges are then made, and these preferably distribute the higher-reactivity matter within the lower-reactivity chamber space such that combustion begins in the higher-reactivity regions, and with the lower-reactivity regions following thereafter. By appropriately choose the reactivities of the charges, their relative amounts, and their timing, combustion can be tailored to achieve optimal power output (and thus fuel efficiency), at controlled temperatures (and thus controlled NOx), and with controlled equivalence ratios (and thus controlled soot).

  4. Water reactive hydrogen fuel cell power system

    DOEpatents

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

    2014-01-21

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

  5. Water reactive hydrogen fuel cell power system

    DOEpatents

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

    2014-11-25

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

  6. Re-activation of degraded nickel cermet anodes - Nano-particle formation via reverse current pulses

    NASA Astrophysics Data System (ADS)

    Hauch, A.; Marchese, M.; Lanzini, A.; Graves, C.

    2018-02-01

    The Ni/yttria-stabilized-zirconia (YSZ) cermet is the most commonly applied fuel electrode for solid oxide cells (SOCs). Loss of Ni/YSZ electrode activity is a key life-time limiting factor of the SOC. Developing means to mitigate this loss of performance or re-activate a fuel electrode is therefore important. In this work, we report a series of five tests on state-of-the-art Ni/YSZ-YSZ-CGObarrier-LSC/CGO cells. All cells were deliberately degraded via gas stream impurities in CO2/CO or harsh steam electrolysis operation. The cells were re-activated via a variety of reverse current treatments (RCTs). Via electrochemical impedance spectroscopy, we found that the Ni/YSZ electrode performance could be recovered via RCT, but not via constant fuel cell operation. For optimized RCT, we obtained a lower Ni/YSZ electrode resistance than the initial resistance. E.g. at 700 °C we measured fuel electrode resistance of 180 mΩ cm2, 390 mΩ cm2, and 159 mΩ cm2 before degradation, after degradation and after re-activation via RCT, respectively. Post-test SEM revealed that the RCT led to formation of nano-particles in the fuel electrode. Besides the remarkable improvement, the results also showed that RCTs can weaken Ni/YSZ interfaces and the electrode/electrolyte interface. This indicates that finding an optimum RCT profile is crucial for achieving maximum benefit.

  7. Heating subsurface formations by oxidizing fuel on a fuel carrier

    DOEpatents

    Costello, Michael; Vinegar, Harold J.

    2012-10-02

    A method of heating a portion of a subsurface formation includes drawing fuel on a fuel carrier through an opening formed in the formation. Oxidant is supplied to the fuel at one or more locations in the opening. The fuel is combusted with the oxidant to provide heat to the formation.

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

    DOEpatents

    Herrmann, Steven Douglas

    2014-05-27

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

  9. Two-Dimensional Diffusion Theory Analysis of Reactivity Effects of a Fuel-Plate-Removal Experiment

    NASA Technical Reports Server (NTRS)

    Gotsky, Edward R.; Cusick, James P.; Bogart, Donald

    1959-01-01

    Two-dimensional two-group diffusion calculations were performed on the NASA reactor simulator in order to evaluate the reactivity effects of fuel plates removed successively from the center experimental fuel element of a seven- by three-element core loading at the Oak Ridge Bulk Shielding Facility. The reactivity calculations were performed by two methods: In the first, the slowing-down properties of the experimental fuel element were represented by its infinite media parameters; and, in the second, the finite size of the experimental fuel element was recognized, and the slowing-down properties of the surrounding core were attributed to this small region. The latter calculation method agreed very well with the experimented reactivity effects; the former method underestimated the experimental reactivity effects.

  10. Deposit formation in hydrocarbon rocket fuels

    NASA Technical Reports Server (NTRS)

    Roback, R.; Szetela, E. J.; Spadaccini, L. J.

    1981-01-01

    An experimental program was conducted to study deposit formation in hydrocarbon fuels under flow conditions that exist in high-pressure, rocket engine cooling systems. A high pressure fuel coking test apparatus was designed and developed and was used to evaluate thermal decomposition (coking) limits and carbon deposition rates in heated copper tubes for two hydrocarbon rocket fuels, RP-1 and commercial-grade propane. Tests were also conducted using JP-7 and chemically-pure propane as being representative of more refined cuts of the baseline fuels. A parametric evaluation of fuel thermal stability was performed at pressures of 136 atm to 340 atm, bulk fuel velocities in the range 6 to 30 m/sec, and tube wall temperatures in the range 422 to 811 K. Results indicated that substantial deposit formation occurs with RP-1 fuel at wall temperatures between 600 and 800 K, with peak deposit formation occurring near 700 K. No improvements were obtained when deoxygenated JP-7 fuel was substituted for RP-1. The carbon deposition rates for the propane fuels were generally higher than those obtained for either of the kerosene fuels at any given wall temperature. There appeared to be little difference between commercial-grade and chemically-pure propane with regard to type and quantity of deposit. Results of tests conducted with RP-1 indicated that the rate of deposit formation increased slightly with pressure over the range 136 atm to 340 atm. Finally, lating the inside wall of the tubes with nickel was found to significantly reduce carbon deposition rates for RP-1 fuel.

  11. Reactivity-controlled compression ignition drive cycle emissions and fuel economy estimations using vehicle system simulations

    DOE PAGES

    Curran, Scott J.; Gao, Zhiming; Wagner, Robert M.

    2014-12-22

    In-cylinder blending of gasoline and diesel to achieve reactivity-controlled compression ignition has been shown to reduce NO X and soot emissions while maintaining or improving brake thermal efficiency as compared with conventional diesel combustion. The reactivity-controlled compression ignition concept has an advantage over many advanced combustion strategies in that the fuel reactivity can be tailored to the engine speed and load, allowing stable low-temperature combustion to be extended over more of the light-duty drive cycle load range. In this paper, a multi-mode reactivity-controlled compression ignition strategy is employed where the engine switches from reactivity-controlled compression ignition to conventional diesel combustionmore » when speed and load demand are outside of the experimentally determined reactivity-controlled compression ignition range. The potential for reactivity-controlled compression ignition to reduce drive cycle fuel economy and emissions is not clearly understood and is explored here by simulating the fuel economy and emissions for a multi-mode reactivity-controlled compression ignition–enabled vehicle operating over a variety of US drive cycles using experimental engine maps for multi-mode reactivity-controlled compression ignition, conventional diesel combustion, and a 2009 port-fuel injected gasoline engine. Drive cycle simulations are completed assuming a conventional mid-size passenger vehicle with an automatic transmission. Multi-mode reactivity-controlled compression ignition fuel economy simulation results are compared with the same vehicle powered by a representative 2009 port-fuel injected gasoline engine over multiple drive cycles. Finally, engine-out drive cycle emissions are compared with conventional diesel combustion, and observations regarding relative gasoline and diesel tank sizes needed for the various drive cycles are also summarized.« less

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

    DOE Office of Scientific and Technical Information (OSTI.GOV)

    Reitz, Rolf Deneys; Hanson, Reed M.; Splitter, Derek A.

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

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

    DOEpatents

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

    2014-10-07

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

  14. Reactivity loss validation of high burn-up PWR fuels with pile-oscillation experiments in MINERVE

    DOE Office of Scientific and Technical Information (OSTI.GOV)

    Leconte, P.; Vaglio-Gaudard, C.; Eschbach, R.

    2012-07-01

    The ALIX experimental program relies on the experimental validation of the spent fuel inventory, by chemical analysis of samples irradiated in a PWR between 5 and 7 cycles, and also on the experimental validation of the spent fuel reactivity loss with bum-up, obtained by pile-oscillation measurements in the MINERVE reactor. These latter experiments provide an overall validation of both the fuel inventory and of the nuclear data responsible for the reactivity loss. This program offers also unique experimental data for fuels with a burn-up reaching 85 GWd/t, as spent fuels in French PWRs never exceeds 70 GWd/t up to now.more » The analysis of these experiments is done in two steps with the APOLLO2/SHEM-MOC/CEA2005v4 package. In the first one, the fuel inventory of each sample is obtained by assembly calculations. The calculation route consists in the self-shielding of cross sections on the 281 energy group SHEM mesh, followed by the flux calculation by the Method Of Characteristics in a 2D-exact heterogeneous geometry of the assembly, and finally a depletion calculation by an iterative resolution of the Bateman equations. In the second step, the fuel inventory is used in the analysis of pile-oscillation experiments in which the reactivity of the ALIX spent fuel samples is compared to the reactivity of fresh fuel samples. The comparison between Experiment and Calculation shows satisfactory results with the JEFF3.1.1 library which predicts the reactivity loss within 2% for burn-up of {approx}75 GWd/t and within 4% for burn-up of {approx}85 GWd/t. (authors)« less

  15. Performance of U3Si2 Fuel in a Reactivity Insertion Accident

    DOE Office of Scientific and Technical Information (OSTI.GOV)

    Cheng, Lap Y.; Cuadra, Arantxa; Todosow, Michael

    In this study we examined the performance of the U3Si2 fuel cladded with Zircaloy (Zr) in a reactivity insertion accident (RIA) in a PWR core. The power excursion as a result of a $1 reactivity insertion was calculated by a TRACE PWR plant model using point-kinetics, for alternative cores with UO2 and U3Si2 fuel assemblies. The point-kinetics parameters (feedback coefficients, prompt-neutron lifetime and group constants for six delayed-neutron groups) were obtained from beginning-of-cycle equilibrium full core calculations with PARCS. In the PARCS core calculations, the few-group parameters were developed utilizing the TRITON/NEWT tools in the SCALE package. In order tomore » assess the fuel response in finer detail (e.g. the maximum fuel temperature) the power shape and thermal boundary conditions from the TRACE/PARCS calculations were used to drive a BISON model of a fuel pin with U3Si2 and UO2 respectively. For a $1 reactivity transient both TRACE and BISON predicted a higher maximum fuel temperature for the UO2 fuel than the U3Si2 fuel. Furthermore, BISON is noted to calculate a narrower gap and a higher gap heat transfer coefficient than TRACE. This resulted in BISON predicting consistently lower fuel temperatures than TRACE. This study also provides a systematic comparison between TRACE and BISON using consistent transient boundary conditions. The TRACE analysis of the RIA only reflects the core-wide response in power. A refinement to the analysis would be to predict the local peaking in a three-dimensional core as a result of control rod ejection.« less

  16. Secondary organic aerosol and ozone formation from photo-oxidation of unburned diesel fuel in a surrogate atmospheric environment

    NASA Astrophysics Data System (ADS)

    Li, Weihua; Cocker, David R.

    2018-07-01

    Diesel fuel is a complex mixture of intermediate volatility organic compounds (IVOCs). Previous studies focused on secondary organic aerosol (SOA) and ozone formation from photo-oxidation of organic vapor from diesel exhaust and their components such as aromatics and heavy alkanes. However, there are few studies on atmospheric behavior of unburnt diesel. Therefore, in this study, ten unburnt #2 commercial diesel samples and one FACE9A research diesel fuel were photo-oxidized in the University of California Riverside, College of Engineering-Center for Environmental Research & Technology dual environmental chambers to investigate their SOA and ozone production potential. Photochemical aging rapidly produced significant SOA (yield ∼20.3-37.7%) in the presence of a surrogate reactive organic gas (ROG) mixture used to mimic urban atmospheric reactivity. SOA yields were consistent with n-Heptadecane yields under similar conditions. Doubling NOx concentrations within relevant urban concentration levels enhanced SOA formation by 33% and ozone formation by 48%. SOA formation in this study was approximately fourteen times higher than previously reported for very high NOx conditions. An SOA experiment designed to mimic the previous work achieved similar yields to the earlier work. SOA formed under urban relevant NOx concentrations were consistent with semi-volatile-oxygenated organic aerosol (SV-OOA) and underwent little further chemical processing once produced.

  17. Technical Basis for Peak Reactivity Burnup Credit for BWR Spent Nuclear Fuel in Storage and Transportation Systems

    DOE Office of Scientific and Technical Information (OSTI.GOV)

    Marshall, William BJ J; Ade, Brian J; Bowman, Stephen M

    2015-01-01

    Oak Ridge National Laboratory and the United States Nuclear Regulatory Commission have initiated a multiyear project to investigate application of burnup credit for boiling-water reactor (BWR) fuel in storage and transportation casks. This project includes two phases. The first phase (1) investigates applicability of peak reactivity methods currently used in spent fuel pools (SFPs) to storage and transportation systems and (2) evaluates validation of both reactivity (k eff) calculations and burnup credit nuclide concentrations within these methods. The second phase will focus on extending burnup credit beyond peak reactivity. This paper documents the first phase, including an analysis of latticemore » design parameters and depletion effects, as well as both validation components. Initial efforts related to extended burnup credit are discussed in a companion paper. Peak reactivity analyses have been used in criticality analyses for licensing of BWR fuel in SFPs over the last 20 years. These analyses typically combine credit for the gadolinium burnable absorber present in the fuel with a modest amount of burnup credit. Gadolinium burnable absorbers are used in BWR assemblies to control core reactivity. The burnable absorber significantly reduces assembly reactivity at beginning of life, potentially leading to significant increases in assembly reactivity for burnups less than 15–20 GWd/MTU. The reactivity of each fuel lattice is dependent on gadolinium loading. The number of gadolinium-bearing fuel pins lowers initial lattice reactivity, but it has a small impact on the burnup and reactivity of the peak. The gadolinium concentration in each pin has a small impact on initial lattice reactivity but a significant effect on the reactivity of the peak and the burnup at which the peak occurs. The importance of the lattice parameters and depletion conditions are primarily determined by their impact on the gadolinium depletion. Criticality code validation for BWR burnup

  18. Fuel composition and secondary organic aerosol formation: gas-turbine exhaust and alternative aviation fuels.

    PubMed

    Miracolo, Marissa A; Drozd, Greg T; Jathar, Shantanu H; Presto, Albert A; Lipsky, Eric M; Corporan, Edwin; Robinson, Allen L

    2012-08-07

    A series of smog chamber experiments were performed to investigate the effects of fuel composition on secondary particulate matter (PM) formation from dilute exhaust from a T63 gas-turbine engine. Tests were performed at idle and cruise loads with the engine fueled on conventional military jet fuel (JP-8), Fischer-Tropsch synthetic jet fuel (FT), and a 50/50 blend of the two fuels. Emissions were sampled into a portable smog chamber and exposed to sunlight or artificial UV light to initiate photo-oxidation. Similar to previous studies, neat FT fuel and a 50/50 FT/JP-8 blend reduced the primary particulate matter emissions compared to neat JP-8. After only one hour of photo-oxidation at typical atmospheric OH levels, the secondary PM production in dilute exhaust exceeded primary PM emissions, except when operating the engine at high load on FT fuel. Therefore, accounting for secondary PM production should be considered when assessing the contribution of gas-turbine engine emissions to ambient PM levels. FT fuel substantially reduced secondary PM formation in dilute exhaust compared to neat JP-8 at both idle and cruise loads. At idle load, the secondary PM formation was reduced by a factor of 20 with the use of neat FT fuel, and a factor of 2 with the use of the blend fuel. At cruise load, the use of FT fuel resulted in no measured formation of secondary PM. In every experiment, the secondary PM was dominated by organics with minor contributions from sulfate when the engine was operated on JP-8 fuel. At both loads, FT fuel produces less secondary organic aerosol than JP-8 because of differences in the composition of the fuels and the resultant emissions. This work indicates that fuel reformulation may be a viable strategy to reduce the contribution of emissions from combustion systems to secondary organic aerosol production and ultimately ambient PM levels.

  19. Impact investigation of reactor fuel operating parameters on reactivity for use in burnup credit applications

    NASA Astrophysics Data System (ADS)

    Sloma, Tanya Noel

    When representing the behavior of commercial spent nuclear fuel (SNF), credit is sought for the reduced reactivity associated with the net depletion of fissile isotopes and the creation of neutron-absorbing isotopes, a process that begins when a commercial nuclear reactor is first operated at power. Burnup credit accounts for the reduced reactivity potential of a fuel assembly and varies with the fuel burnup, cooling time, and the initial enrichment of fissile material in the fuel. With regard to long-term SNF disposal and transportation, tremendous benefits, such as increased capacity, flexibility of design and system operations, and reduced overall costs, provide an incentive to seek burnup credit for criticality safety evaluations. The Nuclear Regulatory Commission issued Interim Staff Guidance 8, Revision 2 in 2002, endorsing burnup credit of actinide composition changes only; credit due to actinides encompasses approximately 30% of exiting pressurized water reactor SNF inventory and could potentially be increased to 90% if fission product credit were accepted. However, one significant issue for utilizing full burnup credit, compensating for actinide and fission product composition changes, is establishing a set of depletion parameters that produce an adequately conservative representation of the fuel's isotopic inventory. Depletion parameters can have a significant effect on the isotopic inventory of the fuel, and thus the residual reactivity. This research seeks to quantify the reactivity impact on a system from dominant depletion parameters (i.e., fuel temperature, moderator density, burnable poison rod, burnable poison rod history, and soluble boron concentration). Bounding depletion parameters were developed by statistical evaluation of a database containing reactor operating histories. The database was generated from summary reports of commercial reactor criticality data. Through depletion calculations, utilizing the SCALE 6 code package, several light

  20. Orbit selection of nanosatellite formation in term of fuel consumption

    NASA Astrophysics Data System (ADS)

    Pimnoo, Ammarin; Hiraki, Koju

    In nanosatellite formation mission design, orbit selection is a necessary factor. Fuel consumption is also necessary to maintain the orbit. Therefore, the best orbit should be the one of minimum fuel consumption for nanosatellite formation. The purpose of this paper is to provide a convenient way to estimate fuel consumption for a nanosatellite to keep formation flying. The formation is disturbed by J _{2} perturbation and other perturbing accelerations. Firstly, the Hill-Clohessy-Wiltshire equations are used in the analysis. Gaussian variation of parameters is included into the Hill’s equation to analyze the variation of Kaplerian orbital elements. The J _{2} perturbation and other perturbing accelerations such as atmospheric drag, solar-radiation pressure and third-body perturbations are considered. Thus, a linear model based on Hill’s equation is established to estimate fuel consumption. Finally, an example of the best orbit for formation flying with minimum fuel consumption shall be presented.

  1. Reactive atomistic simulations of shock-induced initiation processes in mixtures of ammonium nitrate and fuel oil

    NASA Astrophysics Data System (ADS)

    Thompson, Aidan P.; Shan, Tzu-Ray

    2014-05-01

    Ammonium nitrate mixed with fuel oil (ANFO) is a commonly used blasting agent. In this paper we investigated the shock properties of pure ammonium nitrate (AN) and two different mixtures of ammonium nitrate and n-dodecane by characterizing their Hugoniot states. We simulated shock compression of pure AN and ANFO mixtures using the Multi-scale Shock Technique, and observed differences in chemical reaction. We also performed a large-scale explicit sub-threshold shock of AN crystal with a 10 nm void filled with 4.4 wt% of n-dodecane. We observed the formation of hotspots and enhanced reactivity at the interface region between AN and n-dodecane molecules.

  2. Reactivity Insertion Accident (RIA) Capability Status in the BISON Fuel Performance Code

    DOE Office of Scientific and Technical Information (OSTI.GOV)

    Williamson, Richard L.; Folsom, Charles Pearson; Pastore, Giovanni

    2016-05-01

    One of the Challenge Problems being considered within CASL relates to modelling and simulation of Light Water Reactor LWR) fuel under Reactivity Insertion Accident (RIA) conditions. BISON is the fuel performance code used within CASL for LWR fuel under both normal operating and accident conditions, and thus must be capable of addressing the RIA challenge problem. This report outlines required BISON capabilities for RIAs and describes the current status of the code. Information on recent accident capability enhancements, application of BISON to a RIA benchmark exercise, and plans for validation to RIA behavior are included.

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

    DOE Office of Scientific and Technical Information (OSTI.GOV)

    Ferrer, R.; Rhodes, J.; Smith, K.

    2012-07-01

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

  4. Tuning Energetic Material Reactivity Using Surface Functionalization of Aluminum Fuels

    DTIC Science & Technology

    2012-10-30

    analysis of three different thermites consisting of aluminum (Al) particles with and without surface functionalization combined with molybdenum...of thermites , aluminum synthesis, aluminum fluoropolymer combustion, acid coatings Keerti S. Kappagantula, Cory Farley, Michelle L. Pantoya, Jillian...Reactivity Using Surface Functionalization of Aluminum Fuels Report Title ABSTRACT Combustion analysis of three different thermites consisting of aluminum (Al

  5. Trifluoperazine inhibits acetaminophen-induced hepatotoxicity and hepatic reactive nitrogen formation in mice and in freshly isolated hepatocytes.

    PubMed

    Banerjee, Sudip; Melnyk, Stepan B; Krager, Kimberly J; Aykin-Burns, Nukhet; McCullough, Sandra S; James, Laura P; Hinson, Jack A

    2017-01-01

    The hepatotoxicity of acetaminophen (APAP) occurs by initial metabolism to N-acetyl-p-benzoquinone imine which depletes GSH and forms APAP-protein adducts. Subsequently, the reactive nitrogen species peroxynitrite is formed from nitric oxide (NO) and superoxide leading to 3-nitrotyrosine in proteins. Toxicity occurs with inhibited mitochondrial function. We previously reported that in hepatocytes the nNOS (NOS1) inhibitor NANT inhibited APAP toxicity, reactive nitrogen and oxygen species formation, and mitochondrial dysfunction. In this work we examined the effect of trifluoperazine (TFP), a calmodulin antagonist that inhibits calcium induced nNOS activation, on APAP hepatotoxicity and reactive nitrogen formation in murine hepatocytes and in vivo . In freshly isolated hepatocytes TFP inhibited APAP induced toxicity, reactive nitrogen formation (NO, GSNO, and 3-nitrotyrosine in protein), reactive oxygen formation (superoxide), loss of mitochondrial membrane potential, decreased ATP production, decreased oxygen consumption rate, and increased NADH accumulation. TFP did not alter APAP induced GSH depletion in the hepatocytes or the formation of APAP protein adducts which indicated that reactive metabolite formation was not inhibited. Since we previously reported that TFP inhibits the hepatotoxicity of APAP in mice without altering hepatic APAP-protein adduct formation, we examined the APAP treated mouse livers for evidence of reactive nitrogen formation. 3-Nitrotyrosine in hepatic proteins and GSNO were significantly increased in APAP treated mouse livers and decreased in the livers of mice treated with APAP plus TFP. These data are consistent with a hypothesis that APAP hepatotoxicity occurs with altered calcium metabolism, activation of nNOS leading to increased reactive nitrogen formation, and mitochondrial dysfunction.

  6. Fuel-optimal low-thrust formation reconfiguration via Radau pseudospectral method

    NASA Astrophysics Data System (ADS)

    Li, Jing

    2016-07-01

    This paper investigates fuel-optimal low-thrust formation reconfiguration near circular orbit. Based on the Clohessy-Wiltshire equations, first-order necessary optimality conditions are derived from the Pontryagin's maximum principle. The fuel-optimal impulsive solution is utilized to divide the low-thrust trajectory into thrust and coast arcs. By introducing the switching times as optimization variables, the fuel-optimal low-thrust formation reconfiguration is posed as a nonlinear programming problem (NLP) via direct transcription using multiple-phase Radau pseudospectral method (RPM), which is then solved by a sparse nonlinear optimization software SNOPT. To facilitate optimality verification and, if necessary, further refinement of the optimized solution of the NLP, formulas for mass costate estimation and initial costates scaling are presented. Numerical examples are given to show the application of the proposed optimization method. To fix the problem, generic fuel-optimal low-thrust formation reconfiguration can be simplified as reconfiguration without any initial and terminal coast arcs, whose optimal solutions can be efficiently obtained from the multiple-phase RPM at the cost of a slight fuel increment. Finally, influence of the specific impulse and maximum thrust magnitude on the fuel-optimal low-thrust formation reconfiguration is analyzed. Numerical results shown the links and differences between the fuel-optimal impulsive and low-thrust solutions.

  7. Oxidation and formation of deposit precursors in hydrocarbon fuels

    NASA Technical Reports Server (NTRS)

    Mayo, F. R.; Lan, B.; Cotts, D. B.; Buttrill, S. E., Jr.; St.john, G. A.

    1983-01-01

    The oxidation of two jet turbine fuels and some pure hydrocarbons was studied at 130 C with and without the presence of small amounts of N-methyl pyrrole (NMP) or indene. Tendency to form solid-deposit precursors was studied by measuring soluble gum formation as well as dimer and trimer formation using field ionization mass spectrometry. Pure n-dodecane oxidized fastest and gave the smallest amount of procursors. An unstable fuel oil oxidized much slower but formed large amounts of precursors. Stable Jet A fuel oxidized slowest and gave little precursors. Indene either retarded or accelerated the oxidation of n-dodecane, depending on its concentration, but always caused more gum formation. The NMP greatly retarded n-dodecane oxidation but accelerated Jet A oxidation and greatly increased the latter's gum formation. In general, the additive reacted faster and formed most of the gum. Results are interpreted in terms of classical cooxidation theory. The effect of oxygen pressure on gum formation is also reported.

  8. Fuel Efficient Strategies for Reducing Contrail Formations in United States Air Space

    NASA Technical Reports Server (NTRS)

    Sridhar, Banavar; Chen, Neil Y.; Ng, Hok K.

    2010-01-01

    This paper describes a class of strategies for reducing persistent contrail formation in the United States airspace. The primary objective is to minimize potential contrail formation regions by altering the aircraft's cruising altitude in a fuel-efficient way. The results show that the contrail formations can be reduced significantly without extra fuel consumption and without adversely affecting congestion in the airspace. The contrail formations can be further reduced by using extra fuel. For the day tested, the maximal reduction strategy has a 53% contrail reduction rate. The most fuel-efficient strategy has an 8% reduction rate with 2.86% less fuel-burnt compared to the maximal reduction strategy. Using a cost function which penalizes extra fuel consumed while maximizing the amount of contrail reduction provides a flexible way to trade off between contrail reduction and fuel consumption. It can achieve a 35% contrail reduction rate with only 0.23% extra fuel consumption. The proposed fuel-efficient contrail reduction strategy provides a solution to reduce aviation-induced environmental impact on a daily basis.

  9. 40 CFR Appendix Viii to Part 600 - Fuel Economy Label Formats

    Code of Federal Regulations, 2010 CFR

    2010-07-01

    ... 40 Protection of Environment 29 2010-07-01 2010-07-01 false Fuel Economy Label Formats VIII Appendix VIII to Part 600 Protection of Environment ENVIRONMENTAL PROTECTION AGENCY (CONTINUED) ENERGY POLICY FUEL ECONOMY AND CARBON-RELATED EXHAUST EMISSIONS OF MOTOR VEHICLES Pt. 600, App. VIII Appendix VIII to Part 600—Fuel Economy Label Formats...

  10. 40 CFR Appendix Viii to Part 600 - Fuel Economy Label Formats

    Code of Federal Regulations, 2011 CFR

    2011-07-01

    ... 40 Protection of Environment 30 2011-07-01 2011-07-01 false Fuel Economy Label Formats VIII... POLICY FUEL ECONOMY AND CARBON-RELATED EXHAUST EMISSIONS OF MOTOR VEHICLES Pt. 600, App. VIII Appendix VIII to Part 600—Fuel Economy Label Formats EC01MY92.117 EC01MY92.118 EC01MY92.119 EC01MY92.120...

  11. A Study of Pollutant Formation from the Lean Premixed Combustion of Gaseous Fuel Alternatives to Natural Gas

    NASA Astrophysics Data System (ADS)

    Fackler, Keith Boyd, Jr.

    emissions decrease with increasing H2 fuel fraction for combustion of CH4/H2 blends. This appears to be caused by a reduction in the amount of NO made by the prompt pathway involving the reaction of N2 with hydrocarbon radicals as the CH4 is replaced by H2. 2.) For category 2 (the process and refinery blend) and category 5 (the LNG, shale, and associated gases), NOx emissions increase with the addition of C2 and C3 hydrocarbons. This could be due to an increased production of free radicals resulting from increasing CO production when higher molecular weight hydrocarbons are broken down. 3.) For category 3 (the O2 blown gasified coal/petcoke), NOx emissions increase with increasing CO fuel fraction. The reason for this is attributed to CO producing more radicals per unit heat release than H2. When CO replaces H2, an increase in NOx emissions is seen due to an increase in the productivity of the N2O, NNH, and Zeldovich pathways. 4.) For category 4 (the landfill gas) the addition of diluents such as CO2 and N2 at constant air flow produces more NOx per kg of CH4 consumed, and N2 is more effective than CO 2 in increasing the NOx emission index. The increase in emission index appears to be due to an enhancement of the prompt NOx pathway as the diluents are added and the mixture moves towards stoichiometric. In addition, the presence of CO2 as a diluent catalyzes the loss of flame radicals, leading to less NOx formation than when an equivalent amount of N2 is used as a diluent. For a selected set of fuels, detailed spacial reactor probing is carried out. At the nominal temperature and residence time, the experimental results show the following trends for flame structure as a function of fuel type: 1.) Pure H2 is far more reactive in comparison to CH4 and all other pure alkane fuels. This results in relatively flat NO x and temperature profiles; whereas, the alkane fuels drop in both temperature and NOx production in the jet, where more fresh reactor feed gases are present. 2

  12. Gum and deposit formation from jet turbine and diesel fuels

    DOE Office of Scientific and Technical Information (OSTI.GOV)

    Mayo, F.R.; Lan, B.Y.

    1983-09-01

    The present paper describes measurements of rates of oxidation and soluble gum formation in both pure hydrocarbons and in mixed hydrocarbon fuels. Some patterns which appear can be explained on the basis of what is known about co-oxidation of hydrocarbon mixtures. The oxidations were conducted in an oil bath at 130/sup 0/C. Gum formation is closely associated with oxidation. The compounds that copolymerize with oxygen to produce polyperoxides require the least amount of oxygen to yield a mg of gum; among other pure hydrocarbons and fuels, the rates of gum formation and oxygen absorption decrease together. The most useful approachmore » to understanding and reducing gum and deposit formation will come through understanding the effects of condensed aromatic and heterocyclic compounds on the oxidation rates of fuels. 4 figures. 4 tables.« less

  13. Hydroxide Self-Feeding High-Temperature Alkaline Direct Formate Fuel Cells.

    PubMed

    Li, Yinshi; Sun, Xianda; Feng, Ying

    2017-05-22

    Conventionally, both the thermal degradation of the anion-exchange membrane and the requirement of additional hydroxide for fuel oxidation reaction hinder the development of the high-temperature alkaline direct liquid fuel cells. The present work addresses these two issues by reporting a polybenzimidazole-membrane-based direct formate fuel cell (DFFC). Theoretically, the cell voltage of the high-temperature alkaline DFFC can be as high as 1.45 V at 90 °C. It has been demonstrated that a proof-of-concept alkaline DFFC without adding additional hydroxide yields a peak power density of 20.9 mW cm -2 , an order of magnitude higher than both alkaline direct ethanol fuel cells and alkaline direct methanol fuel cells, mainly because the hydrolysis of formate provides enough OH - ions for formate oxidation reaction. It was also found that this hydroxide self-feeding high-temperature alkaline DFFC shows a stable 100 min constant-current discharge at 90 °C, proving the conceptual feasibility. © 2017 Wiley-VCH Verlag GmbH & Co. KGaA, Weinheim.

  14. A microfluidic direct formate fuel cell on paper.

    PubMed

    Copenhaver, Thomas S; Purohit, Krutarth H; Domalaon, Kryls; Pham, Linda; Burgess, Brianna J; Manorothkul, Natalie; Galvan, Vicente; Sotez, Samantha; Gomez, Frank A; Haan, John L

    2015-08-01

    We describe the first direct formate fuel cell on a paper microfluidic platform. In traditional membrane-less microfluidic fuel cells (MFCs), external pumping consumes power produced by the fuel cell in order to maintain co-laminar flow of the anode stream and oxidant stream to prevent mixing. However, in paper microfluidics, capillary action drives flow while minimizing stream mixing. In this work, we demonstrate a paper MFC that uses formate and hydrogen peroxide as the anode fuel and cathode oxidant, respectively. Using these materials we achieve a maximum power density of nearly 2.5 mW/mg Pd. In a series configuration, our MFC achieves an open circuit voltage just over 1 V, and in a parallel configuration, short circuit of 20 mA absolute current. We also demonstrate that the MFC does not require continuous flow of fuel and oxidant to produce power. We found that we can pre-saturate the materials on the paper, stop the electrolyte flow, and still produce approximately 0.5 V for 15 min. This type of paper MFC has potential applications in point-of-care diagnostic devices and other electrochemical sensors. © 2014 WILEY-VCH Verlag GmbH & Co. KGaA, Weinheim.

  15. Pebble Fuel Handling and Reactivity Control for Salt-Cooled High Temperature Reactors

    DOE Office of Scientific and Technical Information (OSTI.GOV)

    Peterson, Per; Greenspan, Ehud

    2015-02-09

    This report documents the work completed on the X-PREX facility under NEUP Project 11- 3172. This project seeks to demonstrate the viability of pebble fuel handling and reactivity control for fluoride salt-cooled high-temperature reactors (FHRs). The research results also improve the understanding of pebble motion in helium-cooled reactors, as well as the general, fundamental understanding of low-velocity granular flows. Successful use of pebble fuels in with salt coolants would bring major benefits for high-temperature reactor technology. Pebble fuels enable on-line refueling and operation with low excess reactivity, and thus simpler reactivity control and improved fuel utilization. If fixed fuel designsmore » are used, the power density of salt- cooled reactors is limited to 10 MW/m 3 to obtain adequate duration between refueling, but pebble fuels allow power densities in the range of 20 to 30 MW/m 3. This can be compared to the typical modular helium reactor power density of 5 MW/m3. Pebble fuels also permit radial zoning in annular cores and use of thorium or graphite pebble blankets to reduce neutron fluences to outer radial reflectors and increase total power production. Combined with high power conversion efficiency, compact low-pressure primary and containment systems, and unique safety characteristics including very large thermal margins (>500°C) to fuel damage during transients and accidents, salt-cooled pebble fuel cores offer the potential to meet the major goals of the Advanced Reactor Concepts Development program to provide electricity at lower cost than light water reactors with improved safety and system performance.This report presents the facility description, experimental results, and supporting simulation methods of the new X-Ray Pebble Recirculation Experiment (X-PREX), which is now operational and being used to collect data on the behavior of slow dense granular flows relevant to pebble bed reactor core designs. The X-PREX facility uses

  16. The formation of reactive species having hydroxyl radical-like reactivity from UV photolysis of N-nitrosodimethylamine (NDMA): kinetics and mechanism.

    PubMed

    Kwon, Bum Gun; Kim, Jong-Oh; Namkung, Kyu Cheol

    2012-10-15

    This study focuses on the detailed mechanism by which N-nitrosodimethylamine (NDMA) is photolyzed to form oxidized products, i.e., NO(2)(-) and NO(3)(-), and reveals a key reactive species produced during the photolysis of NDMA. Under acidic conditions, NO(2)(-) formed from the photodecomposition of NDMA was more prevalent than NO(3)(-). In this result, key species for the formation of NO(2)(-) are presumably N(2)O(3) and N(2)O(4) as termination products as well as NO and O(2) as reactants. Conversely, under alkaline conditions, NO(3)(-) was more prevalent than NO(2)(-). For this result, a key species for NO(3)(-) formation is presumably peroxynitrite (ONOO(-)). A detailed mechanistic study was performed with a competition reaction (or kinetics) between NDMA and p-nitrosodimethylaniline (PNDA) probe for hydroxyl radical (OH). It is fortuitous that the second-order rate constant for NDMA with an unknown reactive species (URS) was 5.13×10(8) M(-1) s(-1), which was similar to its published value for the reaction of NDMA+OH. Our study results showed that a key reactive species generated during NDMA photo-decomposition had hydroxyl radical-like reactivity and in particular, under alkaline conditions, it is most likely ONOO(-) as a source of nitrate ion. Therefore, for the first time, we experimentally report that an URS having OH-like reactivity can be formed during photochemical NDMA decomposition. This URS could contribute to the formations of NO(2)(-) and NO(3)(-). Copyright © 2012 Elsevier B.V. All rights reserved.

  17. Reactivation of Chromosomally Integrated Human Herpesvirus-6 by Telomeric Circle Formation

    PubMed Central

    Prusty, Bhupesh K.; Krohne, George; Rudel, Thomas

    2013-01-01

    More than 95% of the human population is infected with human herpesvirus-6 (HHV-6) during early childhood and maintains latent HHV-6 genomes either in an extra-chromosomal form or as a chromosomally integrated HHV-6 (ciHHV-6). In addition, approximately 1% of humans are born with an inheritable form of ciHHV-6 integrated into the telomeres of chromosomes. Immunosuppression and stress conditions can reactivate latent HHV-6 replication, which is associated with clinical complications and even death. We have previously shown that Chlamydia trachomatis infection reactivates ciHHV-6 and induces the formation of extra-chromosomal viral DNA in ciHHV-6 cells. Here, we propose a model and provide experimental evidence for the mechanism of ciHHV-6 reactivation. Infection with Chlamydia induced a transient shortening of telomeric ends, which subsequently led to increased telomeric circle (t-circle) formation and incomplete reconstitution of circular viral genomes containing single viral direct repeat (DR). Correspondingly, short t-circles containing parts of the HHV-6 DR were detected in cells from individuals with genetically inherited ciHHV-6. Furthermore, telomere shortening induced in the absence of Chlamydia infection also caused circularization of ciHHV-6, supporting a t-circle based mechanism for ciHHV-6 reactivation. PMID:24367281

  18. Fuel injector utilizing non-thermal plasma activation

    DOEpatents

    Coates, Don M [Santa Fe, NM; Rosocha, Louis A [Los Alamos, NM

    2009-12-01

    A non-thermal plasma assisted combustion fuel injector that uses an inner and outer electrode to create an electric field from a high voltage power supply. A dielectric material is operatively disposed between the two electrodes to prevent arcing and to promote the formation of a non-thermal plasma. A fuel injector, which converts a liquid fuel into a dispersed mist, vapor, or aerosolized fuel, injects into the non-thermal plasma generating energetic electrons and other highly reactive chemical species.

  19. Gum and deposit formation in diesel fuels. Final report, 1984-1988

    DOE Office of Scientific and Technical Information (OSTI.GOV)

    Mayo, F.R.; Mill, T.

    1988-05-15

    The authors examined two aspects of the stability of diesel fuels in storage: the formation of sediments in suspension, which subsequently clog filters, and the formation of soluble gum, which passes the filters but then forms hard deposits on hot engine parts. Research on fuel stability at SRI during the last 6 years has shown that soluble gum appears first on storage, and then part of it grows into sediment. If the oxidation mixture is agitated gently, the precipitating gum grows on the surface gum, and no loose sediment is formed. Three mechanisms of gum formation were distinguished: (1) amore » process intimately associated with chain propagation and termination during oxidation, (2) a coupling of fuel molecules by decomposing peroxides in the absence of oxygen, and (3) a condensation of naphthols and aldehydes from the oxidation of alkylnaphthalenes. The polymeric oxidation products from a JP-8 fuel are shown to be largely responsible for deposits in the Jet Fuel Thermal Oxidation Tester (JFTOT).« less

  20. Flame extinction limit and particulates formation in fuel blends

    NASA Astrophysics Data System (ADS)

    Subramanya, Mahesh

    Many fuels used in material processing and power generation applications are generally a blend of various hydrocarbons. Although the combustion and aerosol formation dynamics of individual fuels is well understood, the flame dynamics of fuel blends are yet to be characterized. This research uses a twin flame counterflow burner to measure flame velocity, flame extinction, particulate formation and particulate morphology of hydrogen fuel blend flames at different H2 concentration, oscillation frequencies and stretch conditions. Phase resolved spectroscopic measurements (emission spectra) of OH, H, O and CH radical/atom concentrations is used to characterize the heat release processes of the flame. In addition flame generated particulates are collected using thermophoretic sample technique and are qualitative analyzed using Raman Spectroscopy and SEM. Such measurements are essential for the development of advanced computational tools capable of predicting fuel blend flame characteristics at realistic combustor conditions. The data generated through the measurements of this research are representative, and yet accurate, with unique well defined boundary conditions which can be reproduced in numerical computations for kinetic code validations.

  1. Deposit formation and heat transfer in hydrocarbon rocket fuels

    NASA Technical Reports Server (NTRS)

    Giovanetti, A. J.; Spadaccini, L. J.; Szetela, E. J.

    1983-01-01

    An experimental research program was undertaken to investigate the thermal stability and heat transfer characteristics of several hydrocarbon fuels under conditions that simulate high-pressure, rocket engine cooling systems. The rates of carbon deposition in heated copper and nickel-plated copper tubes were determined for RP-1, propane, and natural gas using a continuous flow test apparatus which permitted independent variation and evaluation of the effect on deposit formation of wall temperature, fuel pressure, and fuel velocity. In addition, the effects of fuel additives and contaminants, cryogenic fuel temperatures, and extended duration testing with intermittent operation were examined. Parametric tests to map the thermal stability characteristics of RP-1, commercial-grade propane, and natural gas were conducted at pressures of 6.9 to 13.8 MPa, bulk fuel velocities of 30 to 90 m/s, and tube wall temperatures in the range of 230 to 810 K. Also, tests were run in which propane and natural gas fuels were chilled to 230 and 160 K, respectively. Corrosion of the copper tube surface was detected for all fuels tested. Plating the inside of the copper tubes with nickel reduced deposit formation and eliminated tube corrosion in most cases. The lowest rates of carbon deposition were obtained for natural gas, and the highest rates were obtained for propane. For all fuels tested, the forced-convection heat transfer film coefficients were satisfactorily correlated using a Nusselt-Reynolds-Prandtl number equation.

  2. 40 CFR 600.307-95 - Fuel economy label format requirements.

    Code of Federal Regulations, 2010 CFR

    2010-07-01

    ... 40 Protection of Environment 29 2010-07-01 2010-07-01 false Fuel economy label format requirements. 600.307-95 Section 600.307-95 Protection of Environment ENVIRONMENTAL PROTECTION AGENCY (CONTINUED) ENERGY POLICY FUEL ECONOMY AND CARBON-RELATED EXHAUST EMISSIONS OF MOTOR VEHICLES Fuel Economy Regulations for 1977 and Later Model Year Automobile...

  3. 40 CFR 600.307-86 - Fuel economy label format requirements.

    Code of Federal Regulations, 2010 CFR

    2010-07-01

    ... 40 Protection of Environment 29 2010-07-01 2010-07-01 false Fuel economy label format requirements. 600.307-86 Section 600.307-86 Protection of Environment ENVIRONMENTAL PROTECTION AGENCY (CONTINUED) ENERGY POLICY FUEL ECONOMY AND CARBON-RELATED EXHAUST EMISSIONS OF MOTOR VEHICLES Fuel Economy Regulations for 1977 and Later Model Year Automobile...

  4. NOx formation in combustion of gaseous fuel in ejection burner

    NASA Astrophysics Data System (ADS)

    Rimár, Miroslav; Kulikov, Andrii

    2016-06-01

    The aim of this work is to prepare model for researching of the formation in combustion of gaseous fuels. NOx formation is one of the main ecological problems nowadays as nitrogen oxides is one of main reasons of acid rains. The ANSYS model was designed according to the calculation to provide full combustion and good mixing of the fuel and air. The current model is appropriate to research NOx formation and the influence of the different principles of NOx reduction method. Applying of designed model should spare both time of calculations and research and also money as you do not need to measure the burner characteristics.

  5. Deposit formation in liquid fuels. III - The effect of selected nitrogen compounds on diesel fuel

    NASA Technical Reports Server (NTRS)

    Worstell, J. H.; Daniel, S. R.; Frauenhoff, G.

    1981-01-01

    The influence of substituted quinolines, pyrroles, indoles, and pyridines on deposit formation in a diesel fuel is evaluated. Significant increases in deposition rate are found which are dependent upon the basicity of the nitrogen compound within a given compound class. These effects correspond closely with those produced in a Jet A fuel. Removal of highly polar fuel components renders the nitrogen compound influence inoperative. These components are therefore participants in deposit-forming reactions.

  6. Fabric-based alkaline direct formate microfluidic fuel cells.

    PubMed

    Domalaon, Kryls; Tang, Catherine; Mendez, Alex; Bernal, Franky; Purohit, Krutarth; Pham, Linda; Haan, John; Gomez, Frank A

    2017-04-01

    Fabric-based microfluidic fuel cells (MFCs) serve as a novel, cost-efficient alternative to traditional FCs and batteries, since fluids naturally travel across fabric via capillary action, eliminating the need for an external pump and lowering production and operation costs. Building on previous research with Y-shaped paper-based MFCs, fabric-based MFCs mitigate fragility and durability issues caused by long periods of fuel immersion. In this study, we describe a microfluidic fabric-based direct formate fuel cell, with 5 M potassium formate and 30% hydrogen peroxide as the anode fuel and cathode oxidant, respectively. Using a two-strip, stacked design, the optimized parameters include the type of encasement, the barrier, and the fabric type. Surface contact of the fabric and laminate sheet expedited flow and respective chemical reactions. The maximum current (22.83 mA/cm 2 ) and power (4.40 mW/cm 2 ) densities achieved with a 65% cotton/35% polyester blend material are a respective 8.7% and 32% higher than previous studies with Y-shaped paper-based MFCs. In series configuration, the MFCs generate sufficient energy to power a handheld calculator, a thermometer, and a spectrum of light-emitting diodes. © 2017 WILEY-VCH Verlag GmbH & Co. KGaA, Weinheim.

  7. Fuel-rich catalytic combustion of Jet-A fuel-equivalence ratios 5.0 to 8.0

    NASA Technical Reports Server (NTRS)

    Brabbs, Theodore A.; Gracia-Salcedo, Carmen M.

    1989-01-01

    Fuel-rich catalytic combustion (E.R. greater than 5.0) is a unique technique for preheating a hydrocarbon fuel to temperatures much higher than those obtained by conventional heat exchangers. In addition to producing very reactive molecules, the process upgrades the structure of the fuel by the formation of hydrogen and smaller hydrocarbons and produces a cleaner burning fuel by removing some of the fuel carbon from the soot formation chain. With fuel-rich catalytic combustion as the first stage of a two stage combustion system, enhanced fuel properties can be utilized by both high speed engines, where time for ignition and complete combustion is limited, and engines where emission of thermal NO sub x is critical. Two-stage combustion (rich-lean) has been shown to be effective for NO sub x reduction in stationary burners where residence times are long enough to burn-up the soot formed in the first stage. Such residence times are not available in aircraft engines. Thus, the soot-free nature of the present process is critical for high speed engines. The successful application of fuel-rich catalytic combustion to Jet-A, a multicomponent fuel used in gas turbine combustors, is discusssed.

  8. Spent fuel measurements. passive neutron albedo reactivity (PNAR) and photon signatures

    DOE Office of Scientific and Technical Information (OSTI.GOV)

    Eigenbrodt, Julia; Menlove, Howard Olsen

    2016-03-29

    The International Atomic Energy Agency’s (IAEA) safeguards technical objective is the timely detection of a diversion of a significant quantity of nuclear material from peaceful activities to the manufacture of nuclear weapons or of other nuclear explosive devices or for purposes unknown, and deterrence of such diversion by the risk of early detection. An important IAEA task towards meeting this objective is the ability to accurately and reliably measure spent nuclear fuel (SNF) to verify reactor operating parameters and verify that the fuel has not been removed from reactors or SNF storage facilities. This dissertation analyzes a method to improvemore » the state-of-the-art of nuclear material safeguards measurements using two combined measurement techniques: passive neutron albedo reactivity (PNAR) and passive spectral photon measurements.« less

  9. String cavitation formation inside fuel injectors

    NASA Astrophysics Data System (ADS)

    Reid, B. A.; Gavaises, M.; Mitroglou, N.; Hargrave, G. K.; Garner, C. P.; McDavid, R. M.

    2015-12-01

    The formation of vortex or ‘string’ cavitation has been visualised at pressures up to 2000 bar in an automotive-sized optical diesel fuel injector nozzle. The multi-hole nozzle geometry studied allowed observation of the hole-to-hole vortex interaction and, in particular, that of a bridging vortex in the sac region between the holes. Above a threshold Reynolds number, their formation and appearance during a 2 ms injection event was repeatable and independent of upstream pressure and cavitation number. In addition, two different hole layouts and threedimensional flow simulations have been employed to describe how, the relative positions of adjacent holes influenced the formation and hole-to-hole interaction of the observed string cavitation vortices, with good agreement between the experimental and simulation results being achieved.

  10. Liquid phase products and solid deposit formation from thermally stressed model jet fuels

    NASA Technical Reports Server (NTRS)

    Kim, W. S.; Bittker, D. A.

    1984-01-01

    The relationship between solid deposit formation and liquid degradation product concentration was studied for the high temperature (400 C) stressing of three hydrocarbon model fuels. A Jet Fuel Thermal Oxidation Tester was used to simulate actual engine fuel system conditions. The effects of fuel type, dissolved oxygen concentration, and hot surface contact time (reaction time) were studied. Effects of reaction time and removal of dissolved oxygen on deposit formation were found to be different for n-dodecane and for 2-ethylnaphthalene. When ten percent tetralin is added to n-dodecane to give a simpler model of an actual jet fuel, the tetralin inhibits both the deposit formation and the degradation of n-dodecane. For 2-ethylnaphthalene primary product analyses indicate a possible self-inhibition at long reaction times of the secondary reactions which form the deposit precursors. The mechanism of the primary breakdown of these fuels is suggested and the primary products which participate in these precursor-forming reactions are identified. Some implications of the results to the thermal degradation of real jet fuels are given.

  11. Gum and deposit formation from jet-turbine and diesel fuels at 130C

    DOE Office of Scientific and Technical Information (OSTI.GOV)

    Mayo, F.R.; Lan, Bosco Y.

    1986-01-01

    The ultimate objective of this work is to devise an accelerated test to compare rates of soluble gum and deposit formation from jet-turbine and diesel fuels in storage and of hard deposits in engines. This paper describes rates of oxygen absorption and gum formation in air at 130 C. For a single fuel or hydrocarbon, the rate of gum formation is closely proportional to the oxygen absorbed, even when this rate varies with purification and additives. In general, pure hydrocarbons absorb oxygen much faster than the fuels, but the fuels and 2-ethylnaphthalene give more gum for the oxygen absorbed thanmore » the other pure hydrocarbons. Gum has two main sources; one appears to be associated with the chain termination mechanism in oxidation, the other coupling of fuel molecules in the absence of oxygen. Other possibilities are discussed.« less

  12. Cinnamon bark proanthocyanidins as reactive carbonyl scavengers to prevent the formation of advanced glycation endproducts.

    PubMed

    Peng, Xiaofang; Cheng, Ka-Wing; Ma, Jinyu; Chen, Bo; Ho, Chi-Tang; Lo, Clive; Chen, Feng; Wang, Mingfu

    2008-03-26

    Cinnamon bark has been reported to be effective in the alleviation of diabetes through its antioxidant and insulin-potentiating activities. In this study, the inhibitory effect of cinnamon bark on the formation of advanced glycation endproducts (AGEs) was investigated in a bovine serum albumin (BSA)-glucose model. Several phenolic compounds, such as catechin, epicatechin, and procyanidin B2, and phenol polymers were identified from the subfractions of aqueous cinnamon extract. These compounds showed significant inhibitory effects on the formation of AGEs. Their antiglycation activities were not only brought about by their antioxidant activities but also related to their trapping abilities of reactive carbonyl species such as methylglyoxal (MGO), an intermediate reactive carbonyl of AGE formation. Preliminary study on the reaction between MGO and procyanidin B2 revealed that MGO-procyanidin B2 adducts are primary products which are supposed to be stereoisomers. This is the first report that proanthocyanidins can effectively scavenge reactive carbonyl species and thus inhibit the formation of AGEs. As proanthocyanidins behave in a similar fashion as aminoguanidine (AG), the first AGE inhibitor explored in clinical trials, they show great potential to be developed as agents to alleviate diabetic complications.

  13. Gum and deposit formation from jet-turbine and diesel fuels at 100 C

    DOE Office of Scientific and Technical Information (OSTI.GOV)

    Mayo, F.R.; Lan, B.Y.

    1987-01-01

    Rates of oxidation and gum formation for six hydrocarbons, three jet-turbine fuels and three diesel fuels have been measured at 100 C in the presence of t-Bu2O2 tert-butyl-peroxide as initiator. Four of six fuels oxidize faster at 100 C than in previous work at 130 C with initiator. Four any single substrate, the amount of gum produced for the oxygen absorbed is similar at 100 and 130 C even with large changes in rates and t-Bu2O2 concentrations. Thus, one mechanism of gum formation is intimately associated with oxidation. The effects of t-Bu2O2 concentration on the rates of oxygen absorption andmore » gum formation show that gum formation is associated with chain termination by two peroxy radicals. In general, the pure hydrocarbons have long kinetic chains and give good yields of hydroperoxides. The fuels give short kinetic chains and produce little hydroperoxide but but much more gum formation is the coupling of substrates by peroxides in the absence of oxygen. The mechanism, condensation of oxidation products from alkylnaphthalenes, is also proposed.« less

  14. Catalytic autothermal reforming increases fuel cell flexibility

    NASA Technical Reports Server (NTRS)

    Flytzani-Stephanopoulos, M.; Voecks, G. E.

    1981-01-01

    Experimental results are presented for the autothermal reforming (ATR) of n-hexane, n-tetradecane, benzene and benzene solutions of naphthalene. The tests were run at atmospheric pressure and at moderately high reactant preheat temperatures in the 800-900 K range. Carbon formation lines were determined for paraffinic and aromatic liquids. Profiles were determined for axial bed temperature and composition. Space velocity efforts were assessed, and the locations and types of carbon were recorded. Significant reactive differences between hydrocarbons were identified. Carbon formation characteristics were hydrocarbon specific. The differing behavior of paraffinic and aromatic fuels with respect to their carbon formation may be important in explaining the narrow range of carbon-free operating conditions found in the ATR of number two fuel oil.

  15. Thromboxane Formation Assay to Identify High On-Treatment Platelet Reactivity to Aspirin.

    PubMed

    Mohring, Annemarie; Piayda, Kerstin; Dannenberg, Lisa; Zako, Saif; Schneider, Theresa; Bartkowski, Kirsten; Levkau, Bodo; Zeus, Tobias; Kelm, Malte; Hohlfeld, Thomas; Polzin, Amin

    2017-01-01

    Platelet inhibition by aspirin is indispensable in the secondary prevention of cardiovascular events. Nevertheless, impaired aspirin antiplatelet effects (high on-treatment platelet reactivity [HTPR]) are frequent. This is associated with an enhanced risk of cardiovascular events. The current gold standard to evaluate platelet hyper-reactivity despite aspirin intake is the light-transmittance aggregometry (LTA). However, pharmacologically, the most specific test is the measurement of arachidonic acid (AA)-induced thromboxane (TX) B2 formation. Currently, the optimal cut-off to define HTPR to aspirin by inhibition of TX formation is not known. Therefore, in this pilot study, we aimed to calculate a TX formation cut-off value to detect HTPR defined by the current gold standard LTA. We measured platelet function in 2,507 samples. AA-induced TX formation by ELISA and AA-induced LTA were used to measure aspirin antiplatelet effects. TX formation correlated nonlinearly with the maximum of aggregation in the AA-induced LTA (Spearman's rho R = 0.7396; 95% CI 0.7208-0.7573, p < 0.0001). Receiver operating characteristic analysis and Youden's J statistics revealed 209.8 ng/mL as the optimal cut-off value to detect HTPR to aspirin with the TX ELISA (area under the curve: 0.92, p < 0.0001, sensitivity of 82.7%, specificity of 90.3%). In summary, TX formation ELISA is reliable in detecting HTPR to aspirin. The calculated cut-off level needs to be tested in trials with clinical end points. © 2017 S. Karger AG, Basel.

  16. Real-world emissions and calculated reactivities of organic species from motor vehicles

    NASA Astrophysics Data System (ADS)

    Sagebiel, John C.; Zielinska, Barbara; Pierson, William R.; Gertler, Alan W.

    To obtain real-world motor vehicle emission rates for the hydrocarbon ozone precursors, a series of experiments was conducted in the Fort McHenry Tunnel, Baltimore, Maryland and in the Tuscarora Mountain Tunnel, Pennsylvania. Air samples collected in the tunnels were analyzed for approximately 200 non-methane hydrocarbon (NMHC) species up to C 20, and formaldehyde. Emission rates were determined from tunnel inlet and outlet fluxes. Traffic composition analysis allowed emissions to be split into light-duty (LD; mostly spark-ignition) and heavy-duty (HD; mostly diesel) contributions. LD emissions of NMHC at Tuscarora were 293 mg/veh-mile, with paraflins constituting 35%, olefins 23%, aromatics 42%, and 6 mg/veh-mile of formaldehyde. At Fort McHenry, LD hydrocarbon emissions were 615 mg/veh-mile, with 38% paraffins, 18% olefins, and 44% aromatics, and 7 mg/veh-mile of formaldehyde. In both tunnels, HD emissions were approximately double LD emissions, but with higher percent paraffins, lower percent olefins, and an order of magnitude more formaldehyde. Through use of reactivity adjustment factors, the reactivity of the NMHC emissions with respect to ozone formation was assessed. Reactivity followed emissions, with HD emissions approximately twice the reactivity of LD emissions (on a per vehicle-mile basis). The mass specific reactivity (g-O 3/g-emission) was nearly constant among all vehicles. The effect of grade (assessed at Fort McHenry) was approximately a factor of 2 for both emissions and reactivity. However, since fuel-specific emissions (g-emission/gallon fuel consumed for LD and HD vehicles were nearly independent of grade at Fort McHenry, the fuel-specific ozone reactivity (g-O 3/gallon fuel consumed) was also nearly constant over the down- and up-grades.

  17. Formation of Reactive Br Species by Freezing in Solutions of NaBr-Metal-Hydrogen Peroxide

    NASA Astrophysics Data System (ADS)

    Kinjo, M.; Arakaki, T.

    2005-12-01

    The role of reactive halogen species (e.g. BrOH) in the destruction of stratospheric ozone is well known and largely understood. In recent years, it became clear that reactive Br species can also play a significant role in tropospheric ozone destruction, but sources of reactive Br species in the troposphere are not well understood. When an aqueous solution is frozen, solutes in the solution are excluded from the ice phase and the solutes are concentrated in the solution phase. Freezing processes cause red-ox reactions in the solution. We tried to understand the effects of freezing processes of solutions on formation of reactive Br species. Hydrogen peroxide (HOOH) and metallic ions were added to a mixing solution of NaBr and allyl alcohol (AA). If reactive Br species are formed, they react with AA, and free Br ion concentration decreases in the solution. When HOOH and Fe(III) or Cu(II) were added to the NaBr and AA solution and frozen, free Br ion concentration decreased. It is possible that OH radical formation from reaction between HOOH and Fe(II) or Cu(I) was induced by freezing processes and the OH radical probably oxidized Br ion to reactive Br species. Study of the effects of pH showed that decrease of Br ion concentration was the highest at pH = 4.0. Freezing processes could be an important source of reactive Br species in high altitude clouds and Polar Regions.

  18. In situ formation of magnetite reactive barriers in soil for waste stabilization

    DOEpatents

    Moore, Robert C.

    2003-01-01

    Reactive barriers containing magnetite and methods for making magnetite reactive barriers in situ in soil for sequestering soil contaminants including actinides and heavy metals, organic materials, iodine and technetium are disclosed. According to one embodiment, a two-step reagent introduction into soil takes place. In the first step, free oxygen is removed from the soil by separately injecting into the soil aqueous solutions of iron (II) salt, for example FeCl.sub.2, and base, for example NaOH or NH.sub.3 in about a 1:1 volume ratio. Then, in the second step, similar reagents are injected a second time (however, according to about a 1:2 volume ratio, iron to salt) to form magnetite. The magnetite formation is facilitated, in part, due to slow intrusion of oxygen into the soil from the surface. The invention techniques are suited to injection of reagents into soil in proximity to a contamination plume or source allowing in situ formation of the reactive barrier at the location of waste or hazardous material. Mixing of reagents to form. precipitate is mediated and enhanced through movement of reagents in soil as a result of phenomena including capillary action, movement of groundwater, soil washing and reagent injection pressure.

  19. Oxidation and gum formation in diesel fuels. Interim technical report, May-December 1985

    DOE Office of Scientific and Technical Information (OSTI.GOV)

    Mayo, F.R.

    1985-12-20

    This Report describes experiments on oxidation and gum formation from n-dodecane, tetralin, and several diesel fuels at 43, 60, and 100 C, with and without added initiators, t-butyl peroxide and 2,2'azobis(2-methylpropionitrile) (ABN). Experiments on gum determination and a manuscript for publication, Gum and Deposit Formation from Jet Turbine and Diesel Fuels at 100 C, are included. One objective of work on this Contract is to relate oxidations of diesel fuels at 100 and 130 C, where experiments can be performed in hours or days, to standard tests for fuel stability at ambient temperatures and 43.3 C (110 F), which requiremore » many weeks. A second objective is to devise a fast test for fuel stability.« less

  20. Chemical Characterization and Reactivity Testing of Fuel-Oxidizer Reaction Product (Test Report)

    NASA Technical Reports Server (NTRS)

    1996-01-01

    The product of incomplete reaction of monomethylhydrazine (MMH) and nitrogen tetroxide (NTO) propellants, or fuel-oxidizer reaction product (FORP), has been hypothesized as a contributory cause of an anomaly which occurred in the chamber pressure (PC) transducer tube on the Reaction Control Subsystem (RCS) aft thruster 467 on flight STS-51. A small hole was found in the titanium-alloy PC tube at the first bend below the pressure transducer. It was surmised that the hole may have been caused by heat and pressure resulting from ignition of FORP. The NASA Johnson Space Center (JSC) White Sands Test Facility (WSTF) was requested to define the chemical characteristics of FORP, characterize its reactivity, and simulate the events in a controlled environment which may have lead to the Pc-tube failure. Samples of FORP were obtained from the gas-phase reaction of MMH with NTO under laboratory conditions, the pulsed firings of RCS thrusters with modified PC tubes using varied oxidizer or fuel lead times, and the nominal RCS thruster firings at WSTF and Kaiser-Marquardt. Fourier transform infrared spectroscopy (FTIR), differential scanning calorimetry (DSC), accelerating rate calorimetry (ARC), ion chromatography (IC), inductively coupled plasma (ICP) spectrometry, thermogravimetric analysis (TGA) coupled to FTIR (TGA/FTIR), and mechanical impact testing were used to qualitatively and quantitatively characterize the chemical, thermal, and ignition properties of FORP. These studies showed that the composition of FORP is variable but falls within a limited range of compositions that depends on the fuel loxidizer ratio at the time of formation, composition of the post-formation atmosphere (reducing or oxidizing), and reaction or postreaction temperature. A typical composition contains methylhydrazinium nitrate (MMHN), ammonium nitrate (AN), methylammonium nitrate (MAN), and trace amounts of hydrazinium nitrate and 1,1-dimethylhydrazinium nitrate. The thermal decomposition

  1. An improved alkaline direct formate paper microfluidic fuel cell.

    PubMed

    Galvan, Vicente; Domalaon, Kryls; Tang, Catherine; Sotez, Samantha; Mendez, Alex; Jalali-Heravi, Mehdi; Purohit, Krutarth; Pham, Linda; Haan, John; Gomez, Frank A

    2016-02-01

    Paper-based microfluidic fuel cells (MFCs) are a potential replacement for traditional FCs and batteries due to their low cost, portability, and simplicity to operate. In MFCs, separate solutions of fuel and oxidant migrate through paper due to capillary action and laminar flow and, upon contact with each other and catalyst, produce electricity. In the present work, we describe an improved microfluidic paper-based direct formate FC (DFFC) employing formate and hydrogen peroxide as the anode fuel and cathode oxidant, respectively. The dimensions of the lateral column, current collectors, and cathode were optimized. A maximum power density of 2.53 mW/cm(2) was achieved with a DFFC of surface area 3.0 cm(2) , steel mesh as current collector, 5% carbon to paint mass ratio for cathode electrode and, 30% hydrogen peroxide. The longevity of the MFC's detailed herein is greater than eight hours with continuous flow of streams. In a series configuration, the MFCs generate sufficient energy to power light-emitting diodes and a handheld calculator. © 2015 WILEY-VCH Verlag GmbH & Co. KGaA, Weinheim.

  2. Incremental Reactivity Effects on Secondary Organic Aerosol Formation in Urban Atmospheres with and without Biogenic Influence

    NASA Astrophysics Data System (ADS)

    Kacarab, Mary; Li, Lijie; Carter, William P. L.; Cocker, David R., III

    2016-04-01

    Two different surrogate mixtures of anthropogenic and biogenic volatile organic compounds (VOCs) were developed to study secondary organic aerosol (SOA) formation at atmospheric reactivities similar to urban regions with varying biogenic influence levels. Environmental chamber simulations were designed to enable the study of the incremental aerosol formation from select anthropogenic (m-Xylene, 1,2,4-Trimethylbenzene, and 1-Methylnaphthalene) and biogenic (α-pinene) precursors under the chemical reactivity set by the two different surrogate mixtures. The surrogate reactive organic gas (ROG) mixtures were based on that used to develop the maximum incremental reactivity (MIR) factors for evaluation of O3 forming potential. Multiple incremental aerosol formation experiments were performed in the University of California Riverside (UCR) College of Engineering Center for Environmental Research and Technology (CE-CERT) dual 90m3 environmental chambers. Incremental aerosol yields were determined for each of the VOCs studied and compared to yields found from single precursor studies. Aerosol physical properties of density, volatility, and hygroscopicity were monitored throughout experiments. Bulk elemental chemical composition from high-resolution time of flight aerosol mass spectrometer (HR-ToF-AMS) data will also be presented. Incremental yields and SOA chemical and physical characteristics will be compared with data from previous single VOC studies conducted for these aerosol precursors following traditional VOC/NOx chamber experiments. Evaluation of the incremental effects of VOCs on SOA formation and properties are paramount in evaluating how to best extrapolate environmental chamber observations to the ambient atmosphere and provides useful insights into current SOA formation models. Further, the comparison of incremental SOA from VOCs in varying surrogate urban atmospheres (with and without strong biogenic influence) allows for a unique perspective on the impacts

  3. Chemical Reactivity Testing for the National Spent Nuclear Fuel Program. Quality Assurance Project Plan

    DOE Office of Scientific and Technical Information (OSTI.GOV)

    Newsom, H.C.

    This quality assurance project plan (QAPjP) summarizes requirements used by Lockheed Martin Energy Systems, Incorporated (LMES) Development Division at Y-12 for conducting chemical reactivity testing of Department of Energy (DOE) owned spent nuclear fuel, sponsored by the National Spent Nuclear Fuel Program (NSNFP). The requirements are based on the NSNFP Statement of Work PRO-007 (Statement of Work for Laboratory Determination of Uranium Hydride Oxidation Reaction Kinetics.) This QAPjP will utilize the quality assurance program at Y-12, QA-101PD, revision 1, and existing implementing procedures for the most part in meeting the NSNFP Statement of Work PRO-007 requirements, exceptions will be noted.

  4. Chemical Characterization and Reactivity of Fuel-Oxidizer Reaction Product

    NASA Technical Reports Server (NTRS)

    David, Dennis D.; Dee, Louis A.; Beeson, Harold D.

    1997-01-01

    Fuel-oxidizer reaction product (FORP), the product of incomplete reaction of monomethylhydrazine and nitrogen tetroxide propellants prepared under laboratory conditions and from firings of Shuttle Reaction Control System thrusters, has been characterized by chemical and thermal analysis. The composition of FORP is variable but falls within a limited range of compositions that depend on three factors: the fuel-oxidizer ratio at the time of formation; whether the composition of the post-formation atmosphere is reducing or oxidizing; and the reaction or post-reaction temperature. A typical composition contains methylhydrazinium nitrate, ammonium nitrate, methylammonium nitrate, and trace amounts of hydrazinium nitrate and 1,1-dimethylhydrazinium nitrate. Thermal decomposition reactions of the FORP compositions used in this study were unremarkable. Neither the various compositions of FORP, the pure major components of FORP, nor mixtures of FORP with propellant system corrosion products showed any unusual thermal activity when decomposed under laboratory conditions. Off-limit thruster operations were simulated by rapid mixing of liquid monomethylhydrazine and liquid nitrogen tetroxide in a confined space. These tests demonstrated that monomethylhydrazine, methylhydrazinium nitrate, ammonium nitrate, or Inconel corrosion products can induce a mixture of monomethylhydrazine and nitrogen tetroxide to produce component-damaging energies. Damaging events required FORP or metal salts to be present at the initial mixing of monomethylhydrazine and nitrogen tetroxide.

  5. Isolating the effects of reactivity stratification in reactivity-controlled compression ignition with iso-octane and n-heptane on a light-duty multi-cylinder engine

    DOE Office of Scientific and Technical Information (OSTI.GOV)

    Wissink, Martin L.; Curran, Scott J.; Roberts, Greg

    Reactivity-controlled compression ignition (RCCI) is a dual-fuel variant of low-temperature combustion that uses in-cylinder fuel stratification to control the rate of reactions occurring during combustion. Using fuels of varying reactivity (autoignition propensity), gradients of reactivity can be established within the charge, allowing for control over combustion phasing and duration for high efficiency while achieving low NO x and soot emissions. In practice, this is typically accomplished by premixing a low-reactivity fuel, such as gasoline, with early port or direct injection, and by direct injecting a high-reactivity fuel, such as diesel, at an intermediate timing before top dead center. Both themore » relative quantity and the timing of the injection(s) of high-reactivity fuel can be used to tailor the combustion process and thereby the efficiency and emissions under RCCI. While many combinations of high- and low-reactivity fuels have been successfully demonstrated to enable RCCI, there is a lack of fundamental understanding of what properties, chemical or physical, are most important or desirable for extending operation to both lower and higher loads and reducing emissions of unreacted fuel and CO. This is partly due to the fact that important variables such as temperature, equivalence ratio, and reactivity change simultaneously in both a local and a global sense with changes in the injection of the high-reactivity fuel. This study uses primary reference fuels iso-octane and n-heptane, which have similar physical properties but much different autoignition properties, to create both external and in-cylinder fuel blends that allow for the effects of reactivity stratification to be isolated and quantified. This study is part of a collaborative effort with researchers at Sandia National Laboratories who are investigating the same fuels and conditions of interest in an optical engine. Furthermore, this collaboration aims to improve our fundamental understanding

  6. Isolating the effects of reactivity stratification in reactivity-controlled compression ignition with iso-octane and n-heptane on a light-duty multi-cylinder engine

    DOE PAGES

    Wissink, Martin L.; Curran, Scott J.; Roberts, Greg; ...

    2017-10-09

    Reactivity-controlled compression ignition (RCCI) is a dual-fuel variant of low-temperature combustion that uses in-cylinder fuel stratification to control the rate of reactions occurring during combustion. Using fuels of varying reactivity (autoignition propensity), gradients of reactivity can be established within the charge, allowing for control over combustion phasing and duration for high efficiency while achieving low NO x and soot emissions. In practice, this is typically accomplished by premixing a low-reactivity fuel, such as gasoline, with early port or direct injection, and by direct injecting a high-reactivity fuel, such as diesel, at an intermediate timing before top dead center. Both themore » relative quantity and the timing of the injection(s) of high-reactivity fuel can be used to tailor the combustion process and thereby the efficiency and emissions under RCCI. While many combinations of high- and low-reactivity fuels have been successfully demonstrated to enable RCCI, there is a lack of fundamental understanding of what properties, chemical or physical, are most important or desirable for extending operation to both lower and higher loads and reducing emissions of unreacted fuel and CO. This is partly due to the fact that important variables such as temperature, equivalence ratio, and reactivity change simultaneously in both a local and a global sense with changes in the injection of the high-reactivity fuel. This study uses primary reference fuels iso-octane and n-heptane, which have similar physical properties but much different autoignition properties, to create both external and in-cylinder fuel blends that allow for the effects of reactivity stratification to be isolated and quantified. This study is part of a collaborative effort with researchers at Sandia National Laboratories who are investigating the same fuels and conditions of interest in an optical engine. Furthermore, this collaboration aims to improve our fundamental understanding

  7. Formation of iron nanoparticles and increase in iron reactivity in mineral dust during simulated cloud processing.

    PubMed

    Shi, Zongbo; Krom, Michael D; Bonneville, Steeve; Baker, Alex R; Jickells, Timothy D; Benning, Liane G

    2009-09-01

    The formation of iron (Fe) nanoperticles and increase in Fe reactivity in mineral dust during simulated cloud processing was investigated using high-resolution microscopy and chemical extraction methods. Cloud processing of dust was experimentally simulated via an alternation of acidic (pH 2) and circumneutral conditions (pH 5-6) over periods of 24 h each on presieved (<20 microm) Saharan soil and goethite suspensions. Microscopic analyses of the processed soil and goethite samples reveal the neo-formation of Fe-rich nanoparticle aggregates, which were not found initially. Similar Fe-rich nanoparticles were also observed in wet-deposited Saharen dusts from the western Mediterranean but not in dry-deposited dust from the eastern Mediterranean. Sequential Fe extraction of the soil samples indicated an increase in the proportion of chemically reactive Fe extractable by an ascorbate solution after simulated cloud processing. In addition, the sequential extractions on the Mediterranean dust samples revealed a higher content of reactive Fe in the wet-deposited dust compared to that of the dry-deposited dust These results suggestthat large variations of pH commonly reported in aerosol and cloud waters can trigger neo-formation of nanosize Fe particles and an increase in Fe reactivity in the dust

  8. On the formation of string cavitation inside fuel injectors

    NASA Astrophysics Data System (ADS)

    Reid, B. A.; Gavaises, M.; Mitroglou, N.; Hargrave, G. K.; Garner, C. P.; Long, E. J.; McDavid, R. M.

    2014-01-01

    The formation of vortex or `string' cavitation has been visualised in the flow upstream of the injection hole inlet of an automotive-sized optical diesel fuel injector nozzle operating at pressures up to 2,000 bar. Three different nozzle geometries and three-dimensional flow simulations have been employed to describe how, for two adjacent nozzle holes, their relative positions influenced the formation and hole-to-hole interaction of the observed string cavitation vortices. Each hole was shown to contain two counter-rotating vortices: the first extending upstream on axis with the nozzle hole into the nozzle sac volume and the second forming a single `bridging' string linked to the adjacent hole. Steady-state and transient fuel injection conditions were shown to produce significantly different nozzle-flow characteristics with regard to the formation and interaction of these vortices in the geometries tested, with good agreement between the experimental and simulation results being achieved. The study further confirms that the visualised vortices do not cavitate themselves but act as carriers of gas-phase components within the injector flow.

  9. Reactivating the Ni-YSZ electrode in solid oxide cells and stacks by infiltration

    NASA Astrophysics Data System (ADS)

    Skafte, Theis Løye; Hjelm, Johan; Blennow, Peter; Graves, Christopher

    2018-02-01

    The solid oxide cell (SOC) could play a vital role in energy storage when the share of intermittent electricity production is high. However, large-scale commercialization of the technology is still hindered by the limited lifetime. Here, we address this issue by examining the potential for repairing various failure and degradation mechanisms occurring in the fuel electrode, thereby extending the potential lifetime of a SOC system. We successfully infiltrated the nickel and yttria-stabilized zirconia cermet electrode in commercial cells with Gd-doped ceria after operation. By this method we fully reactivated the fuel electrode after simulated reactant starvation and after carbon formation. Furthermore, by infiltrating after 900 h of operation, the degradation of the fuel electrode was reduced by a factor of two over the course of 2300 h. Lastly, the scalability of the concept is demonstrated by reactivating an 8-cell stack based on a commercial design.

  10. Chemical reactivity testing for the National Spent Nuclear Fuel Program. Revision 2

    DOE Office of Scientific and Technical Information (OSTI.GOV)

    Koester, L.W.

    This quality assurance project plan (QAPjP) summarizes requirements used by Lockheed Martin Energy Systems, Incorporated (LMES) Development Division at Y-12 for conducting chemical reactivity testing of Department of Energy (DOE) owned spent nuclear fuel, sponsored by the National Spent Nuclear Fuel Program (NSNFP). The requirements are based on the NSNFP Statement of work PRO-007 (Statement of Work for Laboratory Determination of Uranium Hydride Oxidation Reaction Kinetics.) This QAPjP will utilize the quality assurance program at Y-12, Y60-101PD, Quality Program Description, and existing implementing procedures for the most part in meeting the NSNFP Statement of Work PRO-007 requirements, exceptions will bemore » noted. The project consists of conducting three separate series of related experiments, ''Passivation of Uranium Hydride Powder With Oxygen and Water'', '''Passivation of Uranium Hydride Powder with Surface Characterization'', and ''Electrochemical Measure of Uranium Hydride Corrosion Rate''.« less

  11. Influence of fuel ethanol content on primary emissions and secondary aerosol formation potential for a modern flex-fuel gasoline vehicle

    NASA Astrophysics Data System (ADS)

    Timonen, Hilkka; Karjalainen, Panu; Saukko, Erkka; Saarikoski, Sanna; Aakko-Saksa, Päivi; Simonen, Pauli; Murtonen, Timo; Dal Maso, Miikka; Kuuluvainen, Heino; Bloss, Matthew; Ahlberg, Erik; Svenningsson, Birgitta; Pagels, Joakim; Brune, William H.; Keskinen, Jorma; Worsnop, Douglas R.; Hillamo, Risto; Rönkkö, Topi

    2017-04-01

    The effect of fuel ethanol content (10, 85 and 100 %) on primary emissions and on subsequent secondary aerosol formation was investigated for a Euro 5 flex-fuel gasoline vehicle. Emissions were characterized during a New European Driving Cycle (NEDC) using a comprehensive set-up of high time-resolution instruments. A detailed chemical composition of the exhaust particulate matter (PM) was studied using a soot particle aerosol mass spectrometer (SP-AMS), and secondary aerosol formation was studied using a potential aerosol mass (PAM) chamber. For the primary gaseous compounds, an increase in total hydrocarbon emissions and a decrease in aromatic BTEX (benzene, toluene, ethylbenzene and xylenes) compounds was observed when the amount of ethanol in the fuel increased. In regard to particles, the largest primary particulate matter concentrations and potential for secondary particle formation was measured for the E10 fuel (10 % ethanol). As the ethanol content of the fuel increased, a significant decrease in the average primary particulate matter concentrations over the NEDC was found. The PM emissions were 0.45, 0.25 and 0.15 mg m-3 for E10, E85 and E100, respectively. Similarly, a clear decrease in secondary aerosol formation potential was observed with a larger contribution of ethanol in the fuel. The secondary-to-primary PM ratios were 13.4 and 1.5 for E10 and E85, respectively. For E100, a slight decrease in PM mass was observed after the PAM chamber, indicating that the PM produced by secondary aerosol formation was less than the PM lost through wall losses or the degradation of the primary organic aerosol (POA) in the chamber. For all fuel blends, the formed secondary aerosol consisted mostly of organic compounds. For E10, the contribution of organic compounds containing oxygen increased from 35 %, measured for primary organics, to 62 % after the PAM chamber. For E85, the contribution of organic compounds containing oxygen increased from 42 % (primary) to 57

  12. Nano- to Formation-Scale Estimates of Mineral-Specific Reactive Surface Area

    NASA Astrophysics Data System (ADS)

    Cole, D. R.; Swift, A.; Sheets, J.; Anovitz, L. M.

    2017-12-01

    Predictions of changes in fluid composition, coupled with the evolution of the solid matrix, include the generation and testing of reactive transport models. However, translating a heterogeneous natural system into physical and chemical model parameters, including the critical but poorly-constrained metric of fluid-accessible surface area, continues to challenge Earth scientists. Studies of carbon storage capacity, permeability, rock strain due to mineral dissolution and precipitation, or the prediction of rock evolution through diagenesis and weathering each consider macroscale outcomes of processes that often are critically impacted by rock surface geometry at the nanoscale. The approach taken here is to consider the whole vertical extent of a saline reservoir and then to address two questions. First, what is the accessible surface area for each major mineral, and for all adjacent pore sizes from <2 nm on up, within each major lithofacies in that formation? Second, with the formation thus divided into units of analysis, parameterized, and placed into geologic context, what constraints can be placed on reactive surface area as a function of mineral composition? A complex sandstone covering a substantial fraction of the quartz-K-feldspar-illite ternary is selected and mineral-specific surface area quantified using neutron scattering, nitrogen and mercury porosimetry, multi-signal high-resolution mineral mapping, and other techniques. For neutron scattering, scale-specific pore geometries enable more accurate translation of volume into surface area. By applying this workflow to all end-member lithologies of this reservoir formation, equations and maps of surface area as a function of position on a quartz-feldspar-clay ternary plot are developed for each major mineral. Results from this work therefore advance our ability to parameterize models not just for the particular formation studied, but for similar geologic units as well.

  13. Formation, Migration, and Reactivity of Au CO Complexes on Gold Surfaces

    DOE Office of Scientific and Technical Information (OSTI.GOV)

    Wang, Jun; McEntee, Monica; Tang, Wenjie

    2016-01-12

    Here, we report experimental as well as theoretical evidence that suggests Au CO complex formation upon the exposure of CO to active sites (step edges and threading dislocations) on a Au(111) surface. Room-temperature scanning tunneling microscopy (STM), X-ray photoelectron spectroscopy, transmission infrared spectroscopy, and density functional theory calculations point to Au CO complex formation and migration. Room-temperature STM of the Au(111) surface at CO pressures in the range from 10^ 8 to 10^ 4 Torr (dosage up to 10^6 langmuir) indicates Au atom extraction from dislocation sites of the herringbone reconstruction, mobile Au CO complex formation and diffusion, and Aumore » adatom cluster formation on both elbows and step edges on the Au surface. The formation and mobility of the Au CO complex result from the reduced Au Au bonding at elbows and step edges leading to stronger Au CO bonding and to the formation of a more positively charged CO (CO +) on Au. These studies indicate that the mobile Au CO complex is involved in the Au nanoparticle formation and reactivity, and that the positive charge on CO increases due to the stronger adsorption of CO at Au sites with lower coordination numbers.« less

  14. Performance of Transuranic-Loaded Fully Ceramic Micro-Encapsulated Fuel in LWRs Final Report, Including Void Reactivity Evaluation

    DOE Office of Scientific and Technical Information (OSTI.GOV)

    Michael A. Pope; R. Sonat Sen; Brian Boer

    2011-09-01

    The current focus of the Deep Burn Project is on once-through burning of transuranics (TRU) in light-water reactors (LWRs). The fuel form is called Fully-Ceramic Micro-encapsulated (FCM) fuel, a concept that borrows the tri-isotropic (TRISO) fuel particle design from high-temperature reactor technology. In the Deep Burn LWR (DB-LWR) concept, these fuel particles are pressed into compacts using SiC matrix material and loaded into fuel pins for use in conventional LWRs. The TRU loading comes from the spent fuel of a conventional LWR after 5 years of cooling. Unit cell and assembly calculations have been performed using the DRAGON-4 code tomore » assess the physics attributes of TRU-only FCM fuel in an LWR lattice. Depletion calculations assuming an infinite lattice condition were performed with calculations of various reactivity coefficients performed at each step. Unit cells and assemblies containing typical UO2 and mixed oxide (MOX) fuel were analyzed in the same way to provide a baseline against which to compare the TRU-only FCM fuel. Then, assembly calculations were performed evaluating the performance of heterogeneous arrangements of TRU-only FCM fuel pins along with UO2 pins.« less

  15. Modeling the Pore Formation Mechanism in UMo/AL Dispersion Fuel

    DOE Office of Scientific and Technical Information (OSTI.GOV)

    Kim, Yeon Soo; Jamison, L.; Hofman, G.

    In UMo/Al dispersion fuel meat, pores formed in the ILs or at IL-Al interfaces tend to increase in size with irradiation, potentially limiting performance of this fuel. There has been no universally accepted mechanism for the formation and growth of this type of pore. However, there is a consensus that the stress state determined by meat swelling and fission- induced creep is one of the determinants, and fission gas availability at the pore site is another. Five dispersion RERTR miniplates that have well defined irradiation conditions and PIE data were selected for examination. Meat swelling and pore volume were measuredmore » in each plate. ABAQUS finite element analysis (FEA) package was utilized to obtain the time-dependent evolution of mechanical states in the plates while matching the measured meat swelling and creep. Interpretation of these results give insights on how to model a failure function – a predictor for large pore formation – using variables such as meat swelling, interaction layer growth, stress, and creep. This model can be used for optimizing fuel design parameters to reach the desired goal: meeting high power and performance reactor demand.« less

  16. Temperature feedback of TRIGA MARK-II fuel

    DOE Office of Scientific and Technical Information (OSTI.GOV)

    Usang, M. D., E-mail: mark-dennis@nuclearmalaysia.gov.my; Minhat, M. S.; Rabir, M. H.

    2016-01-22

    We study the amount of temperature feedback on reactivity for the three types of TRIGA fuel i.. ST8, ST12 and LEU fuel, are used in the TRIGA MARK II reactor in Malaysia Nuclear Agency. We employ WIMSD-5B for the calculation of kin f for a single TRIGA fuel surrounded by water. Typical calculations of TRIGA fuel reactivity are usually limited to ST8 fuel, but in this paper our investigation extends to ST12 and LEU fuel. We look at the kin f of our model at various fuel temperatures and calculate the amount reactivity removed. In one instance, the water temperaturemore » is kept at room temperature of 300K to simulate sudden reactivity increase from startup. In another instance, we simulate the sudden temperature increase during normal operation where the water temperature is approximately 320K while observing the kin f at various fuel temperatures. For accidents, two cases are simulated. The first case is for water temperature at 370K and the other is without any water. We observe that the higher Uranium content fuel such as the ST12 and LEU have much smaller contribution to the reactivity in comparison to the often studied ST8 fuel. In fact the negative reactivity coefficient for LEU fuel at high temperature in water is only slightly larger to the negative reactivity coefficient for ST8 fuel in void. The performance of ST8 fuel in terms of negative reactivity coefficient is cut almost by half when it is in void. These results are essential in the safety evaluation of the reactor and should be carefully considered when choices of fuel for core reconfiguration are made.« less

  17. Temperature feedback of TRIGA MARK-II fuel

    NASA Astrophysics Data System (ADS)

    Usang, M. D.; Minhat, M. S.; Rabir, M. H.; M. Rawi M., Z.

    2016-01-01

    We study the amount of temperature feedback on reactivity for the three types of TRIGA fuel i.. ST8, ST12 and LEU fuel, are used in the TRIGA MARK II reactor in Malaysia Nuclear Agency. We employ WIMSD-5B for the calculation of kin f for a single TRIGA fuel surrounded by water. Typical calculations of TRIGA fuel reactivity are usually limited to ST8 fuel, but in this paper our investigation extends to ST12 and LEU fuel. We look at the kin f of our model at various fuel temperatures and calculate the amount reactivity removed. In one instance, the water temperature is kept at room temperature of 300K to simulate sudden reactivity increase from startup. In another instance, we simulate the sudden temperature increase during normal operation where the water temperature is approximately 320K while observing the kin f at various fuel temperatures. For accidents, two cases are simulated. The first case is for water temperature at 370K and the other is without any water. We observe that the higher Uranium content fuel such as the ST12 and LEU have much smaller contribution to the reactivity in comparison to the often studied ST8 fuel. In fact the negative reactivity coefficient for LEU fuel at high temperature in water is only slightly larger to the negative reactivity coefficient for ST8 fuel in void. The performance of ST8 fuel in terms of negative reactivity coefficient is cut almost by half when it is in void. These results are essential in the safety evaluation of the reactor and should be carefully considered when choices of fuel for core reconfiguration are made.

  18. Fracture Reactivation in Chemically Reactive Rock Systems

    NASA Astrophysics Data System (ADS)

    Eichhubl, P.; Hooker, J. N.

    2013-12-01

    Reactivation of existing fractures is a fundamental process of brittle failure that controls the nucleation of earthquake ruptures, propagation and linkage of hydraulic fractures in oil and gas production, and the evolution of fault and fracture networks and thus of fluid and heat transport in the upper crust. At depths below 2-3 km, and frequently shallower, brittle processes of fracture growth, linkage, and reactivation compete with chemical processes of fracture sealing by mineral precipitation, with precipitation rates similar to fracture opening rates. We recently found rates of fracture opening in tectonically quiescent settings of 10-20 μm/m.y., rates similar to euhedral quartz precipitation under these conditions. The tendency of existing partially or completely cemented fractures to reactivate will vary depending on strain rate, mineral precipitation kinetics, strength contrast between host rock and fracture cement, stress conditions, degree of fracture infill, and fracture network geometry. Natural fractures in quartzite of the Cambrian Eriboll Formation, NW Scotland, exhibit a complex history of fracture formation and reactivation, with reactivation involving both repeated crack-seal opening-mode failure and shear failure of fractures that formed in opening mode. Fractures are partially to completely sealed with crack-seal or euhedral quartz cement or quartz cement fragmented by shear reactivation. Degree of cementation controls the tendency of fractures for later shear reactivation, to interact elastically with adjacent open fractures, and their intersection behavior. Using kinematic, dynamic, and diagenetic criteria, we determine the sequence of opening-mode fracture formation and later shear reactivation. We find that sheared fracture systems of similar orientation display spatially varying sense of slip We attribute these inconsistent directions of shear reactivation to 1) a heterogeneous stress field in this highly fractured rock unit and 2

  19. Effects of Fuel Specification and Additives on Soot Formation.

    DTIC Science & Technology

    1983-12-01

    Engine Combustor Emissions," ASME 80-GT-70, 1980. 39. Naegeli , D.W. and Moses, C.A., "Effect of Fuel Molecular Structure on Soot Formation in Gas...Symposium on Combustion, pp. 1175-1183, The Combustion Institute, 1981. 108 41. Naegeli , D.W., Dodge, L.G. and Moses, C.A., "Effect of Flame Temperature

  20. Reactive Tracer Techniques to Quantitatively Monitor Carbon Dioxide Storage in Geologic Formations

    NASA Astrophysics Data System (ADS)

    Matter, J. M.; Carson, C.; Stute, M.; Broecker, W. S.

    2012-12-01

    Injection of CO2 into geologic storage reservoirs induces fluid-rock reactions that may lead to the mineralization of the injected CO2. The long-term safety of geologic CO2 storage is, therefore, determined by in situ CO2-fluid-rock reactions. Currently existing monitoring and verification techniques for CO2 storage are insufficient to characterize the solubility and reactivity of the injected CO2, and to establish a mass balance of the stored CO2. Dissolved and chemically transformed CO2 thus avoid detection. We developed and are testing a new reactive tracer technique for quantitative monitoring and detection of dissolved and chemically transformed CO2 in geologic storage reservoirs. The technique involves tagging the injected carbon with radiocarbon (14C). Carbon-14 is a naturally occurring radioisotope produced by cosmic radiation and made artificially by 14N neutron capture. The ambient concentration is very low with a 14C/12C ratio of 10-12. The concentration of 14C in deep geologic formations and fossil fuels is at least two orders of magnitude lower. This makes 14C an ideal quantitative tracer for tagging underground injections of anthropogenic CO2. We are testing the feasibility of this tracer technique at the CarbFix pilot injection site in Iceland, where approximately 2,000 tons of CO2 dissolved in water are currently injected into a deep basalt aquifer. The injected CO2 is tagged with 14C by dynamically adding calibrated amounts of H14CO3 solution to the injection stream. The target concentration is 12 Bq/kg of injected water, which results in a 14C activity that is 5 times enriched compared to the 1850 background. In addition to 14C as a reactive tracer, trifluormethylsulphur pentafluoride (SF5CF3) and sulfurhexafluoride (SF6) are used as conservative tracers to monitor the transport of the injected CO2 in the subsurface. Fluid samples are collected for tracer analysis from the injection and monitoring wells on a regular basis. Results show a fast

  1. The effect of the composition of plutonium loaded on the reactivity change and the isotopic composition of fuel produced in a fast reactor

    NASA Astrophysics Data System (ADS)

    Blandinskiy, V. Yu.

    2014-12-01

    This paper presents the results of a numerical investigation into burnup and breeding of nuclides in metallic fuel consisting of a mixture of plutonium and depleted uranium in a fast reactor with sodium coolant. The feasibility of using plutonium contained in spent nuclear fuel from domestic thermal reactors and weapons-grade plutonium is discussed. It is shown that the largest production of secondary fuel and the least change in the reactivity over the reactor lifetime can be achieved when employing plutonium contained in spent nuclear fuel from a reactor of the RBMK-1000 type.

  2. Outflow channel sources, reactivation, and chaos formation, Xanthe Terra, Mars

    USGS Publications Warehouse

    Rodriguez, J.A.P.; Sasaki, S.; Kuzmin, R.O.; Dohm, J.M.; Tanaka, K.L.; Miyamoto, H.; Kurita, K.; Komatsu, G.; Fairen, A.G.; Ferris, J.C.

    2005-01-01

    The undulating, warped, and densely fractured surfaces of highland regions east of Valles Marineris (located north of the eastern Aureum Chaos, east of the Hydraotes Chaos, and south of the Hydaspis Chaos) resulted from extensional surface warping related to ground subsidence, caused when pressurized water confined in subterranean caverns was released to the surface. Water emanations formed crater lakes and resulted in channeling episodes involved in the excavation of Ares, Tiu, and Simud Valles of the eastern part of the circum-Chryse outflow channel system. Progressive surface subsidence and associated reduction of the subsurface cavernous volume, and/or episodes of magmatic-driven activity, led to increases of the hydrostatic pressure, resulting in reactivation of both catastrophic and non-catastrophic outflow activity. Ancient cratered highland and basin materials that underwent large-scale subsidence grade into densely fractured terrains. Collapse of rock materials in these regions resulted in the formation of chaotic terrains, which occur in and near the headwaters of the eastern circum-Chryse outflow channels. The deepest chaotic terrain in the Hydaspis Chaos region resulted from the collapse of pre-existing outflow channel floors. The release of volatiles and related collapse may have included water emanations not necessarily linked to catastrophic outflow. Basal warming related to dike intrusions, thermokarst activity involving wet sediments and/or dissected ice-enriched country rock, permafrost exposed to the atmosphere by extensional tectonism and channel incision, and/or the injection of water into porous floor material, may have enhanced outflow channel floor instability and subsequent collapse. In addition to the possible genetic linkage to outflow channel development dating back to at least the Late Noachian, clear disruption of impact craters with pristine ejecta blankets and rims, as well as preservation of fine tectonic fabrics, suggest that

  3. LOX/hydrocarbon fuel carbon formation and mixing data analysis

    NASA Technical Reports Server (NTRS)

    Fang, J.

    1983-01-01

    By applying the Priem-Heidmann Generalized-Length vaporization correlation, the computer model developed by the present study predicts the spatial variation of propellant vaporization rate using the injector cold flow results to define the streamtubes. The calculations show that the overall and local propellant vaporization rate and mixture ratio change drastically as the injection element type or the injector operating condition is changed. These results are compared with the regions of carbon formation observed in the photographic combustion testing. The correlation shows that the fuel vaporization rate and the local mixture ratio produced by the injector element have first order effects on the degree of carbon formation.

  4. Environmental implications of iron fuel borne catalysts and their effects on diesel particulate formation and composition

    EPA Science Inventory

    Metal fuel borne catalysts can be used with diesel fuels to effectively reduce engine out particle mass emissions. Mixed with the fuel, the metals become incorporated as nanometer-scale occlusions with soot during its formation and are available to promote in-cylinder soot oxida...

  5. Fuels and chemicals from equine-waste-derived tail gas reactive pyrolysis oil: technoeconomic analysis, environmental and exergetic life cycle assessment

    USDA-ARS?s Scientific Manuscript database

    Horse manure, whose improper disposal imposes considerable environmental costs, constitutes an apt feedstock for conversion to renewable fuels and chemicals when tail gas reactive pyrolysis (TGRP) is employed. TGRP is a modification of fast pyrolysis that recycles its non-condensable gases and produ...

  6. Gas dynamics of reactive gases in swirling-type furnace

    NASA Astrophysics Data System (ADS)

    Akhmetshina, A. I.; Pavlov, G. I.; Sabirzyanov, A. N.; Tikhonov, O. A.

    2017-09-01

    It is known from the literature that for the complete reaction of two gases (fuel and oxidizer), it is necessary to fulfill three basic conditions: the stoichiometric ratio of reactive gases, qualitative mixing and ensuring the cooling of combustion products without "quenching". Of the above-stated conditions it is more difficult to organize a qualitative mixture formation. This physical process requires additional expenditure of energy flow. In this work we present the results of experimental and theoretical studies of the gas dynamics of a reactive gas mixture in a swirling-type furnace. The design scheme of the furnace includes two reaction zones for combustible components: the first zone is the zone of generation of combustible gases which composition is constant; the second zone of the furnace - zone of a homogeneous combustion reaction.

  7. The contribution of lubricant to the formation of particulate matter with reactivity controlled compression ignition in light-duty diesel engines

    DOE PAGES

    Storey, John Morse; Curran, Scott; Dempsey, Adam B.; ...

    2014-12-25

    Reactivity controlled compression ignition (RCCI) has been shown in single- and multi-cylinder engine research to achieve high thermal efficiencies with ultra-low NO X and soot emissions. The nature of the particulate matter (PM) produced by RCCI operation has been shown in recent research to be different than that of conventional diesel combustion and even diesel low-temperature combustion. Previous research has shown that the PM from RCCI operation contains a large amount of organic material that is volatile and semi-volatile. However, it is unclear if the organic compounds are stemming from fuel or lubricant oil. The PM emissions from dual-fuel RCCImore » were investigated in this study using two engine platforms, with an emphasis on the potential contribution of lubricant. Both engine platforms used the same base General Motors (GM) 1.9-L diesel engine geometry. The first study was conducted on a single-cylinder research engine with primary reference fuels (PRFs), n-heptane, and iso-octane. The second study was conducted on a four-cylinder GM 1.9-L ZDTH engine which was modified with a port fuel injection (PFI) system while maintaining the stock direct injection fuel system. Multi-cylinder RCCI experiments were run with PFI gasoline and direct injection of 2-ethylhexyl nitrate (EHN) mixed with gasoline at 5 % EHN by volume. In addition, comparison cases of conventional diesel combustion (CDC) were performed. Particulate size distributions were measured, and PM filter samples were collected for analysis of lube oil components. Triplicate PM filter samples (i.e., three individual filter samples) for both gas chromatography-mass spectroscopy (GC-MS; organic) analysis and X-ray fluorescence (XRF; metals) were obtained at each operating point and queued for analysis of both organic species and lubricant metals. Here, the results give a clear indication that lubricants do not contribute significantly to the formation of RCCI PM.« less

  8. Reactive Power Compensation Method Considering Minimum Effective Reactive Power Reserve

    NASA Astrophysics Data System (ADS)

    Gong, Yiyu; Zhang, Kai; Pu, Zhang; Li, Xuenan; Zuo, Xianghong; Zhen, Jiao; Sudan, Teng

    2017-05-01

    According to the calculation model of minimum generator reactive power reserve of power system voltage stability under the premise of the guarantee, the reactive power management system with reactive power compensation combined generator, the formation of a multi-objective optimization problem, propose a reactive power reserve is considered the minimum generator reactive power compensation optimization method. This method through the improvement of the objective function and constraint conditions, when the system load growth, relying solely on reactive power generation system can not meet the requirement of safe operation, increase the reactive power reserve to solve the problem of minimum generator reactive power compensation in the case of load node.

  9. Fuel swelling and interaction layer formation in the SELENIUM Si and ZrN coated U(Mo) dispersion fuel plates irradiated at high power in BR2

    NASA Astrophysics Data System (ADS)

    Leenaers, A.; Van den Berghe, S.; Koonen, E.; Kuzminov, V.; Detavernier, C.

    2015-03-01

    In the framework of the SELENIUM project two full size flat fuel plates were produced with respectively Si and ZrN coated U(Mo) particles and irradiated in the BR2 reactor at SCK•CEN. Non-destructive analysis of the plates showed that the fuel swelling profiles of both SELENIUM plates were very similar to each other and none of the plates showed signs of pillowing or excessive swelling at the end of irradiation at the highest power position (local maximum 70% 235U). The microstructural analysis showed that the Si coated fuel has less interaction phase formation at low burn-up but at the highest burn-ups, defects start to develop on the IL-matrix interface. The ZrN coated fuel, shows a virtual absence of reaction between the U(Mo) and the Al, up to high fission densities after which the interaction layer formation starts and defects develop in the matrix near the U(Mo) particles. It was found and is confirmed by the SELENIUM (Surface Engineering of Low ENrIched Uranium-Molybdenum) experiment that there are two phenomena at play that need to be controlled: the formation of an interaction layer and swelling of the fuel. As the interaction layer formation occurs at the U(Mo)-matrix interface, applying a diffusion barrier (coating) at that interface should prevent the interaction between U(Mo) and the matrix. The U(Mo) swelling, observed to proceed at an accelerating rate with respect to fission density accumulation, is governed by linear solid state swelling and fission gas bubble swelling due to recrystallization of the fuel. The examination of the SELENIUM fuel plates clearly show that for the U(Mo) dispersion fuel to be qualified, the swelling rate at high burn-up needs to be reduced.

  10. 40 CFR 600.307-08 - Fuel economy label format requirements.

    Code of Federal Regulations, 2010 CFR

    2010-07-01

    ....210-08(c), located directly above the arrow. (iv) The statement “This Vehicle” directly above the... “This Vehicle” statement, and centered above the bar, in two lines, if needed. (C) For dedicated natural... alternate fuel, in a size and format specified in Appendix V of this part. (c) The city mpg number shall be...

  11. 40 CFR 600.307-08 - Fuel economy label format requirements.

    Code of Federal Regulations, 2011 CFR

    2011-07-01

    ....210-08(c), located directly above the arrow. (iv) The statement “This Vehicle” directly above the... “This Vehicle” statement, and centered above the bar, in two lines, if needed. (C) For dedicated natural... alternate fuel, in a size and format specified in appendix V of this part. (c) The city mpg number shall be...

  12. Extracellular ultrathin fibers sensitive to intracellular reactive oxygen species: Formation of intercellular membrane bridges

    DOE Office of Scientific and Technical Information (OSTI.GOV)

    Jung, Se-Hui; Park, Jin-Young; Joo, Jung-Hoon

    2011-07-15

    Membrane bridges are key cellular structures involved in intercellular communication; however, dynamics for their formation are not well understood. We demonstrated the formation and regulation of novel extracellular ultrathin fibers in NIH3T3 cells using confocal and atomic force microscopy. At adjacent regions of neighboring cells, phorbol 12-myristate 13-acetate (PMA) and glucose oxidase induced ultrathin fiber formation, which was prevented by Trolox, a reactive oxygen species (ROS) scavenger. The height of ROS-sensitive ultrathin fibers ranged from 2 to 4 nm. PMA-induced formation of ultrathin fibers was inhibited by cytochalasin D, but not by Taxol or colchicine, indicating that ultrathin fibers mainlymore » comprise microfilaments. PMA-induced ultrathin fibers underwent dynamic structural changes, resulting in formation of intercellular membrane bridges. Thus, these fibers are formed by a mechanism(s) involving ROS and involved in formation of intercellular membrane bridges. Furthermore, ultrastructural imaging of ultrathin fibers may contribute to understanding the diverse mechanisms of cell-to-cell communication and the intercellular transfer of biomolecules, including proteins and cell organelles.« less

  13. Application of X-Ray Computer Tomography for Observing the Central Void Formations and the Fuel Pin Deformations of Irradiated FBR Fuel Assemblies

    NASA Astrophysics Data System (ADS)

    Katsuyama, Kozo; Nagamine, Tsuyoshi; Furuya, Hirotaka

    2010-10-01

    In order to observe the structural change in the interior of irradiated fuel assemblies, a non-destructive post-irradiation examination (PIE) technique using X-ray computer tomography (X-ray CT) was developed. This X-ray CT technique was applied to observe the central void formations and fuel pin deformations of fuel assemblies which had been irradiated at high linear heat rating. The central void sizes in all fuel pins were measured on five cross sections of the core fuel column as a parameter for evaluating fuel thermal performance. In addition, the fuel pin deformations were analyzed from X-ray CT images obtained along the axial direction of a fuel assembly at the same separation interval. A dependence of void size on the linear heat rating was seen in the fuel assembly irradiated at high linear heat rating. In addition, significant undulations of the fuel pin were observed along the axial direction, coinciding with the wrapping wire pitch in the core fuel column. Application of the developed technique should provide enhanced resolution of measurements and simplify fuel PIEs.

  14. Effect of hydrocarbon fuel type on fuel

    NASA Technical Reports Server (NTRS)

    Wong, E. L.; Bittker, D. A.

    1982-01-01

    A modified jet fuel thermal oxidation tester (JFTOT) procedure was used to evaluate deposit and sediment formation for four pure hydrocarbon fuels over the temperature range 150 to 450 C in 316-stainless-steel heater tubes. Fuel types were a normal alkane, an alkene, a naphthene, and an aromatic. Each fuel exhibited certain distinctive deposit and sediment formation characteristics. The effect of aluminum and 316-stainless-steel heater tube surfaces on deposit formation for the fuel n-decane over the same temperature range was investigated. Results showed that an aluminum surface had lower deposit formation rates at all temperatures investigated. By using a modified JFTOT procedure the thermal stability of four pure hydrocarbon fuels and two practical fuels (Jet A and home heating oil no. 2) was rated on the basis of their breakpoint temperatures. Results indicate that this method could be used to rate thermal stability for a series of fuels.

  15. Analyzing the impact of reactive transport on the repository performance of TRISO fuel

    NASA Astrophysics Data System (ADS)

    Schmidt, Gregory

    graphite surrounding the spent HTGR fuel will impact the release of aqueous uranium from the TRISO fuel. In order to answer this question, the sorption and partitioning behavior of uranium to graphite under a variety of conditions was investigated. Key systematic variables that were analyzed include solution pH, dissolved carbonate concentration, uranium metal concentration and ionic strength. The kinetics and desorption characteristics of uranium/graphite partitioning were studied as well. The graphite used in these experiments was also characterized by a variety of techniques and conclusions are drawn about the relevant surface chemistry of graphite. This data was then used to generate a model for the reactive transport of uranium in a graphite matrix. This model was implemented with the software code CXTFIT and validated through the use of column studies mirroring the predicted system.

  16. The reactivity of natural organic matter to disinfection by-products formation and its relation to specific ultraviolet absorbance.

    PubMed

    Kitis, M; Karanfil, T; Kilduff, J E; Wigton, A

    2001-01-01

    Five natural waters with a broad range of DOC concentrations were fractionated using various coal- and wood-based granular activated carbons (GAC) and alum coagulation. Adsorption and alum coagulation fractionated NOM solutions by preferentially removing components having high specific ultraviolet absorbance (SUVA). UV absorbing fractions of NOM were found to be the major contributors to DBP formation. SUVA appears to be an accurate predictor of reactivity with chlorine in terms of DBP yield; however, it was also found that low-SUVA components of NOM have higher bromine incorporation. SUVA has promise as a parameter for on-line monitoring and control of DBP formation in practical applications; however, the effects of bromide concentration may also need to be considered. Understanding how reactivity is correlated to SUVA may allow utilities to optimize the degree of treatment required to comply with DBP regulations. The reactive components that require removal, and the degree of treatment necessary to accomplish this removal, may be directly obtained from the relationship between SUVA removal and the degree of treatment (e.g., alum dose).

  17. 76 FR 65544 - Standard Format and Content of License Applications for Mixed Oxide Fuel Fabrication Facilities

    Federal Register 2010, 2011, 2012, 2013, 2014

    2011-10-21

    ...The U.S. Nuclear Regulatory Commission (NRC or Commission) is issuing a revision to regulatory guide (RG) 3.39, ``Standard Format and Content of License Applications for Mixed Oxide Fuel Fabrication Facilities.'' This guide endorses the standard format and content for license applications and integrated safety analysis (ISA) summaries described in the current version of NUREG-1718, ``Standard Review Plan for the Review of an Application for a Mixed Oxide (MOX) Fuel Fabrication Facility,'' as a method that the NRC staff finds acceptable for meeting the regulatory requirements of Title 10 of the Code of Federal Regulations (10 CFR) part 70, ``Domestic Licensing of Special Nuclear Material'' for mixed oxide fuel fabrication facilities.

  18. Premixed direct injection nozzle for highly reactive fuels

    DOEpatents

    Ziminsky, Willy Steve; Johnson, Thomas Edward; Lacy, Benjamin Paul; York, William David; Uhm, Jong Ho; Zuo, Baifang

    2013-09-24

    A fuel/air mixing tube for use in a fuel/air mixing tube bundle is provided. The fuel/air mixing tube includes an outer tube wall extending axially along a tube axis between an inlet end and an exit end, the outer tube wall having a thickness extending between an inner tube surface having a inner diameter and an outer tube surface having an outer tube diameter. The tube further includes at least one fuel injection hole having a fuel injection hole diameter extending through the outer tube wall, the fuel injection hole having an injection angle relative to the tube axis. The invention provides good fuel air mixing with low combustion generated NOx and low flow pressure loss translating to a high gas turbine efficiency, that is durable, and resistant to flame holding and flash back.

  19. Fuel Breeding and Core Behavior Analyses on In Core Fuel Management of Water Cooled Thorium Reactors

    DOE Office of Scientific and Technical Information (OSTI.GOV)

    Permana, Sidik; Department of Physics, Bandung Institute of Technology, Gedung Fisika, Jl. Ganesha 10, Bandung 40132; Sekimoto, Hiroshi

    2010-12-23

    Thorium fuel cycle with recycled U-233 has been widely recognized having some contributions to improve the water-cooled breeder reactor program which has been shown by a feasible area of breeding and negative void reactivity which confirms that fissile of 233U contributes to better fuel breeding and effective for obtaining negative void reactivity coefficient as the main fissile material. The present study has the objective to estimate the effect of whole core configuration as well as burnup effects to the reactor core profile by adopting two dimensional model of fuel core management. About more than 40 months of cycle period hasmore » been employed for one cycle fuel irradiation of three batches fuel system for large water cooled thorium reactors. All position of fuel arrangement contributes to the total core conversion ratio which gives conversion ratio less than unity of at the BOC and it contributes to higher than unity (1.01) at the EOC after some irradiation process. Inner part and central part give the important part of breeding contribution with increasing burnup process, while criticality is reduced with increasing the irradiation time. Feasibility of breeding capability of water-cooled thorium reactors for whole core fuel arrangement has confirmed from the obtained conversion ratio which shows higher than unity. Whole core analysis on evaluating reactivity change which is caused by the change of voided condition has been employed for conservative assumption that 100% coolant and moderator are voided. It obtained always a negative void reactivity coefficient during reactor operation which shows relatively more negative void coefficient at BOC (fresh fuel composition), and it becomes less negative void coefficient with increasing the operation time. Negative value of void reactivity coefficient shows the reactor has good safety properties in relation to the reactivity profile which is the main parameter in term of criticality safety analysis. Therefore

  20. Reactive intermediates revealed in secondary organic aerosol formation from isoprene

    PubMed Central

    Surratt, Jason D.; Chan, Arthur W. H.; Eddingsaas, Nathan C.; Chan, ManNin; Loza, Christine L.; Kwan, Alan J.; Hersey, Scott P.; Flagan, Richard C.; Wennberg, Paul O.; Seinfeld, John H.

    2010-01-01

    Isoprene is a significant source of atmospheric organic aerosol; however, the oxidation pathways that lead to secondary organic aerosol (SOA) have remained elusive. Here, we identify the role of two key reactive intermediates, epoxydiols of isoprene (IEPOX = β-IEPOX + δ-IEPOX) and methacryloylperoxynitrate (MPAN), which are formed during isoprene oxidation under low- and high-NOx conditions, respectively. Isoprene low-NOx SOA is enhanced in the presence of acidified sulfate seed aerosol (mass yield 28.6%) over that in the presence of neutral aerosol (mass yield 1.3%). Increased uptake of IEPOX by acid-catalyzed particle-phase reactions is shown to explain this enhancement. Under high-NOx conditions, isoprene SOA formation occurs through oxidation of its second-generation product, MPAN. The similarity of the composition of SOA formed from the photooxidation of MPAN to that formed from isoprene and methacrolein demonstrates the role of MPAN in the formation of isoprene high-NOx SOA. Reactions of IEPOX and MPAN in the presence of anthropogenic pollutants (i.e., acidic aerosol produced from the oxidation of SO2 and NO2, respectively) could be a substantial source of “missing urban SOA” not included in current atmospheric models. PMID:20080572

  1. Nondestrucive analysis of fuel pins

    DOEpatents

    Stepan, I.E.; Allard, N.P.; Suter, C.R.

    1972-11-03

    Disclosure is made of a method and a correspondingly adapted facility for the nondestructive analysis of the concentation of fuel and poison in a nuclear reactor fuel pin. The concentrations of fuel and poison in successive sections along the entire length of the fuel pin are determined by measuring the reactivity of a thermal reactor as each successive small section of the fuel pin is exposed to the neutron flux of the reactor core and comparing the measured reactivity with the reactivities measured for standard fuel pins having various known concentrations. Only a small section of the length of the fuel pin is exposed to the neutron flux at any one time while the remainder of the fuel pin is shielded from the neutron flux. In order to expose only a small section at any one time, a boron-10-lined dry traverse tube is passed through the test region within the core of a low-power thermal nuclear reactor which has a very high fuel sensitivity. A narrow window in the boron-10 lining is positioned at the core center line. The fuel pins are then systematically traversed through the tube past the narrow window such that successive small sections along the length of the fuel pin are exposed to the neutron flux which passes through the narrow window.

  2. Effects of Air-Fuel Spray and Flame Formation in a Compression-Ignition Engine

    NASA Technical Reports Server (NTRS)

    Rothrock, A M; Waldron, C D

    1937-01-01

    High-speed motion pictures were taken at the rate of 2,500 frames per second of the fuel spray and flame formation in the combustion chamber of the NACA combustion apparatus. The compression ratio was 13.2 and the speed 1,500 revolutions per minute. An optical indicator was used to record the time-pressure relationship in the combustion chamber. The air-fuel ratio was varied from 10.4 to 365. The results showed that as the air-fuel ratio was increased definite stratification of the charge occurred in the combustion chamber even though moderate air flow existed. The results also showed the rate of vapor diffusion to be relatively slow.

  3. Combustion characteristics and air pollutant formation during oxy-fuel co-combustion of microalgae and lignite.

    PubMed

    Gao, Yuan; Tahmasebi, Arash; Dou, Jinxiao; Yu, Jianglong

    2016-05-01

    Oxy-fuel combustion of solid fuels is seen as one of the key technologies for carbon capture to reduce greenhouse gas emissions. The combustion characteristics of lignite coal, Chlorella vulgaris microalgae, and their blends under O2/N2 and O2/CO2 conditions were studied using a Thermogravimetric Analyzer-Mass Spectroscopy (TG-MS). During co-combustion of blends, three distinct peaks were observed and were attributed to C. vulgaris volatiles combustion, combustion of lignite, and combustion of microalgae char. Activation energy during combustion was calculated using iso-conventional method. Increasing the microalgae content in the blend resulted in an increase in activation energy for the blends combustion. The emissions of S- and N-species during blend fuel combustion were also investigated. The addition of microalgae to lignite during air combustion resulted in lower CO2, CO, and NO2 yields but enhanced NO, COS, and SO2 formation. During oxy-fuel co-combustion, the addition of microalgae to lignite enhanced the formation of gaseous species. Copyright © 2016 Elsevier Ltd. All rights reserved.

  4. Measuring spent fuel assembly multiplication in borated water with a passive neutron albedo reactivity instrument

    NASA Astrophysics Data System (ADS)

    Tobin, Stephen J.; Peura, Pauli; Bélanger-Champagne, Camille; Moring, Mikael; Dendooven, Peter; Honkamaa, Tapani

    2018-07-01

    The performance of a passive neutron albedo reactivity (PNAR) instrument to measure neutron multiplication of spent nuclear fuel in borated water is investigated as part of an integrated non-destructive assay safeguards system. To measure the PNAR Ratio, which is proportional to the neutron multiplication, the total neutron count rate is measured in high- and low-multiplying environments by the PNAR instrument. The integrated system also contains a load cell and a passive gamma emission tomograph, and as such meets all the recommendations of the IAEA's recent ASTOR Experts Group report. A virtual spent fuel library for VVER-440 fuel was used in conjunction with MCNP simulations of the PNAR instrument to estimate the measurement uncertainties from (1) variation in the water boron content, (2) assembly positioning in the detector and (3) counting statistics. The estimated aggregate measurement uncertainty on the PNAR Ratio measurement is 0.008, to put this uncertainty in context, the difference in the PNAR Ratio between a fully irradiated assembly and this same assembly when fissile isotopes only absorb neutrons, but do not emit neutrons, is 0.106, a 13-sigma effect. The 1-sigma variation of 0.008 in the PNAR Ratio is estimated to correspond to a 3.2 GWd/tU change in assembly burnup.

  5. In vitro evidence for the formation of reactive intermediates of resveratrol in human liver microsomes.

    PubMed

    Steenwyk, R C; Tan, B

    2010-01-01

    Resveratrol (3,4',5-trihydroxystilbene) is a naturally occurring polyphenolic compound found in a variety of foods and over-the-counter health products. It has gained wide public use due to its potential health properties, and is available over-the-counter at health product stores. Although the safety profile of resveratrol has been minimally investigated in humans, resveratrol has been associated with observations of toxicity in vitro, and has been identified as a mechanism-based inhibitor of cytochrome P450 3A4. In addition, resveratrol has been rationally hypothesized to form reactive quinone methide metabolites, despite experimental evidence supporting this assumption. This work evaluates the potential for resveratrol to form glutathione-trapped reactive intermediates in human liver microsomes utilizing liquid chromatography and electrospray tandem mass spectrometry, and has resulted in the identification of several in vitro products including two hydroxylated metabolites (piceatannol and metabolite 2), and two pairs of regioisomeric glutathione adducts. The parallel metabolism of resveratrol to piceatannol and metabolite 2 (a putative quinone methide) are demonstrated to result in the formation of two putative quinone methide intermediates resulting in divergent mechanisms for formation of each pair of regioisomeric glutathione adducts.

  6. Role of dissolved oxygen on the degradation mechanism of Reactive Green 19 and electricity generation in photocatalytic fuel cell.

    PubMed

    Lee, Sin-Li; Ho, Li-Ngee; Ong, Soon-An; Wong, Yee-Shian; Voon, Chun-Hong; Khalik, Wan Fadhilah; Yusoff, Nik Athirah; Nordin, Noradiba

    2018-03-01

    In this study, a membraneless photocatalytic fuel cell with zinc oxide loaded carbon photoanode and platinum loaded carbon cathode was constructed to investigate the impact of dissolved oxygen on the mechanism of dye degradation and electricity generation of photocatalytic fuel cell. The photocatalytic fuel cell with high and low aeration rate, no aeration and nitrogen purged were investigated, respectively. The degradation rate of diazo dye Reactive Green 19 and the electricity generation was enhanced in photocatalytic fuel cell with higher dissolved oxygen concentration. However, the photocatalytic fuel cell was still able to perform 37% of decolorization in a slow rate (k = 0.033 h -1 ) under extremely low dissolved oxygen concentration (approximately 0.2 mg L -1 ) when nitrogen gas was introduced into the fuel cell throughout the 8 h. However, the change of the UV-Vis spectrum indicates that the intermediates of the dye could not be mineralized under insufficient dissolved oxygen level. In the aspect of electricity generation, the maximum short circuit current (0.0041 mA cm -2 ) and power density (0.00028 mW cm -2 ) of the air purged photocatalytic fuel cell was obviously higher than that with nitrogen purging (0.0015 mA cm -2 and 0.00008 mW cm -2 ). Copyright © 2017 Elsevier Ltd. All rights reserved.

  7. Large-Scale Reactive Atomistic Simulation of Shock-induced Initiation Processes in Energetic Materials

    NASA Astrophysics Data System (ADS)

    Thompson, Aidan

    2013-06-01

    Initiation in energetic materials is fundamentally dependent on the interaction between a host of complex chemical and mechanical processes, occurring on scales ranging from intramolecular vibrations through molecular crystal plasticity up to hydrodynamic phenomena at the mesoscale. A variety of methods (e.g. quantum electronic structure methods (QM), non-reactive classical molecular dynamics (MD), mesoscopic continuum mechanics) exist to study processes occurring on each of these scales in isolation, but cannot describe how these processes interact with each other. In contrast, the ReaxFF reactive force field, implemented in the LAMMPS parallel MD code, allows us to routinely perform multimillion-atom reactive MD simulations of shock-induced initiation in a variety of energetic materials. This is done either by explicitly driving a shock-wave through the structure (NEMD) or by imposing thermodynamic constraints on the collective dynamics of the simulation cell e.g. using the Multiscale Shock Technique (MSST). These MD simulations allow us to directly observe how energy is transferred from the shockwave into other processes, including intramolecular vibrational modes, plastic deformation of the crystal, and hydrodynamic jetting at interfaces. These processes in turn cause thermal excitation of chemical bonds leading to initial chemical reactions, and ultimately to exothermic formation of product species. Results will be presented on the application of this approach to several important energetic materials, including pentaerythritol tetranitrate (PETN) and ammonium nitrate/fuel oil (ANFO). In both cases, we validate the ReaxFF parameterizations against QM and experimental data. For PETN, we observe initiation occurring via different chemical pathways, depending on the shock direction. For PETN containing spherical voids, we observe enhanced sensitivity due to jetting, void collapse, and hotspot formation, with sensitivity increasing with void size. For ANFO, we

  8. The Suitable Geological Formations for Spent Fuel Disposal in Romania

    DOE Office of Scientific and Technical Information (OSTI.GOV)

    Marunteanu, C.; Ionita, G.; Durdun, I.

    2007-07-01

    Using the experience in the field of advanced countries and formerly Romanian program data, ANDRAD, the agency responsible for the disposal of radioactive wastes, started the program for spent fuel disposal in deep geological formations with a documentary analysis at the national scale. The potential geological formations properly characterized elsewhere in the world: salt, clay, volcanic tuff, granite and crystalline rocks,. are all present in Romania. Using general or specific selection criteria, we presently consider the following two areas for candidate geological formations: 1. Clay formations in two areas in the western part of Romania: (1) The Pannonian basin Socodormore » - Zarand, where the clay formation is 3000 m thick, with many bentonitic strata and undisturbed structure, and (2) The Eocene Red Clay on the Somes River, extending 1200 m below the surface. They both need a large investigation program in order to establish and select the required homogeneous, dry and undisturbed zones at a suitable depth. 2. Old platform green schist formations, low metamorphosed, quartz and feldspar rich rocks, in the Central Dobrogea structural unit, not far from Cernavoda NPP (30 km average distance), 3000 m thick and including many homogeneous, fine granular, undisturbed, up to 300 m thick layers. (authors)« less

  9. Mechanism of deposit formation on fuel-wetted metal surfaces

    DOE Office of Scientific and Technical Information (OSTI.GOV)

    Stavinoha, L.L.; Westbrook, S.R.; McInnis, L.A.

    1995-05-01

    Experiments were performed in a Single-Tube Heat Exchanger (STHE) apparatus and a Hot Liquid Process Simulator (HLPS) configured and operated to meet Jet Fuel Thermal Oxidation Tester (JFTOT) ASTM D 3241 requirements. The HLPS-JFTOT heater tubes used were 1018 mild steel, 316 stainless steel (SS), 304 stainless steel (SS), and 304 SS tubes coated with aluminum, magnesium, gold, and copper. A low-sulfur Jet A fuel with a breakpoint temperature of 254{degrees}C was used to create deposits on the heater tubes at temperatures of 300{degrees}C, 340{degrees}C, and 380{degrees}C. Deposit thickness was measured by dielectric breakdown voltage and Auger ion milling. Pronouncedmore » differences between the deposit thickness measuring techniques suggested that both the Auger milling rate and the dielectric strength of the deposit may be affected by deposit morphology/composition (such as metal ions that may have become included in the bulk of the deposit). Carbon burnoff data were obtained as a means of judging the validity of DMD-derived deposit evaluations. ESCA data suggest that the thinnest deposit was on the magnesium-coated test tube. The Scanning Electron Microscope (SEM) photographs showed marked variations in the deposit morphology and the results suggested that surface composition has a significant effect on the mechanism of deposition. The most dramatic effect observed was that the bulk of deposits moved to tube locations of lower temperature as the maximum temperature of the tube was increased from 300{degrees} to 380{degrees}C, also verified in a single-tube heat exchanger. The results indicate that the deposition rate and quantity at elevated temperatures is not completely temperature dependent, but is limited by the concentration of dissolved oxygen and/or reactive components in the fuel over a temperature range.« less

  10. Organic chloramines in drinking water: An assessment of formation, stability, reactivity and risk.

    PubMed

    How, Zuo Tong; Linge, Kathryn L; Busetti, Francesco; Joll, Cynthia A

    2016-04-15

    Although organic chloramines are known to form during the disinfection of drinking water with chlorine, little information is currently available on their occurrence or toxicity. In a recent in vitro study, some organic chloramines (e.g. N-chloroglycine) were found to be cytotoxic and genotoxic even at micromolar concentrations. In this paper, the formation and stability of 21 different organic chloramines, from chlorination of simple amines and amino acids, were studied, and the competition between 20 amino acids during chlorination was also investigated. For comparison, chlorination of two amides was also conducted. The formation and degradation of selected organic chloramines were measured using either direct UV spectroscopic or colorimetric detection. Although cysteine, methionine and tryptophan were the most reactive amino acids towards chlorination, they did not form organic chloramines at the chlorine to precursor molar ratios that were tested. Only 6 out of the 21 organic chloramines formed had a half-life of more than 3 h, although this group included all organic chloramines formed from amines. A health risk assessment relating stability and reactivity data from this study to toxicity and precursor abundance data from the literature indicated that only N-chloroglycine is likely to be of concern due to its stability, toxicity and abundance in water. However, given the stability of organic chloramines formed from amines, more information about the toxicity and precursor abundance for these chloramines is desirable. Copyright © 2016 Elsevier Ltd. All rights reserved.

  11. The NACA Apparatus for Studying the Formation and Combustion of Fuel Sprays and the Results from Preliminary Tests

    NASA Technical Reports Server (NTRS)

    Rothrock, A M

    1933-01-01

    This report describes the apparatus as designed and constructed at the Langley Memorial Aeronautical Laboratory, for studying the formation and combustion of fuel sprays under conditions closely simulating those occurring in a high-speed compression-ignition engine. The apparatus consists of a single-cylinder modified test engine, a fuel-injection system so designed that a single charge of fuel can be injected into the combustion chamber of the engine, an electric driving motor, and a high-speed photographic apparatus. The cylinder head of the engine has a vertical-disk form of combustion chamber whose sides are glass windows. When the fuel is injected into the combustion chamber, motion pictures at the rate of 2,000 per second are taken of the spray formation by means of spark discharges. When combustion takes place the light of the combustion is recorded on the same photographic film as the spray photographs. The report includes the results of some tests to determine the effect of air temperature, air flow, and nozzle design on the spray formation.

  12. Feasibility study on AFR-100 fuel conversion from uranium-based fuel to thorium-based fuel

    DOE Office of Scientific and Technical Information (OSTI.GOV)

    Heidet, F.; Kim, T.; Grandy, C.

    2012-07-30

    determine the best core performance characteristics for each of them. With the exception of the fuel type and enrichment, the reference AFR-100 core design characteristics were kept unchanged, including the general core layout and dimensions, assembly dimensions, materials and power rating. In addition, the mass of {sup 235}U required was kept within a reasonable range from that of the reference AFR-100 design. The core performance characteristics, kinetics parameters and reactivity feedback coefficients were calculated using the ANL suite of fast reactor analysis code systems. Orifice design calculations and the steady-state thermal-hydraulic analyses were performed using the SE2-ANL code. The thermal margins were evaluated by comparing the peak temperatures to the design limits for parameters such as the fuel melting temperature and the fuel-cladding eutectic temperature. The inherent safety features of AFR-100 cores proposed were assessed using the integral reactivity parameters of the quasi-static reactivity balance analysis. The design objectives and requirements, the computation methods used as well as a description of the core concept are provided in Section 2. The three major approaches considered are introduced in Section 3 and the neutronics performances of those approaches are discussed in the same section. The orifice zoning strategies used and the steady-state thermal-hydraulic performance are provided in Section 4. The kinetics and reactivity coefficients, including the inherent safety characteristics, are provided in Section 5, and the Conclusions in Section 6. Other scenarios studied and sensitivity studies are provided in the Appendix section.« less

  13. 78 FR 73566 - Standard Format and Content for a License Application for an Independent Spent Fuel Storage...

    Federal Register 2010, 2011, 2012, 2013, 2014

    2013-12-06

    ...The U.S. Nuclear Regulatory Commission (NRC) is issuing for public comment draft regulatory guide (DG), DG-3042, ``Standard Format and Content for a License Application for an Independent Spent Fuel Storage Installation or a Monitored Retrievable Storage Facility.'' This draft regulatory guide is proposed revision 2 of Regulatory Guide 3.50, which provides a format that the NRC considers acceptable for submitting the information for license applications to store spent nuclear fuel, high-level radioactive waste, and/or reactor-related Greater than Class C waste.

  14. Multiphase composition changes and reactive oxygen species formation during limonene oxidation in the new Cambridge Atmospheric Simulation Chamber (CASC)

    NASA Astrophysics Data System (ADS)

    Gallimore, Peter J.; Mahon, Brendan M.; Wragg, Francis P. H.; Fuller, Stephen J.; Giorio, Chiara; Kourtchev, Ivan; Kalberer, Markus

    2017-08-01

    The chemical composition of organic aerosols influences their impacts on human health and the climate system. Aerosol formation from gas-to-particle conversion and in-particle reaction was studied for the oxidation of limonene in a new facility, the Cambridge Atmospheric Simulation Chamber (CASC). Health-relevant oxidising organic species produced during secondary organic aerosol (SOA) formation were quantified in real time using an Online Particle-bound Reactive Oxygen Species Instrument (OPROSI). Two categories of reactive oxygen species (ROS) were identified based on time series analysis: a short-lived component produced during precursor ozonolysis with a lifetime of the order of minutes, and a stable component that was long-lived on the experiment timescale (˜ 4 h). Individual organic species were monitored continuously over this time using Extractive Electrospray Ionisation (EESI) Mass Spectrometry (MS) for the particle phase and Proton Transfer Reaction (PTR) MS for the gas phase. Many first-generation oxidation products are unsaturated, and we observed multiphase aging via further ozonolysis reactions. Volatile products such as C9H14O (limonaketone) and C10H16O2 (limonaldehyde) were observed in the gas phase early in the experiment, before reacting again with ozone. Loss of C10H16O4 (7-hydroxy limononic acid) from the particle phase was surprisingly slow. A combination of reduced C = C reactivity and viscous particle formation (relative to other SOA systems) may explain this, and both scenarios were tested in the Pretty Good Aerosol Model (PG-AM). A range of characterisation measurements were also carried out to benchmark the chamber against existing facilities. This work demonstrates the utility of CASC, particularly for understanding the reactivity and health-relevant properties of organic aerosols using novel, highly time-resolved techniques.

  15. Influence of hydrocarbon fuel structural constitution and flame temperature on soot formation in laminar diffusion flames

    DOE Office of Scientific and Technical Information (OSTI.GOV)

    Gulder, O.L.

    1989-11-01

    A systematic study of soot formation along the centerlines of axisymmetric laminar diffusion flames of a large number of liquid hydrocarbons, hydrocarbon blends, and transportation fuels were made. Measurements of the attenuation of a laser beam across the flame diameter were used to obtain the soot volume fraction, assuming Rayleigh extinction. Two sets of hydrocarbon blends were designed such that the molecular fuel composition varied considerably but the temperature fields in the flames were kept practically constant. Thus it was possible to separate the effects of molecular structure and the flame temperature on soot formation. It was quantitatively shown thatmore » the smoke height is a lumped measure of fuel molecular constitution and hydrogen-to-carbon ratio. Hydrocarbon fuel molecular composition was characterized by six carbon atom types that can be obtained, for complex hydrocarbon mixtures like transportation fuels, from proton nuclear magnetic resonance (/sup 1/H NMR) measurements. Strong attenuation of the laser beam was observed at heights very close to the burner rim. Visible flame profiles along the flame length were shown to have good self-similarity. Kent's model for diffusion flames was modified to include the effects of differences in flame temperatures and molecular diffusivities between fuels. An analysis based on the present data provides an assessment of the degree of contribution of different carbon atom types to the maximum soot volume fractions.« less

  16. Reactivated Moraxella osteitis presenting as granulomatous disease.

    PubMed

    Sendi, P; Meier, R; Sonderegger, B; Bonel, H M; Schäfer, S C; Vögelin, E

    2014-11-01

    Granulomatous infections are commonly associated with mycobacteria, brucellosis, actinomycosis, nocardiosis, spirochetes, and fungi. Rarely, granuloma formation is a host response to other bacterial infection. Osteomyelitis and osteitis that reactivate many years after the primary episode is a known phenomenon. A reactivation that presents as a granulomatous disease is rare. We present a case of reactivated osteitis due to Moraxella osloensis with consecutive granuloma formation.

  17. Evaluating temperature and fuel stratification for heat-release rate control in a reactivity-controlled compression-ignition engine using optical diagnostics and chemical kinetics modeling

    DOE Office of Scientific and Technical Information (OSTI.GOV)

    Musculus, Mark P. B.; Kokjohn, Sage L.; Reitz, Rolf D.

    We investigated the combustion process in a dual-fuel, reactivity-controlled compression-ignition (RCCI) engine using a combination of optical diagnostics and chemical kinetics modeling to explain the role of equivalence ratio, temperature, and fuel reactivity stratification for heat-release rate control. An optically accessible engine is operated in the RCCI combustion mode using gasoline primary reference fuels (PRF). A well-mixed charge of iso-octane (PRF = 100) is created by injecting fuel into the engine cylinder during the intake stroke using a gasoline-type direct injector. Later in the cycle, n-heptane (PRF = 0) is delivered through a centrally mounted diesel-type common-rail injector. This injectionmore » strategy generates stratification in equivalence ratio, fuel blend, and temperature. The first part of this study uses a high-speed camera to image the injection events and record high-temperature combustion chemiluminescence. Moreover, the chemiluminescence imaging showed that, at the operating condition studied in the present work, mixtures in the squish region ignite first, and the reaction zone proceeds inward toward the center of the combustion chamber. The second part of this study investigates the charge preparation of the RCCI strategy using planar laser-induced fluorescence (PLIF) of a fuel tracer under non-reacting conditions to quantify fuel concentration distributions prior to ignition. The fuel-tracer PLIF data show that the combustion event proceeds down gradients in the n-heptane distribution. The third part of the study uses chemical kinetics modeling over a range of mixtures spanning the distributions observed from the fuel-tracer fluorescence imaging to isolate the roles of temperature, equivalence ratio, and PRF number stratification. The simulations predict that PRF number stratification is the dominant factor controlling the ignition location and growth rate of the reaction zone. Equivalence ratio has a smaller, but still

  18. Evaluating temperature and fuel stratification for heat-release rate control in a reactivity-controlled compression-ignition engine using optical diagnostics and chemical kinetics modeling

    DOE PAGES

    Musculus, Mark P. B.; Kokjohn, Sage L.; Reitz, Rolf D.

    2015-04-23

    We investigated the combustion process in a dual-fuel, reactivity-controlled compression-ignition (RCCI) engine using a combination of optical diagnostics and chemical kinetics modeling to explain the role of equivalence ratio, temperature, and fuel reactivity stratification for heat-release rate control. An optically accessible engine is operated in the RCCI combustion mode using gasoline primary reference fuels (PRF). A well-mixed charge of iso-octane (PRF = 100) is created by injecting fuel into the engine cylinder during the intake stroke using a gasoline-type direct injector. Later in the cycle, n-heptane (PRF = 0) is delivered through a centrally mounted diesel-type common-rail injector. This injectionmore » strategy generates stratification in equivalence ratio, fuel blend, and temperature. The first part of this study uses a high-speed camera to image the injection events and record high-temperature combustion chemiluminescence. Moreover, the chemiluminescence imaging showed that, at the operating condition studied in the present work, mixtures in the squish region ignite first, and the reaction zone proceeds inward toward the center of the combustion chamber. The second part of this study investigates the charge preparation of the RCCI strategy using planar laser-induced fluorescence (PLIF) of a fuel tracer under non-reacting conditions to quantify fuel concentration distributions prior to ignition. The fuel-tracer PLIF data show that the combustion event proceeds down gradients in the n-heptane distribution. The third part of the study uses chemical kinetics modeling over a range of mixtures spanning the distributions observed from the fuel-tracer fluorescence imaging to isolate the roles of temperature, equivalence ratio, and PRF number stratification. The simulations predict that PRF number stratification is the dominant factor controlling the ignition location and growth rate of the reaction zone. Equivalence ratio has a smaller, but still

  19. The effects of organosulfur compounds upon the storage stability of Jet A fuel. M.S. Thesis. Final Report

    NASA Technical Reports Server (NTRS)

    Heneman, F. C.

    1981-01-01

    This study examined the effect of sulfur-containing compounds on the storage stability of Jet A turbine fuel. It was found that alkyl sulfides and disulfides increased the fuel's stability while all thiols and thiophene derivatives tested decreased fuel stability (increased deposit formation) at temperatures and sulfur concentrations selected. Linear Arrhenius plots of sulfur-spiked fuel samples demonstrated that deposit formation decreased with increased slope for all alkyl sulfides, alkyl disulfides, thiols, and thiophene derivatives. A plot of insoluble deposit vs. concentration of added alkyl sulfide produces a negative slope. It appears that the inhibiting mechanism for alkyl sulfides is a result of the compound's reactivity with intermediate soluble precursors to deposit in the fuel. A method of approximating the relative basicity of weak organosulfur bases was developed via measurement of their resonance chemical shifts in proton NMR. Linear plots of log gm. deposit vs. change in chemical shift (shift differences between sulfur bases neat and complexed with I2) were found for alkyl sulfides and alkyl thiols. This suggests the possibility that increased deposit formation is due to base catalysis with these compound classes.

  20. Characterization of Hydrocarbon Emissions from Gasoline Direct-Injection Compression Ignition Engine Operating on a Higher Reactivity Gasoline Fuel

    DOE Office of Scientific and Technical Information (OSTI.GOV)

    Storey, John; Lewis, Samuel; Moses-DeBusk, Melanie

    Low temperature combustion engine technologies are being investigated for high efficiency and low emissions. However, such engine technologies often produce higher engine-out hydrocarbon (HC) and carbon monoxide (CO) emissions, and their operating range is limited by the fuel properties. In this study, two different fuels, a US market gasoline containing 10% ethanol (RON 92 E10) and a higher reactivity gasoline (RON 80 E0), were compared on a Delphi’s second generation Gasoline Direct-Injection Compression Ignition (Gen 2.0 GDCI) multi-cylinder engine. The engine was evaluated at three operating points ranging from a light load condition (800 rpm/2 bar IMEP g) to mediummore » load conditions (1500 rpm/6 bar and 2000 rpm/10 bar IMEP g). The engine was equipped with two oxidation catalysts, between which was located the exhaust gas recirculation (EGR) inlet. Samples were taken at engine-out, between the catalysts, and at tailpipe locations. In addition, part of the raw exhaust was diluted and sampled for HC speciation. Canisters and sorbent membranes were used to collect volatile HCs and semi-volatile HCs, respectively. Di-nitrophenyl hydrazine (DNPH) cartridges were also used for collecting oxygenated species. Results showed overall lower HC emissions with the RON 80 E0 fuel compared to the RON 92 E10 fuel. For both fuels, the percentage of aromatic HCs was higher in the exhaust than in the fuels themselves. High engine-out aldehyde and ketone emissions were observed for both fuels. The reported HC speciation information can be useful for the development of a robust emission control system.« less

  1. Characterization of Hydrocarbon Emissions from Gasoline Direct-Injection Compression Ignition Engine Operating on a Higher Reactivity Gasoline Fuel

    DOE PAGES

    Storey, John; Lewis, Samuel; Moses-DeBusk, Melanie; ...

    2017-02-05

    Low temperature combustion engine technologies are being investigated for high efficiency and low emissions. However, such engine technologies often produce higher engine-out hydrocarbon (HC) and carbon monoxide (CO) emissions, and their operating range is limited by the fuel properties. In this study, two different fuels, a US market gasoline containing 10% ethanol (RON 92 E10) and a higher reactivity gasoline (RON 80 E0), were compared on a Delphi’s second generation Gasoline Direct-Injection Compression Ignition (Gen 2.0 GDCI) multi-cylinder engine. The engine was evaluated at three operating points ranging from a light load condition (800 rpm/2 bar IMEP g) to mediummore » load conditions (1500 rpm/6 bar and 2000 rpm/10 bar IMEP g). The engine was equipped with two oxidation catalysts, between which was located the exhaust gas recirculation (EGR) inlet. Samples were taken at engine-out, between the catalysts, and at tailpipe locations. In addition, part of the raw exhaust was diluted and sampled for HC speciation. Canisters and sorbent membranes were used to collect volatile HCs and semi-volatile HCs, respectively. Di-nitrophenyl hydrazine (DNPH) cartridges were also used for collecting oxygenated species. Results showed overall lower HC emissions with the RON 80 E0 fuel compared to the RON 92 E10 fuel. For both fuels, the percentage of aromatic HCs was higher in the exhaust than in the fuels themselves. High engine-out aldehyde and ketone emissions were observed for both fuels. The reported HC speciation information can be useful for the development of a robust emission control system.« less

  2. A novel concept of QUADRISO particles. Part II: Utilization for excess reactivity control.

    DOE Office of Scientific and Technical Information (OSTI.GOV)

    Talamo, A.

    2010-07-01

    In high temperature reactors, burnable absorbers are utilized to manage the excess reactivity at the early stage of the fuel cycle. In this paper QUADRISO particles are proposed to manage the initial excess reactivity of high temperature reactors. The QUADRISO concept synergistically couples the decrease of the burnable poison with the decrease of the fissile materials at the fuel particle level. This mechanism is set up by introducing a burnable poison layer around the fuel kernel in ordinary TRISO particles or by mixing the burnable poison with any of the TRISO coated layers. At the beginning of life, the initialmore » excess reactivity is small because some neutrons are absorbed in the burnable poison and they are prevented from entering the fuel kernel. At the end of life, when the absorber is almost depleted, more neutrons stream into the fuel kernel of QUADRISO particles causing fission reactions. The mechanism has been applied to a prismatic high temperature reactor with europium or erbium burnable absorbers, showing a significant reduction in the initial excess reactivity of the core.« less

  3. A novel concept of QUADRISO particles : Part II Utilization for excess reactivity control.

    DOE Office of Scientific and Technical Information (OSTI.GOV)

    Talamo, A.

    2011-01-01

    In high temperature reactors, burnable absorbers are utilized to manage the excess reactivity at the early stage of the fuel cycle. In this paper QUADRISO particles are proposed to manage the initial excess reactivity of high temperature reactors. The QUADRISO concept synergistically couples the decrease of the burnable poison with the decrease of the fissile materials at the fuel particle level. This mechanism is set up by introducing a burnable poison layer around the fuel kernel in ordinary TRISO particles or by mixing the burnable poison with any of the TRISO coated layers. At the beginning of life, the initialmore » excess reactivity is small because some neutrons are absorbed in the burnable poison and they are prevented from entering the fuel kernel. At the end of life, when the absorber is almost depleted, more neutrons stream into the fuel kernel of QUADRISO particles causing fission reactions. The mechanism has been applied to a prismatic high temperature reactor with europium or erbium burnable absorbers, showing a significant reduction in the initial excess reactivity of the core.« less

  4. Formate: an Energy Storage and Transport Bridge between Carbon Dioxide and a Formate Fuel Cell in a Single Device.

    PubMed

    Vo, Tracy; Purohit, Krutarth; Nguyen, Christopher; Biggs, Brenna; Mayoral, Salvador; Haan, John L

    2015-11-01

    We demonstrate the first device to our knowledge that uses a solar panel to power the electrochemical reduction of dissolved carbon dioxide (carbonate) into formate that is then used in the same device to operate a direct formate fuel cell (DFFC). The electrochemical reduction of carbonate is carried out on a Sn electrode in a reservoir that maintains a constant carbon balance between carbonate and formate. The electron-rich formate species is converted by the DFFC into electrical energy through electron release. The product of DFFC operation is the electron-deficient carbonate species that diffuses back to the reservoir bulk. It is possible to continuously charge the device using alternative energy (e.g., solar) to convert carbonate to formate for on-demand use in the DFFC; the intermittent nature of alternative energy makes this an attractive design. In this work, we demonstrate a proof-of-concept device that performs reduction of carbonate, storage of formate, and operation of a DFFC. © 2015 WILEY-VCH Verlag GmbH & Co. KGaA, Weinheim.

  5. Primary emissions and secondary organic aerosol formation from the exhaust of a flex-fuel (ethanol) vehicle

    NASA Astrophysics Data System (ADS)

    Suarez-Bertoa, R.; Zardini, A. A.; Platt, S. M.; Hellebust, S.; Pieber, S. M.; El Haddad, I.; Temime-Roussel, B.; Baltensperger, U.; Marchand, N.; Prévôt, A. S. H.; Astorga, C.

    2015-09-01

    Incentives to use biofuels may result in increasing vehicular emissions of compounds detrimental to air quality. Therefore, regulated and unregulated emissions from a Euro 5a flex-fuel vehicle, tested using E85 and E75 blends (gasoline containing 85% and 75% of ethanol (vol/vol), respectively), were investigated at 22 and -7 °C over the New European Driving Cycle, at the Vehicle Emission Laboratory at the European Commission Joint Research Centre Ispra, Italy. Vehicle exhaust was comprehensively analyzed at the tailpipe and in a dilution tunnel. A fraction of the exhaust was injected into a mobile smog chamber to study the photochemical aging of the mixture. We found that emissions from a flex-fuel vehicle, fueled by E85 and E75, led to secondary organic aerosol (SOA) formation, despite the low aromatic content of these fuel blends. Emissions of regulated and unregulated compounds, as well as emissions of black carbon (BC) and primary organic aerosol (POA) and SOA formation were higher at -7 °C. The flex-fuel unregulated emissions, mainly composed of ethanol and acetaldehyde, resulted in very high ozone formation potential and SOA, especially at low temperature (860 mg O3 km-1 and up to 38 mg C kg-1). After an OH exposure of 10 × 106 cm-3 h, SOA mass was, on average, 3 times larger than total primary particle mass emissions (BC + POA) with a high O:C ratio (up to 0.7 and 0.5 at 22 and -7 °C, respectively) typical of highly oxidized mixtures. Furthermore, high resolution organic mass spectra showed high 44/43 ratios (ratio of the ions m/z 44 and m/z 43) characteristic of low-volatility oxygenated organic aerosol. We also hypothesize that SOA formation from vehicular emissions could be due to oxidation products of ethanol and acetaldehyde, both short-chain oxygenated VOCs, e.g. methylglyoxal and acetic acid, and not only from aromatic compounds.

  6. Understanding the mechanism of catalytic fast pyrolysis by unveiling reactive intermediates in heterogeneous catalysis

    NASA Astrophysics Data System (ADS)

    Hemberger, Patrick; Custodis, Victoria B. F.; Bodi, Andras; Gerber, Thomas; van Bokhoven, Jeroen A.

    2017-06-01

    Catalytic fast pyrolysis is a promising way to convert lignin into fine chemicals and fuels, but current approaches lack selectivity and yield unsatisfactory conversion. Understanding the pyrolysis reaction mechanism at the molecular level may help to make this sustainable process more economic. Reactive intermediates are responsible for product branching and hold the key to unveiling these mechanisms, but are notoriously difficult to detect isomer-selectively. Here, we investigate the catalytic pyrolysis of guaiacol, a lignin model compound, using photoelectron photoion coincidence spectroscopy with synchrotron radiation, which allows for isomer-selective detection of reactive intermediates. In combination with ambient pressure pyrolysis, we identify fulvenone as the central reactive intermediate, generated by catalytic demethylation to catechol and subsequent dehydration. The fulvenone ketene is responsible for the phenol formation. This technique may open unique opportunities for isomer-resolved probing in catalysis, and holds the potential for achieving a mechanistic understanding of complex, real-life catalytic processes.

  7. Understanding the mechanism of catalytic fast pyrolysis by unveiling reactive intermediates in heterogeneous catalysis

    PubMed Central

    Hemberger, Patrick; Custodis, Victoria B. F.; Bodi, Andras; Gerber, Thomas; van Bokhoven, Jeroen A.

    2017-01-01

    Catalytic fast pyrolysis is a promising way to convert lignin into fine chemicals and fuels, but current approaches lack selectivity and yield unsatisfactory conversion. Understanding the pyrolysis reaction mechanism at the molecular level may help to make this sustainable process more economic. Reactive intermediates are responsible for product branching and hold the key to unveiling these mechanisms, but are notoriously difficult to detect isomer-selectively. Here, we investigate the catalytic pyrolysis of guaiacol, a lignin model compound, using photoelectron photoion coincidence spectroscopy with synchrotron radiation, which allows for isomer-selective detection of reactive intermediates. In combination with ambient pressure pyrolysis, we identify fulvenone as the central reactive intermediate, generated by catalytic demethylation to catechol and subsequent dehydration. The fulvenone ketene is responsible for the phenol formation. This technique may open unique opportunities for isomer-resolved probing in catalysis, and holds the potential for achieving a mechanistic understanding of complex, real-life catalytic processes. PMID:28660882

  8. Reactivity and O2 Formation by Mn(IV)- and Mn(V)-Hydroxo Species Stabilized within a Polyfluoroxometalate Framework.

    PubMed

    Schreiber, Roy E; Cohen, Hagai; Leitus, Gregory; Wolf, Sharon G; Zhou, Ang; Que, Lawrence; Neumann, Ronny

    2015-07-15

    Manganese(IV,V)-hydroxo and oxo complexes are often implicated in both catalytic oxygenation and water oxidation reactions. Much of the research in this area is designed to structurally and/or functionally mimic enzymes. On the other hand, the tendency of such mimics to decompose under strong oxidizing conditions makes the use of molecular inorganic oxide clusters an enticing alternative for practical applications. In this context it is important to understand the reactivity of conceivable reactive intermediates in such an oxide-based chemical environment. Herein, a polyfluoroxometalate (PFOM) monosubstituted with manganese, [NaH2(Mn-L)W17F6O55](q-), has allowed the isolation of a series of compounds, Mn(II, III, IV and V), within the PFOM framework. Magnetic susceptibility measurements show that all the compounds are high spin. XPS and XANES measurements confirmed the assigned oxidation states. EXAFS measurements indicate that Mn(II)PFOM and Mn(III)PFOM have terminal aqua ligands and Mn(V)PFOM has a terminal hydroxo ligand. The data are more ambiguous for Mn(IV)PFOM where both terminal aqua and hydroxo ligands can be rationalized, but the reactivity observed more likely supports a formulation of Mn(IV)PFOM as having a terminal hydroxo ligand. Reactivity studies in water showed unexpectedly that both Mn(IV)-OH-PFOM and Mn(V)-OH-PFOM are very poor oxygen-atom donors; however, both are highly reactive in electron transfer oxidations such as the oxidation of 3-mercaptopropionic acid to the corresponding disulfide. The Mn(IV)-OH-PFOM compound reacted in water to form O2, while Mn(V)-OH-PFOM was surprisingly indefinitely stable. It was observed that addition of alkali cations (K(+), Rb(+), and Cs(+)) led to the aggregation of Mn(IV)-OH-PFOM as analyzed by electron microscopy and DOSY NMR, while addition of Li(+) and Na(+) did not lead to aggregates. Aggregation leads to a lowering of the entropic barrier of the reaction without changing the free energy barrier. The

  9. Characterization of fuels for second-generation PFBC

    DOE Office of Scientific and Technical Information (OSTI.GOV)

    Zevenhoven, C.A.P.; Hupa, M.

    1997-12-31

    In second-generation PFBC technology a solid fuel is partly converted in a devolatilization step (in a carbonizer) to produce a char and a pressurized fuel gas, followed by PFB combustion of the char. The fuel gas is led to the combustion chamber of a gas turbine after it is mixed with the PFBC off-gas, thus increasing the temperature at the inlet of the expansion turbine. Clearly, the optimization of the carbonizer design and operation is essential to the process. Detailed information on the behavior of solid fuels under pressurized conditions is, however, largely limited to steam and/or carbon dioxide gasificationmore » reactivities, obtained at a different combination of process parameters, such as temperature, pressure, heating rate, particle size and gas atmosphere. In the present work, the effect of temperature, pressure and heating rates on the yields of volatiles and char residue reactivity has been measured for a set of fuels ranging from bituminous coal to wood. Laboratory conditions were typical for the carbonizer and combustion reactors in a second-generation PFBC system. A pressurized thermogravimetric reactor (PTGR) operated at heating rates of around 250 K/s and a pressurized grid heater (PGH) operated at heating rates up to 3,000 K/s were used to analyze fuel devolatilization and char reactivity against carbon dioxide or steam at temperatures between 800 and 1,100 C, and 1, 10 or 25 bar total pressure. For comparison, a few experiments were repeated without a separate devolatilization step. The behavior of the various fuels were compared and related to proximate and ultimate fuel analysis. Several empirical, engineering equations are given. A simple 2-parameter model which separates intrinsic surface reactivity and physical, structure effects, very well describes the time-conversion data of the char. It was found that the fuel O/C molar ratio is a very good index for char reactivity, when the char O/C ratio itself is unknown.« less

  10. Impact of Americium-241 (n,γ) Branching Ratio on SFR Core Reactivity and Spent Fuel Characteristics

    DOE Office of Scientific and Technical Information (OSTI.GOV)

    Hiruta, Hikaru; Youinou, Gilles J.; Dixon, Brent W.

    An accurate prediction of core physics and fuel cycle parameters largely depends on the order of details and accuracy in nuclear data taken into account for actual calculations. 241Am is a major gateway nuclide for most of minor actinides and thus important nuclide for core physics and fuel-cycle calculations. The 241Am(n,?) branching ratio (BR) is in fact the energy dependent (see Fig. 1), therefore, it is necessary to taken into account the spectrum effect on the calculation of the average BR for the full-core depletion calculations. Moreover, the accuracy of the BR used in the depletion calculations could significantly influencemore » the core physics performance and post irradiated fuel compositions. The BR of 241Am(n,?) in ENDF/B-VII.0 library is relatively small and flat in thermal energy range, gradually increases within the intermediate energy range, and even becomes larger at the fast energy range. This indicates that the properly collapsed BR for fast reactors could be significantly different from that of thermal reactors. The evaluated BRs are also differ from one evaluation to another. As seen in Table I, average BRs for several evaluated libraries calculated by means of a fast spectrum are similar but have some differences. Most of currently available depletion codes use a pre-determined single value BR for each library. However, ideally it should be determined on-the-fly basis like that of one-group cross sections. These issues provide a strong incentive to investigate the effect of different 241Am(n,?) BRs on core and spent fuel parameters. This paper investigates the impact of the 241Am(n,?) BR on the results of SFR full-core based fuel-cycle calculations. The analysis is performed by gradually increasing the value of BR from 0.15 to 0.25 and studying its impact on the core reactivity and characteristics of SFR spent fuels over extended storage times (~10,000 years).« less

  11. Burnable absorber arrangement for fuel bundle

    DOE Office of Scientific and Technical Information (OSTI.GOV)

    Crowther, R.L.; Townsend, D.B.

    1986-12-16

    This patent describes a boiling water reactor core whose operation is characterized by a substantial proportion of steam voids with concomitantly reduced moderation toward the top of the core when the reactor is in its hot operating condition. The reduced moderation leads to slower burnup and greater conversion ratio in an upper core region so that when the reactor is in its cold shut down condition the resulting relatively increased moderation in the upper core region is accompanied by a reactivity profile that peaks in the upper core region. A fuel assembly is described comprising; a component of fissile materialmore » distributed over a substantial axial extent of the fuel assembly; and a component of neutron absorbing material having an axial distribution characterized by an enhancement in an axial zone of the fuel assembly, designated the cold shutdown control zone, corresponding to at least a portion of the axial region of the core when the cold shutdown reactivity peaks. The aggregate amount of neutron absorbing material in the cold shutdown zone of the fuel assembly is greater than the aggregate amount of neutron absorbing material in the axial zones of the fuel assembly immediately above and immediately below the cold shutdown control zone whereby the cold shutdown reactivity peak is reduced relative to the cold shutdown reactivity in the zones immediately above and immediately below the cold shutdown control zone. The cold shutdown zone has an axial extent measured from the bottom of the fuel assembly in the range between 68-88 percent of the height of the fissile material in the fuel assembly.« less

  12. Sensitivity-Based VOC Reactivity Calculation

    EPA Science Inventory

    Volatile Organic Compound (VOC) reactivity scales are used to compare the ozone-forming potentials of various compounds. The comparison allows for substitution of compounds to lessen formation of ozone from paints, solvents, and other products. Current reactivity scales for VOC c...

  13. Experimental Investigation of Fuel-Reactivity Controlled Compression Ignition (RCCI) Combustion Mode in a Multi-Cylinder, Light-Duty Diesel Engine

    DOE Office of Scientific and Technical Information (OSTI.GOV)

    Cho, Kukwon; Curran, Scott; Prikhodko, Vitaly Y

    2011-01-01

    An experimental study was performed to provide the combustion and emission characteristics resulting from fuel-reactivity controlled compression ignition (RCCI) combustion mode utilizing dual-fuel approach in a light-duty, multi-cylinder diesel engine. In-cylinder fuel blending using port fuel injection of gasoline before intake valve opening (IVO) and early-cycle, direct injection of diesel fuel was used as the charge preparation and fuel blending strategy. In order to achieve the desired auto-ignition quality through the stratification of the fuel-air equivalence ratio ( ), blends of commercially available gasoline and diesel fuel were used. Engine experiments were performed at an engine speed of 2300rpm andmore » an engine load of 4.3bar brake mean effective pressure (BMEP). It was found that significant reduction in both nitrogen oxide (NOx) and particulate matter (PM) was realized successfully through the RCCI combustion mode even without applying exhaust gas recirculation (EGR). However, high carbon monoxide (CO) and hydrocarbon (HC) emissions were observed. The low combustion gas temperature during the expansion and exhaust processes seemed to be the dominant source of high CO emissions in the RCCI combustion mode. The high HC emissions during the RCCI combustion mode could be due to the increased combustion quenching layer thickness as well as the -stratification at the periphery of the combustion chamber. The slightly higher brake thermal efficiency (BTE) of the RCCI combustion mode was observed than the other combustion modes, such as the conventional diesel combustion (CDC) mode, and single-fuel, premixed charge compression ignition (PCCI) combustion mode. The parametric study of the RCCI combustion mode revealed that the combustion phasing and/or the peak cylinder pressure rise rate of the RCCI combustion mode could be controlled by several physical parameters premixed ratio (rp), intake swirl intensity, and start of injection (SOI) timing of directly

  14. Fuel Spray and Flame Formation in a Compression-Ignition Engine Employing Air Flow

    NASA Technical Reports Server (NTRS)

    Rothrock, A M; Waldron, C D

    1937-01-01

    The effects of air flow on fuel spray and flame formation in a high-speed compression-ignition engine have been investigated by means of the NACA combustion apparatus. The process was studied by examining high-speed motion pictures taken at the rate of 2,200 frames a second. The combustion chamber was of the flat-disk type used in previous experiments with this apparatus. The air flow was produced by a rectangular displacer mounted on top of the engine piston. Three fuel-injection nozzles were tested: a 0.020-inch single-orifice nozzle, a 6-orifice nozzle, and a slit nozzle. The air velocity within the combustion chamber was estimated to reach a value of 425 feet a second. The results show that in no case was the form of the fuel spray completely destroyed by the air jet although in some cases the direction of the spray was changed and the spray envelope was carried away by the moving air. The distribution of the fuel in the combustion chamber of a compression-ignition engine can be regulated to some extent by the design of the combustion chamber, by the design of the fuel-injection nozzle, and by the use of air flow.

  15. Reactive flash volatilization of fluid fuels

    DOEpatents

    Schmidt, Lanny D.; Dauenhauer, Paul J.; Dreyer, Bradon J.; Salge, James R.

    2013-01-08

    The invention provides methods for the production of synthesis gas. More particularly, various embodiments of the invention relate to systems and methods for volatilizing fluid fuel to produce synthesis gas by using a metal catalyst on a solid support matrix.

  16. Gum and deposit formation from jet turbine and diesel fuels at 100/sup 0/C

    DOE Office of Scientific and Technical Information (OSTI.GOV)

    Mayo, F.R.; Lan, B.Y.

    1987-02-01

    Rates of oxidation and gum formation for six hydrocarbons, three jet turbine fuels and three diesel fuels have been measured at 100/sup 0/C in the presence of t-Bu/sub 2/O/sub 2/ as initiator. Four of the six fuels oxidize faster at 100/sup 0/C than in previous work at 130/sup 0/C without initiator. For any single substrate, the amount of gum produced for the oxygen absorbed is similar at 100 and 130/sup 0/C, even with large changes in rates and t-Bu/sub 2/O/sub 2/ concentrations. In general, the pure hydrocarbons have long kinetic chains and give good yields of hydroperoxides.

  17. High energy X-ray CT study on the central void formations and the fuel pin deformations of FBR fuel assemblies

    NASA Astrophysics Data System (ADS)

    Katsuyama, Kozo; Nagamine, Tsuyoshi; Matsumoto, Shin-ichiro; Sato, Seichi

    2007-02-01

    The central void formations and deformations of fuel pins were investigated in fuel assemblies irradiated to high burn-up, using a non-destructive X-ray CT (computer tomography) technique. In this X-ray CT, the effect of strong gamma ray activity could be reduced to a negligible degree by using the pulse of a high energy X-ray source and detecting the intensity of the transmitted X-rays in synchronization with the generated X-rays. Clear cross-sectional images of fuel assemblies irradiated to high burn-up in a fast breeder reactor were successively obtained, in which the wrapping wires, cladding, pellets and central voids could be distinctly seen. The diameter of a typical central void measured by X-ray CT agreed with the one obtained by ceramography within an error of 0.1 mm. Based on this result, the dependence of the central void diameter on the linear heating rate was analyzed. In addition, the deformation behavior of a fuel pin along its axial direction could be analyzed from 20 stepwise X-ray cross-sectional images obtained in a small interval, and the results obtained showed a good agreement with the predictions calculated by two computer codes.

  18. Aerobic granular sludge inoculated microbial fuel cells for enhanced epoxy reactive diluent wastewater treatment.

    PubMed

    Cheng, Kai; Hu, Jingping; Hou, Huijie; Liu, Bingchuan; Chen, Qin; Pan, Keliang; Pu, Wenhong; Yang, Jiakuan; Wu, Xu; Yang, Changzhu

    2017-04-01

    Microbial consortiums aggregated on the anode surface of microbial fuel cells (MFCs) are critical factors for electricity generation as well as biodegradation efficiencies of organic compounds. Here in this study, aerobic granular sludge (AGS) was assembled on the surface of the MFC anode to form an AGS-MFC system with superior performance on epoxy reactive diluent (ERD) wastewater treatment. AGS-MFCs successfully shortened the startup time from 13d to 7d compared to the ones inoculated with domestic wastewater. Enhanced toxicity tolerance as well as higher COD removal (77.8% vs. 63.6%) were achieved. The higher ERD wastewater treatment efficiency of AGS-MFC is possibly attributed to the diverse microbial population on MFC biofilm, as well as the synergic degradation of contaminants by both the MFC anode biofilm and AGS granules. Copyright © 2017 Elsevier Ltd. All rights reserved.

  19. Jet fuel instability mechanisms

    NASA Technical Reports Server (NTRS)

    Daniel, S. R.

    1985-01-01

    The mechanisms of the formation of fuel-insoluble deposits were studied in several real fuels and in a model fuel consisting of tetralin in dodecane solution. The influence of addition to the fuels of small concentrations of various compounds on the quantities of deposits formed and on the formation and disappearance of oxygenated species in solution was assessed. The effect of temperature on deposit formation was also investigated over the range of 308-453 K.

  20. Mechanism of Pinhole Formation in Membrane Electrode Assemblies for PEM Fuel Cells

    NASA Technical Reports Server (NTRS)

    Stanic, Vesna; Hoberecht, Mark

    2004-01-01

    The pinhole formation mechanism was studied with a variety of MEAs using ex-situ and in-situ methods. The ex-situ tests included the MEA aging in oxygen and MEA heat of ignition. In-situ durability tests were performed in fuel cells at different operating conditions with hydrogen and oxygen. After the in-situ failure, MEAs were analyzed with an Olympus BX 60 optical microscope and Cambridge 120 scanning electron microscope. MEA chemical analysis was performed with an IXRF EDS microanalysis system. The MEA failure analyses showed that pinholes and tears were the MEA failure modes. The pinholes appeared in MEA areas where the membrane thickness was drastically reduced. Their location coincided with the stress concentration points, indicating that membrane creep was responsible for their formation. Some of the pinholes detected had contaminant particles precipitated within the membrane. This mechanism of pinhole formation was correlated to the polymer blistering.

  1. Effects of melatonin on severe crush spinal cord injury-induced reactive astrocyte and scar formation.

    PubMed

    Krityakiarana, Warin; Sompup, Kamonrapat; Jongkamonwiwat, Nopporn; Mukda, Sujira; Pinilla, Fernando Gomez; Govitrapong, Piyarat; Phansuwan-Pujito, Pansiri

    2016-12-01

    The present work aimed at analyzing the effects of melatonin on scar formation after spinal cord injury (SCI). Upregulation of reactive astrocyte under SCI pathological conditions has been presented in several studies. It has been proved that the crucial factor in triggering this upregulation is proinflammatory cytokines. Moreover, scar formation is an important barrier to axonal regeneration through the lesion area. Melatonin plays an important role in reducing inflammation, but its effects on scar formation in the injured spinal cord remain unknown. Hence, we used the model of severe crush injury in mice to investigate the effects of melatonin on scar formation. Mice were randomly separated into four groups; SCI, SCI+Melatonin 1 (single dose), SCI+Melatonin 14 (14 daily doses), and control. Melatonin was administered by intraperitoneal injection (10 mg/kg) after injury. Immunohistochemical analysis, Western blot, and behavioral evaluation were used to explore the effects of melatonin after SCI for 14 days. The melatonin-treated mice presented higher expression of neuronal markers (P < 0.001). Remarkably, the inflammatory response appeared to be greatly reduced in the SCI+Melatonin 14 group (P < 0.001), which also displayed less scar formation (P < 0.05). These findings suggest that melatonin inhibits scar formation by acting on inflammatory cytokines after SCI. Overall, our results suggest that melatonin is a promising treatment strategy after SCI that deserves further investigation. © 2016 Wiley Periodicals, Inc. © 2016 Wiley Periodicals, Inc.

  2. Coupled Reactive Transport Modeling of CO2 Injection in Mt. Simon Sandstone Formation, Midwest USA

    NASA Astrophysics Data System (ADS)

    Liu, F.; Lu, P.; Zhu, C.; Xiao, Y.

    2009-12-01

    CO2 sequestration in deep geological formations is one of the promising options for CO2 emission reduction. While several large scale CO2 injections in saline aquifers have shown to be successful for the short-term, there is still a lack of fundamental understanding on key issues such as CO2 storage capacity, injectivity, and security over multiple spatial and temporal scales that need to be addressed. To advance these understandings, we applied multi-phase coupled reactive mass transport modeling to investigate the fate of injected CO2 and reservoir responses to the injection into Mt. Simon Formation. We developed both 1-D and 2-D reactive transport models in a radial region of 10,000 m surrounding a CO2 injection well to represent the Mt. Simon sandstone formation, which is a major regional deep saline reservoir in the Midwest, USA. Supercritical CO2 is injected into the formation for 100 years, and the modeling continues till 10,000 years to monitor both short-term and long-term behavior of injected CO2 and the associated rock-fluid interactions. CO2 co-injection with H2S and SO2 is also simulated to represent the flue gases from coal gasification and combustion in the Illinois Basin. The injection of CO2 results in acidified zones (pH ~3 and 5) adjacent to the wellbore, causing progressive water-rock interactions in the surrounding region. In accordance with the extensive dissolution of authigenic K-feldspar, sequential precipitations of secondary carbonates and clay minerals are predicted in this zone. The vertical profiles of CO2 show fingering pattern from the top of the reservoir to the bottom due to the density variation of CO2-impregnated brine, which facilitate convection induced mixing and solubility trapping. Most of the injected CO2 remains within a radial distance of 2500 m at the end of 10,000 years and is sequestered and immobilized by solubility and residual trapping. Mineral trapping via secondary carbonates, including calcite, magnesite

  3. In situ fluorescence spectroscopy correlates ionomer degradation to reactive oxygen species generation in an operating fuel cell.

    PubMed

    Prabhakaran, Venkateshkumar; Arges, Christopher G; Ramani, Vijay

    2013-11-21

    The rate of generation of reactive oxygen species (ROS) within the polymer electrolyte membrane (PEM) of an operating proton exchange member fuel cell (PEMFC) was monitored using in situ fluorescence spectroscopy. A modified barrier layer was introduced between the PEM and the electrocatalyst layer to eliminate metal-dye interactions and fluorescence resonance energy transfer (FRET) effects during measurements. Standard fuel cell operating parameters (temperature, relative humidity, and electrode potential) were systematically varied to evaluate their influence on the rate of ROS generation during PEMFC operation. Independently, the macroscopic rate of PEM degradation was measured by monitoring the fluoride ion emission rate (FER) in the effluent stream at each operating condition. The ROS generation reaction rate constant (estimated from the in situ fluorescence experiments) correlated perfectly with the measured FER across all conditions, demonstrating unequivocally for the first time that a direct correlation exists between in situ ROS generation and PEM macroscopic degradation. The activation energy for ROS generation within the PEM was estimated to be 12.5 kJ mol(-1).

  4. Formation, reactivity and aging of amorphous ferric oxides in the presence of model and membrane bioreactor derived organics.

    PubMed

    Bligh, Mark W; Maheshwari, Pradeep; David Waite, T

    2017-11-01

    Iron salts are routinely dosed in wastewater treatment as a means of achieving effluent phosphorous concentration goals. The iron oxides that result from addition of iron salts partake in various reactions, including reductive dissolution and phosphate adsorption. The reactivity of these oxides is controlled by the conditions of formation and the processes, such as aggregation, that lead to a reduction in accessible surface sites following formation. The presence of organic compounds is expected to significantly impact these processes in a number of ways. In this study, amorphous ferric oxide (AFO) reactivity and aging was investigated following the addition of ferric iron (Fe(III)) to three solution systems: two synthetic buffered systems, either containing no organic or containing alginate, and a supernatant system containing soluble microbial products (SMPs) sourced from a membrane bioreactor (MBR). Reactivity of the Fe(III) phases in these systems at various times (1-60 min) following Fe(III) addition was quantified by determining the rate constants for ascorbate-mediated reductive dissolution over short (5 min) and long (60 min) dissolution periods and for a range (0.5-10 mM) of ascorbate concentrations. AFO particle size was monitored using dynamic light scattering during the aging and dissolution periods. In the presence of alginate, AFO particles appeared to be stabilized against aggregation. However, aging in the alginate system was remarkably similar to the inorganic system where aging is associated with aggregation. An aging mechanism involving restructuring within the alginate-AFO assemblage was proposed. In the presence of SMPs, a greater diversity of Fe(III) phases was evident with both a small labile pool of organically complexed Fe(III) and a polydisperse population of stabilized AFO particles present. The prevalence of low molecular weight organic molecules facilitated stabilization of the Fe(III) oxyhydroxides formed but subsequent aging

  5. DETERMINATION OF SPECIFIC NEUTRONIC REACTIVITY

    DOEpatents

    Dessauer, G.

    1960-05-10

    A method is given for production-line determination of the specific neutronic reactivity of such objects as individual nuclear fuel or neutron absorber elements and is notable for rapidity and apparatus simplicity. The object is incorporated in a slightly sub-critical chain fission reactive assembly having a discrete neutron source, thereby establishing a K/sub eff/ within the crucial range of 0.95 to 0.995. The range was found to afford, uniquely, flux- transient damped response in a niatter of seconds simultaneously with acceptable analytical sensitivity. The resulting neutron flux measured at a situs spaced from both object and source within the assembly serves as a calibrable indication of said reactivity.

  6. Precursor soot synthesis of fullerenes and nanotubes without formation of carbonaceous soot

    DOEpatents

    Reilly, Peter T. A.

    2007-03-20

    The present invention is a method for the synthesis of fullerenes and/or nanotubes from precursor soot without the formation of carbonaceous soot. The method comprises the pyrolysis of a hydrocarbon fuel source by heating the fuel source at a sufficient temperature to transform the fuel source to a condensed hydrocarbon. The condensed hydrocarbon is a reaction medium comprising precursor soot wherein hydrogen exchange occurs within the reaction medium to form reactive radicals which cause continuous rearrangement of the carbon skeletal structure of the condensed hydrocarbon. Then, inducing dehydrogenation of the precursor soot to form fullerenes and/or nanotubes free from the formation of carbonaceous soot by continued heating at the sufficient temperature and by regulating the carbon to hydrogen ratio within the reaction medium. The dehydrogenation process produces hydrogen gas as a by-product. The method of the present invention in another embodiment is also a continuous synthesis process having a continuous supply of the fuel source. The method of the present invention can also be a continuous cyclic synthesis process wherein the reaction medium is fed back into the system as a fuel source after extraction of the fullerenes and/or nanotube products. The method of the present invention is also a method for producing precursor soot in bulk quantity, then forming fullerenes and/or nanotubes from the precursor bulk.

  7. Sulfide Homeostasis and Nitroxyl Intersect via Formation of Reactive Sulfur Species in Staphylococcus aureus.

    PubMed

    Peng, Hui; Shen, Jiangchuan; Edmonds, Katherine A; Luebke, Justin L; Hickey, Anne K; Palmer, Lauren D; Chang, Feng-Ming James; Bruce, Kevin A; Kehl-Fie, Thomas E; Skaar, Eric P; Giedroc, David P

    2017-01-01

    Staphylococcus aureus is a commensal human pathogen and a major cause of nosocomial infections. As gaseous signaling molecules, endogenous hydrogen sulfide (H 2 S) and nitric oxide (NO·) protect S. aureus from antibiotic stress synergistically, which we propose involves the intermediacy of nitroxyl (HNO). Here, we examine the effect of exogenous sulfide and HNO on the transcriptome and the formation of low-molecular-weight (LMW) thiol persulfides of bacillithiol, cysteine, and coenzyme A as representative of reactive sulfur species (RSS) in wild-type and Δ cstR strains of S. aureus . CstR is a per- and polysulfide sensor that controls the expression of a sulfide oxidation and detoxification system. As anticipated, exogenous sulfide induces the cst operon but also indirectly represses much of the CymR regulon which controls cysteine metabolism. A zinc limitation response is also observed, linking sulfide homeostasis to zinc bioavailability. Cellular RSS levels impact the expression of a number of virulence factors, including the exotoxins, particularly apparent in the Δ cstR strain. HNO, like sulfide, induces the cst operon as well as other genes regulated by exogenous sulfide, a finding that is traced to a direct reaction of CstR with HNO and to an endogenous perturbation in cellular RSS, possibly originating from disassembly of Fe-S clusters. More broadly, HNO induces a transcriptomic response to Fe overload, Cu toxicity, and reactive oxygen species and reactive nitrogen species and shares similarity with the sigB regulon. This work reveals an H 2 S/NO· interplay in S. aureus that impacts transition metal homeostasis and virulence gene expression. IMPORTANCE Hydrogen sulfide (H 2 S) is a toxic molecule and a recently described gasotransmitter in vertebrates whose function in bacteria is not well understood. In this work, we describe the transcriptomic response of the major human pathogen Staphylococcus aureus to quantified changes in levels of cellular

  8. The prospect of uranium nitride (UN) and mixed nitride fuel (UN-PuN) for pressurized water reactor

    NASA Astrophysics Data System (ADS)

    Syarifah, Ratna Dewi; Suud, Zaki

    2015-09-01

    Design study of small Pressurized Water Reactors (PWRs) core loaded with uranium nitride fuel (UN) and mixed nitride fuel (UN-PuN), Pa-231 as burnable poison, and Americium has been performed. Pa-231 known as actinide material, have large capture cross section and can be converted into fissile material that can be utilized to reduce excess reactivity. Americium is one of minor actinides with long half life. The objective of adding americium is to decrease nuclear spent fuel in the world. The neutronic analysis results show that mixed nitride fuel have k-inf greater than uranium nitride fuel. It is caused by the addition of Pu-239 in mixed nitride fuel. In fuel fraction analysis, for uranium nitride fuel, the optimum volume fractions are 45% fuel fraction, 10% cladding and 45% moderator. In case of UN-PuN fuel, the optimum volume fractions are 30% fuel fraction, 10% cladding and 60% coolant/ moderator. The addition of Pa-231 as burnable poison for UN fuel, enrichment U-235 5%, with Pa-231 1.6% has k-inf more than one and excess reactivity of 14.45%. And for mixed nitride fuel, the lowest value of reactivity swing is when enrichment (U-235+Pu) 8% with Pa-231 0.4%, the excess reactivity value 13,76%. The fuel pin analyze for the addition of Americium, the excess reactivity value is lower than before, because Americium absorb the neutron. For UN fuel, enrichment U-235 8%, Pa-231 1.6% and Am 0.5%, the excess reactivity is 4.86%. And for mixed nitride fuel, when enrichment (U-235+Pu) 13%, Pa-231 0.4% and Am 0.1%, the excess reactivity is 11.94%. For core configuration, it is better to use heterogeneous than homogeneous core configuration, because the radial power distribution is better.

  9. Reactive transport model of the formation of oxide-type Ni-laterite profiles (Punta Gorda, Moa Bay, Cuba)

    NASA Astrophysics Data System (ADS)

    Domènech, Cristina; Galí, Salvador; Villanova-de-Benavent, Cristina; Soler, Josep M.; Proenza, Joaquín A.

    2017-10-01

    Oxide-type Ni-laterite deposits are characterized by a dominant limonite zone with goethite as the economically most important Ni ore mineral and a thin zone of hydrous Mg silicate-rich saprolite beneath the magnesium discontinuity. Fe, less soluble, is mainly retained forming goethite, while Ni is redeposited at greater depth in a Fe(III) and Ni-rich serpentine (serpentine II) or in goethite, where it adsorbs or substitutes for Fe in the mineral structure. Here, a 1D reactive transport model, using CrunchFlow, of Punta Gorda oxide-type Ni-laterite deposit (Moa Bay, Cuba) formation is presented. The model reproduces the formation of the different laterite horizons in the profile from an initial, partially serpentinized peridotite, in 106 years, validating the conceptual model of the formation of this kind of deposits in which a narrow saprolite horizon rich in Ni-bearing serpentine is formed above peridotite parent rock and a thick limonite horizon is formed over saprolite. Results also confirm that sorption of Ni onto goethite can explain the weight percent of Ni found in the Moa goethite. Sensitivity analyses accounting for the effect of key parameters (composition, dissolution rate, carbonate concentration, quartz precipitation) on the model results are also presented. It is found that aqueous carbonate concentration and quartz precipitation significantly affects the laterization process rate, while the effect of the composition of secondary serpentine or of mineral dissolution rates is minor. The results of this reactive transport modeling have proven useful to validate the conceptual models derived from field observations.

  10. Role of sulfonation in the stability, reactivity, and selectivity of poly(ether imide) used to develop ion exchange membranes: DFT study with application to fuel cells.

    PubMed

    López-Chávez, Ernesto; Peña-Castañeda, Yésica A; de la Portilla-Maldonado, L César; Guzmán-Pantoja, Javier; Martínez-Magadán, José Manuel; Oviedo-Roa, Raúl; de Landa Castillo-Alvarado, Fray; Cruz-Torres, Armando

    2014-07-01

    The design of polymer electrolyte membranes for fuel cells must satisfy two equally important fundamental principles: optimization of the reactivity and the selectivity in order to improve the ion transport properties of the membrane as well as its long-term stability in the hydrated state at high temperature (above 100 °C). A study utilizing density functional theory (DFT) to elucidate the effect of the degree of sulfonation on the chemical stability, reactivity, and selectivity of poly(ether imide) (PEI), which allows the ionic transport properties of the membrane to be predicted, is reported here. Sulfonated poly(ether imide) (SPEI) structures with (-SO3H) n (n = 1-6) groups were built and optimized in order to calculate the above properties as functions of the number of sulfonyl groups. A comparative study demonstrated that the SPEI with four sulfonyl groups in its backbone is the polymer with the properties best suited for use in fuel cells.

  11. Fuel quality combustion analysis

    NASA Technical Reports Server (NTRS)

    Naegeli, D. W.; Moses, C. A.

    1979-01-01

    A high pressure research combustor operating over a wide range of burner inlet conditions was used to determine the effects of fuel molecular structure on soot formation. Six test fuels with equal hydrogen content (12.8%) were blended to stress different molecular components and final boiling points. The fuels containing high concentrations (20%) of polycyclic aromatics and partially saturated polycyclic structures such as tetralin, produced more soot than would be expected from a hydrogen content correlation for typical petroleum based fuels. Fuels containing naphthenes such as decalin agreed with the hydrogen content correlation. The contribution of polycyclic aromatics to soot formation was equivalent to a reduction in fuel hydrogen content of about one percent. The fuel sensitivity to soot formation due to the polycyclic aromatic contribution decreased as burner inlet pressure and fuel/air ratio increased.

  12. Decreased PCDD/F formation when co-firing a waste fuel and biomass in a CFB boiler by addition of sulphates or municipal sewage sludge

    DOE Office of Scientific and Technical Information (OSTI.GOV)

    Åmand, Lars-Erik; Kassman, Håkan, E-mail: hakan.kassman@vattenfall.com

    2013-08-15

    Highlights: • Two strategies to reduce PCDD/F formation when co-firing solid recovered fuel (SRF) and biomass. • They were co-combustion with municipal sewage sludge (MSS) and addition of ammonium sulphate. • PCDD/Fs were significantly reduced for a biomass rich in chlorine when adding ammonium sulphate. • MSS had a suppressing effect on PCDD/F formation during co-combustion with SRF. • A link is presented between gaseous alkali chlorides, chlorine in deposits and PCDD/F formation. - Abstract: Polychlorinated dibenzo-p-dioxins (PCDDs) and polychlorinated dibenzofurans (PCDFs) are formed during waste incineration and in waste-to-energy boilers. Incomplete combustion, too short residence times at low combustionmore » temperatures (<700 °C), incineration of electronic waste and plastic waste containing chlorine are all factors influencing the formation of PCDD/Fs in boilers. The impact of chlorine and catalysing metals (such as copper and iron) in the fuel on PCDD/F formation was studied in a 12 MW{sub th} circulating fluidised bed (CFB) boiler. The PCDD/F concentrations in the raw gas after the convection pass of the boiler and in the fly ashes were compared. The fuel types were a so-called clean biomass with low content of chlorine, biomass with enhanced content of chlorine from supply of PVC, and solid recovered fuel (SRF) which is a waste fuel containing higher concentrations of both chlorine, and catalysing metals. The PCDD/F formation increased for the biomass with enhanced chlorine content and it was significantly reduced in the raw gas as well as in the fly ashes by injection of ammonium sulphate. A link, the alkali chloride track, is demonstrated between the level of alkali chlorides in the gas phase, the chlorine content in the deposits in the convection pass and finally the PCDD/F formation. The formation of PCDD/Fs was also significantly reduced during co-combustion of SRF with municipal sewage sludge (MSS) compared to when SRF was fired

  13. Stack configurations for tubular solid oxide fuel cells

    DOEpatents

    Armstrong, Timothy R.; Trammell, Michael P.; Marasco, Joseph A.

    2010-08-31

    A fuel cell unit includes an array of solid oxide fuel cell tubes having porous metallic exterior surfaces, interior fuel cell layers, and interior surfaces, each of the tubes having at least one open end; and, at least one header in operable communication with the array of solid oxide fuel cell tubes for directing a first reactive gas into contact with the porous metallic exterior surfaces and for directing a second reactive gas into contact with the interior surfaces, the header further including at least one busbar disposed in electrical contact with at least one surface selected from the group consisting of the porous metallic exterior surfaces and the interior surfaces.

  14. Formation and Detoxification of Reactive Oxygen Species

    ERIC Educational Resources Information Center

    Kuciel, Radoslawa; Mazurkiewicz, Aleksandra

    2004-01-01

    A model of reactive oxygen species metabolism is proposed as a laboratory exercise for students. The superoxide ion in this model is generated during the reaction of oxidation of xanthine, catalyzed by xanthine oxidase. The effect of catalase, superoxide dismutase, and allopurinol on superoxide ion generation and removal in this system is also…

  15. Impact of Microcystis aeruginosa Exudate on the Formation and Reactivity of Iron Oxide Particles Following Fe(II) and Fe(III) Addition.

    PubMed

    Garg, Shikha; Wang, Kai; Waite, T David

    2017-05-16

    Impact of the organic exudate secreted by a toxic strain of Microcystis aeruginosa on the formation, aggregation, and reactivity of iron oxides that are formed on addition of Fe(II) and Fe(III) salts to a solution of the exudate is investigated in this study. The exudate has a stabilizing effect on the particles formed with decreased aggregation rate and increased critical coagulant concentration required for diffusion-limited aggregation to occur. These results suggest that the presence of algal exudates from Microcystis aeruginosa may significantly influence particle aggregation both in natural water bodies where Fe(II) oxidation results in oxide formation and in water treatment where Fe(III) salts are commonly added to aid particle growth and contaminant capture. The exudate also affects the reactivity of iron oxide particles formed with exudate coated particles undergoing faster dissolution than bare iron oxide particles. This has implications to iron availability, especially where algae procure iron via dissolution of iron oxide particles as a result of either reaction with reducing moieties, light-mediated ligand to metal charge transfer and/or reaction with siderophores. The increased reactivity of exudate coated particles is attributed, for the most part, to the smaller size of these particles, higher surface area and increased accessibility of surface sites.

  16. Comparisons of sodium void and Doppler reactivities in large oxide and carbide LMFBRs

    DOE Office of Scientific and Technical Information (OSTI.GOV)

    Su, S F

    Sodium void and Doppler reactivities in two full scale (3000 MWth) LMFBRs are analyzed; one is fueled with UO/sub 2/ - PuO/sub 2/ and the other is fueled with UC - PuC. These two reactors are analyzed for beginning of life as well as for beginning and end of equilibrium cycle conditions, and the variations of these two safety parameters with burnup are explained. A series of comperative analyses of these two and several hypothetical reactors are carried out to determine how differences in fuel type, sodium content, and heavy metal concentration between an oxide and a carbide reactor affectmore » their sodium void and Doppler reactivities. The effect of the presence of conrol poison on sodium void reactivity is also addressed.« less

  17. A Membrane-Free Neutral pH Formate Fuel Cell Enabled by a Selective Nickel Sulfide Oxygen Reduction Catalyst.

    PubMed

    Yan, Bing; Concannon, Nolan M; Milshtein, Jarrod D; Brushett, Fikile R; Surendranath, Yogesh

    2017-06-19

    Polymer electrolyte membranes employed in contemporary fuel cells severely limit device design and restrict catalyst choice, but are essential for preventing short-circuiting reactions at unselective anode and cathode catalysts. Herein, we report that nickel sulfide Ni 3 S 2 is a highly selective catalyst for the oxygen reduction reaction in the presence of 1.0 m formate. We combine this selective cathode with a carbon-supported palladium (Pd/C) anode to establish a membrane-free, room-temperature formate fuel cell that operates under benign neutral pH conditions. Proof-of-concept cells display open circuit voltages of approximately 0.7 V and peak power values greater than 1 mW cm -2 , significantly outperforming the identical device employing an unselective platinum (Pt) cathode. The work establishes the power of selective catalysis to enable versatile membrane-free fuel cells. © 2017 Wiley-VCH Verlag GmbH & Co. KGaA, Weinheim.

  18. Impact of Reactor Operating Parameters on Cask Reactivity in BWR Burnup Credit

    DOE Office of Scientific and Technical Information (OSTI.GOV)

    Ilas, Germina; Betzler, Benjamin R; Ade, Brian J

    This paper discusses the effect of reactor operating parameters used in fuel depletion calculations on spent fuel cask reactivity, with relevance for boiling-water reactor (BWR) burnup credit (BUC) applications. Assessments that used generic BWR fuel assembly and spent fuel cask configurations are presented. The considered operating parameters, which were independently varied in the depletion simulations for the assembly, included fuel temperature, bypass water density, specific power, and operating history. Different operating history scenarios were considered for the assembly depletion to determine the effect of relative power distribution during the irradiation cycles, as well as the downtime between cycles. Depletion, decay,more » and criticality simulations were performed using computer codes and associated nuclear data within the SCALE code system. Results quantifying the dependence of cask reactivity on the assembly depletion parameters are presented herein.« less

  19. Anxiety-induced plasma norepinephrine augmentation increases reactive oxygen species formation by monocytes in essential hypertension.

    PubMed

    Yasunari, Kenichi; Matsui, Tokuzo; Maeda, Kensaku; Nakamura, Munehiro; Watanabe, Takanori; Kiriike, Nobuo

    2006-06-01

    An association between anxiety and depression and increased blood pressure (BP) and cardiovascular disease risk has not been firmly established. We examined the hypothesis that anxiety and depression lead to increased plasma catecholamines and to production of reactive oxygen species (ROS) by mononuclear cells (MNC) in hypertensive individuals. We also studied the role of BP in this effect. In Protocol 1, a cross-sectional study was performed in 146 hypertensive patients to evaluate whether anxiety and depression affect BP and ROS formation by MNC through increasing plasma catecholamines. In Protocol 2, a 6-month randomized controlled trial using a subtherapeutic dose of the alpha(1)-adrenergic receptor antagonist doxazosin (1 mg/day) versus placebo in 86 patients with essential hypertension was performed to determine whether the increase in ROS formation by MNC was independent of BP. In Protocol 1, a significant relationship was observed between the following: trait anxiety and plasma norepinephrine (r = 0.32, P < .01); plasma norepinephrine and ROS formation by MNC (r = 0.36, P < .01); and plasma norepinephrine and systolic, diastolic, and mean BP (r = 0.17, P = .04; r = 0.26, P = .02; r = 0.23, P < .01, respectively). In Protocol 2, subtherapeutic doxazosin treatment (1 mg/day) had no significant effect on BP. However doxazosin significantly decreased ROS formation by MNC compared with placebo (P < .01). Trait anxiety may increase plasma norepinephrine and increase ROS formation by MNC independent of BP in hypertensive patients.

  20. MOX fuel assembly design

    DOE Office of Scientific and Technical Information (OSTI.GOV)

    Reese, A.P.; Crowther, R.L. Jr.

    1992-02-18

    This patent describes improvement in a boiling water reactor core having a plurality of vertically upstanding fuel bundles; each fuel bundle containing longitudinally extending sealed rods with fissile material therein; the improvement comprises the fissile material including a mixture of uranium and recovered plutonium in rods of the fuel bundle at locations other than the corners of the fuel bundle; and, neutron absorbing material being located in rods of the fuel bundle at rod locations adjacent the corners of the fuel bundles whereby the neutron absorbing material has decreased shielding from the plutonium and maximum exposure to thermal neutrons formore » shaping the cold reactivity shutdown zone in the fuel bundle.« less

  1. Bonding reactivity descriptor from conceptual density functional theory and its applications to elucidate bonding formation

    NASA Astrophysics Data System (ADS)

    Zhou, Pan-Pan; Liu, Shubin; Ayers, Paul W.; Zhang, Rui-Qin

    2017-10-01

    Condensed-to-atom Fukui functions which reflect the atomic reactivity like the tendency susceptible to either nucleophilic or electrophilic attack demonstrate the bonding trend of an atom in a molecule. Accordingly, Fukui functions based concepts, that is, bonding reactivity descriptors which reveal the bonding properties of molecules in the reaction were put forward and then applied to pericyclic and cluster reactions to confirm their effectiveness and reliability. In terms of the results from the bonding descriptors, a covalent bond can readily be predicted between two atoms with large Fukui functions (i.e., one governs nucleophilic attack while the other one governs electrophilic attack, or both of them govern radical attacks) for pericyclic reactions. For SinOm clusters' reactions, the clusters with a low O atom ratio readily form a bond between two Si atoms with big values of their Fukui functions in which they respectively govern nucleophilic and electrophilic attacks or both govern radical attacks. Also, our results from bonding descriptors show that Si—Si bonds can be formed via the radical mechanism between two Si atoms, and formations of Si—O and O—O bonds are possible when the O content is high. These results conform with experimental findings and can help experimentalists design appropriate clusters to synthesize Si nanowires with high yields. The approach established in this work could be generalized and applied to study reactivity properties for other systems.

  2. Reactor physics behavior of transuranic-bearing TRISO-particle fuel in a pressurized water reactor

    DOE Office of Scientific and Technical Information (OSTI.GOV)

    Pope, M. A.; Sen, R. S.; Ougouag, A. M.

    2012-07-01

    Calculations have been performed to assess the neutronic behavior of pins of Fully-Ceramic Micro-encapsulated (FCM) fuel in otherwise-conventional Pressurized Water Reactor (PWR) fuel pins. The FCM fuel contains transuranic (TRU) - only oxide fuel in tri-isotropic (TRISO) particles with the TRU loading coming from the spent fuel of a conventional LWR after 5 years of cooling. Use of the TRISO particle fuel would provide an additional barrier to fission product release in the event of cladding failure. Depletion calculations were performed to evaluate reactivity-limited burnup of the TRU-only FCM fuel. These calculations showed that due to relatively little space availablemore » for fuel, the achievable burnup with these pins alone is quite small. Various reactivity parameters were also evaluated at each burnup step including moderator temperature coefficient (MTC), Doppler, and soluble boron worth. These were compared to reference UO{sub 2} and MOX unit cells. The TRU-only FCM fuel exhibits degraded MTC and Doppler coefficients relative to UO{sub 2} and MOX. Also, the reactivity effects of coolant voiding suggest that the behavior of this fuel would be similar to a MOX fuel of very high plutonium fraction, which are known to have positive void reactivity. In general, loading of TRU-only FCM fuel into an assembly without significant quantities of uranium presents challenges to the reactor design. However, if such FCM fuel pins are included in a heterogeneous assembly alongside LEU fuel pins, the overall reactivity behavior would be dominated by the uranium pins while attractive TRU destruction performance levels in the TRU-only FCM fuel pins is retained. From this work, it is concluded that use of heterogeneous assemblies such as these appears feasible from a preliminary reactor physics standpoint. (authors)« less

  3. Reactor Physics Behavior of Transuranic-Bearing TRISO-Particle Fuel in a Pressurized Water Reactor

    DOE Office of Scientific and Technical Information (OSTI.GOV)

    Michael A. Pope; R. Sonat Sen; Abderrafi M. Ougouag

    2012-04-01

    Calculations have been performed to assess the neutronic behavior of pins of Fully-Ceramic Micro-encapsulated (FCM) fuel in otherwise-conventional Pressurized Water Reactor (PWR) fuel pins. The FCM fuel contains transuranic (TRU)-only oxide fuel in tri-isotropic (TRISO) particles with the TRU loading coming from the spent fuel of a conventional LWR after 5 years of cooling. Use of the TRISO particle fuel would provide an additional barrier to fission product release in the event of cladding failure. Depletion calculations were performed to evaluate reactivity-limited burnup of the TRU-only FCM fuel. These calculations showed that due to relatively little space available for fuel,more » the achievable burnup with these pins alone is quite small. Various reactivity parameters were also evaluated at each burnup step including moderator temperature coefficient (MTC), Doppler, and soluble boron worth. These were compared to reference UO{sub 2} and MOX unit cells. The TRU-only FCM fuel exhibits degraded MTC and Doppler coefficients relative to UO{sub 2} and MOX. Also, the reactivity effects of coolant voiding suggest that the behavior of this fuel would be similar to a MOX fuel of very high plutonium fraction, which are known to have positive void reactivity. In general, loading of TRU-only FCM fuel into an assembly without significant quantities of uranium presents challenges to the reactor design. However, if such FCM fuel pins are included in a heterogeneous assembly alongside LEU fuel pins, the overall reactivity behavior would be dominated by the uranium pins while attractive TRU destruction performance levels in the TRU-only FCM fuel pins is. From this work, it is concluded that use of heterogeneous assemblies such as these appears feasible from a preliminary reactor physics standpoint.« less

  4. Secondary Organic Aerosol Formation from 2-Methyl-3-Buten-2-ol Photooxidation: Evidence of Acid-Catalyzed Reactive Uptake of Epoxides

    DOE Office of Scientific and Technical Information (OSTI.GOV)

    Zhang, Haofei; Zhang, Zhenfa; Cui, Tianqu

    2014-04-08

    Secondary organic aerosol (SOA) formation from 2-methyl-3-buten-2-ol (MBO) photooxidation has recently been observed in both field and laboratory studies. Similar to isoprene, MBO-derived SOA increases with elevated aerosol acidity in the absence of nitric oxide; therefore, an epoxide intermediate, (3,3-dimethyloxiran-2-yl)methanol (MBO epoxide) was synthesized and tentatively proposed here to explain this enhancement. In the present study, the potential of the synthetic MBO epoxide to form SOA via reactive uptake was systematically examined. SOA was observed only in the presence of acidic aerosols. Major SOA constituents, 2,3-dihydroxyisopentanol (DHIP) and MBO-derived organosulfate isomers, were chemically characterized in both laboratory-generated SOA and inmore » ambient fine aerosols collected from the BEACHON-RoMBAS field campaign during summer 2011, where MBO emissions are substantial. Our results support epoxides as potential products of MBO photooxidation leading to formation of atmospheric SOA and suggest that reactive uptake of epoxides may generally explain acid enhancement of SOA observed from other biogenic hydrocarbons.« less

  5. Percutaneous Biopsy and Radiofrequency Ablation of Osteoid Osteoma with Excess Reactive New Bone Formation and Cortical Thickening Using a Battery-Powered Drill for Access: A Technical Note

    DOE Office of Scientific and Technical Information (OSTI.GOV)

    Filippiadis, D., E-mail: dfilippiadis@yahoo.gr; Gkizas, C., E-mail: chgkizas@gmail.com; Kostantos, C., E-mail: drkarpen@yahoo.gr

    PurposeTo report our experience with the use of a battery-powered drill in biopsy and radiofrequency ablation of osteoid osteoma with excess reactive new bone formation. The battery-powered drill enables obtaining the sample while drilling.Materials and MethodsDuring the last 18 months, 14 patients suffering from painful osteoid osteoma with excess reactive new bone formation underwent CT-guided biopsy and radiofrequency ablation. In order to assess and sample the nidus of the osteoid osteoma, a battery-powered drill was used. Biopsy was performed in all cases. Then, coaxially, a radiofrequency electrode was inserted and ablation was performed with osteoid osteoma protocol. Procedure time (i.e., drillingmore » including local anesthesia), amount of scans, technical and clinical success, and the results of biopsy are reported.ResultsAccess to the nidus through the excess reactive new bone formation was feasible in all cases. Median procedure time was 50.5 min. Histologic verification of osteoid osteoma was performed in all cases. Radiofrequency electrode was coaxially inserted within the nidus and ablation was successfully performed in all lesions. Median amount CT scans, performed to control correct positioning of the drill and precise electrode placement within the nidus was 11. There were no complications or material failure reported in our study.ConclusionsThe use of battery-powered drill facilitates access to the osteoid osteoma nidus in cases where excess reactive new bone formation is present. Biopsy needle can be used for channel creation during the access offering at the same time the possibility to extract bone samples.« less

  6. Sulfide Homeostasis and Nitroxyl Intersect via Formation of Reactive Sulfur Species in Staphylococcus aureus

    PubMed Central

    Peng, Hui; Shen, Jiangchuan; Edmonds, Katherine A.; Luebke, Justin L.; Hickey, Anne K.; Palmer, Lauren D.; Chang, Feng-Ming James; Bruce, Kevin A.; Kehl-Fie, Thomas E.; Skaar, Eric P.

    2017-01-01

    ABSTRACT Staphylococcus aureus is a commensal human pathogen and a major cause of nosocomial infections. As gaseous signaling molecules, endogenous hydrogen sulfide (H2S) and nitric oxide (NO·) protect S. aureus from antibiotic stress synergistically, which we propose involves the intermediacy of nitroxyl (HNO). Here, we examine the effect of exogenous sulfide and HNO on the transcriptome and the formation of low-molecular-weight (LMW) thiol persulfides of bacillithiol, cysteine, and coenzyme A as representative of reactive sulfur species (RSS) in wild-type and ΔcstR strains of S. aureus. CstR is a per- and polysulfide sensor that controls the expression of a sulfide oxidation and detoxification system. As anticipated, exogenous sulfide induces the cst operon but also indirectly represses much of the CymR regulon which controls cysteine metabolism. A zinc limitation response is also observed, linking sulfide homeostasis to zinc bioavailability. Cellular RSS levels impact the expression of a number of virulence factors, including the exotoxins, particularly apparent in the ΔcstR strain. HNO, like sulfide, induces the cst operon as well as other genes regulated by exogenous sulfide, a finding that is traced to a direct reaction of CstR with HNO and to an endogenous perturbation in cellular RSS, possibly originating from disassembly of Fe-S clusters. More broadly, HNO induces a transcriptomic response to Fe overload, Cu toxicity, and reactive oxygen species and reactive nitrogen species and shares similarity with the sigB regulon. This work reveals an H2S/NO· interplay in S. aureus that impacts transition metal homeostasis and virulence gene expression. IMPORTANCE Hydrogen sulfide (H2S) is a toxic molecule and a recently described gasotransmitter in vertebrates whose function in bacteria is not well understood. In this work, we describe the transcriptomic response of the major human pathogen Staphylococcus aureus to quantified changes in levels of cellular

  7. Evolution and current understanding of physicochemical characterization of particulate matter from reactivity controlled compression ignition combustion on a multicylinder light-duty engine

    DOE PAGES

    Storey, John Morse; Curran, Scott J.; Lewis, Samuel A.; ...

    2016-08-04

    Low-temperature compression ignition combustion can result in nearly smokeless combustion, as indicated by a smoke meter or other forms of soot measurement that rely on absorbance due to elemental carbon content. Highly premixed low-temperature combustion modes do not form particulate matter in the traditional pathways seen with conventional diesel combustion. Previous research into reactivity controlled compression ignition particulate matter has shown, despite a near zero smoke number, significant mass can be collected on filter media used for particulate matter certification measurement. In addition, particulate matter size distributions reveal that a fraction of the particles survive heated double-dilution conditions. This papermore » summarizes research completed at Oak Ridge National Laboratory to date on characterizing the nature, chemistry and aftertreatment considerations of reactivity controlled compression ignition particulate matter and presents new research highlighting the importance of injection strategy and fuel composition on reactivity controlled compression ignition particulate matter formation. Particle size measurements and the transmission electron microscopy results do show the presence of soot particles; however, the elemental carbon fraction was, in many cases, within the uncertainty of the thermal–optical measurement. Particulate matter emitted during reactivity controlled compression ignition operation was also collected with a novel sampling technique and analyzed by thermal desorption or pyrolysis gas chromatography mass spectroscopy. Particulate matter speciation results indicated that the high boiling range of diesel hydrocarbons was likely responsible for the particulate matter mass captured on the filter media. Finally, to investigate potential fuel chemistry effects, either ethanol or biodiesel were incorporated to assess whether oxygenated fuels may enhance particle emission reduction.« less

  8. Evolution and current understanding of physicochemical characterization of particulate matter from reactivity controlled compression ignition combustion on a multicylinder light-duty engine

    DOE Office of Scientific and Technical Information (OSTI.GOV)

    Storey, John Morse; Curran, Scott J.; Lewis, Samuel A.

    Low-temperature compression ignition combustion can result in nearly smokeless combustion, as indicated by a smoke meter or other forms of soot measurement that rely on absorbance due to elemental carbon content. Highly premixed low-temperature combustion modes do not form particulate matter in the traditional pathways seen with conventional diesel combustion. Previous research into reactivity controlled compression ignition particulate matter has shown, despite a near zero smoke number, significant mass can be collected on filter media used for particulate matter certification measurement. In addition, particulate matter size distributions reveal that a fraction of the particles survive heated double-dilution conditions. This papermore » summarizes research completed at Oak Ridge National Laboratory to date on characterizing the nature, chemistry and aftertreatment considerations of reactivity controlled compression ignition particulate matter and presents new research highlighting the importance of injection strategy and fuel composition on reactivity controlled compression ignition particulate matter formation. Particle size measurements and the transmission electron microscopy results do show the presence of soot particles; however, the elemental carbon fraction was, in many cases, within the uncertainty of the thermal–optical measurement. Particulate matter emitted during reactivity controlled compression ignition operation was also collected with a novel sampling technique and analyzed by thermal desorption or pyrolysis gas chromatography mass spectroscopy. Particulate matter speciation results indicated that the high boiling range of diesel hydrocarbons was likely responsible for the particulate matter mass captured on the filter media. Finally, to investigate potential fuel chemistry effects, either ethanol or biodiesel were incorporated to assess whether oxygenated fuels may enhance particle emission reduction.« less

  9. Method and apparatus for measuring reactivity of fissile material

    DOEpatents

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

    1982-09-07

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

  10. Evaluation of fuel injection configurations to control carbon and soot formation in small GT combustors

    NASA Technical Reports Server (NTRS)

    Rosfjord, T. J.; Briehl, D.

    1982-01-01

    An experimental program to investigate hardware configurations which attempt to minimize carbon formation and soot production without sacrificing performance in small gas turbine combustors has been conducted at the United Technologies Research Center. Four fuel injectors, embodying either airblast atomization, pressure atomization, or fuel vaporization techniques, were combined with nozzle air swirlers and injector sheaths, and evaluated at test conditions which included and extended beyond standard small gas turbine combustor operation. Extensive testing was accomplished with configurations embodying either a spill return or a T-vaporizer injector. Minimal carbon deposits were observed on the spill return nozzle for tests using either Jet A or ERBS test fuel. A more extensive film of soft carbon was observed on the vaporizer after operation at standard engine conditions, with large carbonaceous growths forming on the device during off-design operation at low combustor inlet temperature. Test results indicated that smoke emission levels depended on the combustor fluid mechanics (especially the mixing rates near the injector), the atomization quality of the injector and the fuel hydrogen content.

  11. Reactive Desorption and Radiative Association as Possible Drivers of Complex Molecule Formation in the Cold Interstellar Medium

    NASA Astrophysics Data System (ADS)

    Vasyunin, A. I.; Herbst, Eric

    2013-05-01

    The recent discovery of terrestrial-type organic species such as methyl formate and dimethyl ether in the cold interstellar gas has proved that the formation of organic matter in the Galaxy begins at a much earlier stage of star formation than was previously thought. This discovery represents a challenge for astrochemical modelers. The abundances of these molecules cannot be explained by the previously developed "warm-up" scenario, in which organic molecules are formed via diffusive chemistry on surfaces of interstellar grains starting at 30 K, and then released to the gas at higher temperatures during later stages of star formation. In this article, we investigate an alternative scenario in which complex organic species are formed via a sequence of gas-phase reactions between precursor species formed on grain surfaces and then ejected into the gas via efficient reactive desorption, a process in which non-thermal desorption occurs as a result of conversion of the exothermicity of chemical reactions into the ejection of products from the surface. The proposed scenario leads to reasonable if somewhat mixed results at temperatures as low as 10 K and may be considered as a step toward the explanation of abundances of terrestrial-like organic species observed during the earliest stages of star formation.

  12. NUCLEAR FUEL MATERIAL

    DOEpatents

    Goeddel, W.V.

    1962-06-26

    An improved method is given for making the carbides of nuclear fuel material. The metal of the fuel material, which may be a fissile and/or fertile material, is transformed into a silicide, after which the silicide is comminuted to the desired particle size. This silicide is then carburized at an elevated temperature, either above or below the melting point of the silicide, to produce an intimate mixture of the carbide of the fuel material and the carbide of silicon. This mixture of the fuel material carbide and the silicon carbide is relatively stable in the presence of moisture and does not exhibit the highly reactive surface condition which is observed with fuel material carbides made by most other known methods. (AEC)

  13. Reactivity Coefficient Calculation for AP1000 Reactor Using the NODAL3 Code

    NASA Astrophysics Data System (ADS)

    Pinem, Surian; Malem Sembiring, Tagor; Tukiran; Deswandri; Sunaryo, Geni Rina

    2018-02-01

    The reactivity coefficient is a very important parameter for inherent safety and stability of nuclear reactors operation. To provide the safety analysis of the reactor, the calculation of changes in reactivity caused by temperature is necessary because it is related to the reactor operation. In this paper, the temperature reactivity coefficients of fuel and moderator of the AP1000 core are calculated, as well as the moderator density and boron concentration. All of these coefficients are calculated at the hot full power condition (HFP). All neutron diffusion constant as a function of temperature, water density and boron concentration were generated by the SRAC2006 code. The core calculations for determination of the reactivity coefficient parameter are done by using NODAL3 code. The calculation results show that the fuel temperature, moderator temperature and boron reactivity coefficients are in the range between -2.613 pcm/°C to -4.657pcm/°C, -1.00518 pcm/°C to 1.00649 pcm/°C and -9.11361 pcm/ppm to -8.0751 pcm/ppm, respectively. For the water density reactivity coefficients, the positive reactivity occurs at the water temperature less than 190 °C. The calculation results show that the reactivity coefficients are accurate because the results have a very good agreement with the design value.

  14. Mitochondrion-Derived Reactive Oxygen Species Lead to Enhanced Amyloid Beta Formation

    PubMed Central

    Schütt, Tanja; Kurz, Christopher; Eckert, Schamim H.; Schiller, Carola; Occhipinti, Angelo; Mai, Sören; Jendrach, Marina; Eckert, Gunter P.; Kruse, Shane E.; Palmiter, Richard D.; Brandt, Ulrich; Dröse, Stephan; Wittig, Ilka; Willem, Michael; Haass, Christian; Reichert, Andreas S.; Müller, Walter E.

    2012-01-01

    Abstract Aims: Intracellular amyloid beta (Aβ) oligomers and extracellular Aβ plaques are key players in the progression of sporadic Alzheimer's disease (AD). Still, the molecular signals triggering Aβ production are largely unclear. We asked whether mitochondrion-derived reactive oxygen species (ROS) are sufficient to increase Aβ generation and thereby initiate a vicious cycle further impairing mitochondrial function. Results: Complex I and III dysfunction was induced in a cell model using the respiratory inhibitors rotenone and antimycin, resulting in mitochondrial dysfunction and enhanced ROS levels. Both treatments lead to elevated levels of Aβ. Presence of an antioxidant rescued mitochondrial function and reduced formation of Aβ, demonstrating that the observed effects depended on ROS. Conversely, cells overproducing Aβ showed impairment of mitochondrial function such as comprised mitochondrial respiration, strongly altered morphology, and reduced intracellular mobility of mitochondria. Again, the capability of these cells to generate Aβ was partly reduced by an antioxidant, indicating that Aβ formation was also ROS dependent. Moreover, mice with a genetic defect in complex I, or AD mice treated with a complex I inhibitor, showed enhanced Aβ levels in vivo. Innovation: We show for the first time that mitochondrion-derived ROS are sufficient to trigger Aβ production in vitro and in vivo. Conclusion: Several lines of evidence show that mitochondrion-derived ROS result in enhanced amyloidogenic amyloid precursor protein processing, and that Aβ itself leads to mitochondrial dysfunction and increased ROS levels. We propose that starting from mitochondrial dysfunction a vicious cycle is triggered that contributes to the pathogenesis of sporadic AD. Antioxid. Redox Signal. 16, 1421–1433. PMID:22229260

  15. Decreased PCDD/F formation when co-firing a waste fuel and biomass in a CFB boiler by addition of sulphates or municipal sewage sludge.

    PubMed

    Åmand, Lars-Erik; Kassman, Håkan

    2013-08-01

    Polychlorinated dibenzo-p-dioxins (PCDDs) and polychlorinated dibenzofurans (PCDFs) are formed during waste incineration and in waste-to-energy boilers. Incomplete combustion, too short residence times at low combustion temperatures (<700 °C), incineration of electronic waste and plastic waste containing chlorine are all factors influencing the formation of PCDD/Fs in boilers. The impact of chlorine and catalysing metals (such as copper and iron) in the fuel on PCDD/F formation was studied in a 12 MW(th) circulating fluidised bed (CFB) boiler. The PCDD/F concentrations in the raw gas after the convection pass of the boiler and in the fly ashes were compared. The fuel types were a so-called clean biomass with low content of chlorine, biomass with enhanced content of chlorine from supply of PVC, and solid recovered fuel (SRF) which is a waste fuel containing higher concentrations of both chlorine, and catalysing metals. The PCDD/F formation increased for the biomass with enhanced chlorine content and it was significantly reduced in the raw gas as well as in the fly ashes by injection of ammonium sulphate. A link, the alkali chloride track, is demonstrated between the level of alkali chlorides in the gas phase, the chlorine content in the deposits in the convection pass and finally the PCDD/F formation. The formation of PCDD/Fs was also significantly reduced during co-combustion of SRF with municipal sewage sludge (MSS) compared to when SRF was fired without MSS as additional fuel. Copyright © 2013 Elsevier Ltd. All rights reserved.

  16. Optimization of degradation of Reactive Black 5 (RB5) and electricity generation in solar photocatalytic fuel cell system.

    PubMed

    Khalik, Wan Fadhilah; Ho, Li-Ngee; Ong, Soon-An; Voon, Chun-Hong; Wong, Yee-Shian; Yusoff, NikAthirah; Lee, Sin-Li; Yusuf, Sara Yasina

    2017-10-01

    The photocatalytic fuel cell (PFC) system was developed in order to study the effect of several operating parameters in degradation of Reactive Black 5 (RB5) and its electricity generation. Light irradiation, initial dye concentration, aeration, pH and cathode electrode are the operating parameters that might give contribution in the efficiency of PFC system. The degradation of RB5 depends on the presence of light irradiation and solar light gives better performance to degrade the azo dye. The azo dye with low initial concentration decolorizes faster compared to higher initial concentration and presence of aeration in PFC system would enhance its performance. Reactive Black 5 rapidly decreased at higher pH due to the higher amount of OH generated at higher pH and Pt-loaded carbon (Pt/C) was more suitable to be used as cathode in PFC system compared to Cu foil and Fe foil. The rapid decolorization of RB5 would increase their voltage output and in addition, it would also increase their V oc , J sc and P max . The breakage of azo bond and aromatic rings was confirmed through UV-Vis spectrum and COD analysis. Copyright © 2017 Elsevier Ltd. All rights reserved.

  17. Calculation and comparison of xenon and samarium reactivities of the HEU, LEU core in the low power research reactor.

    PubMed

    Dawahra, S; Khattab, K; Saba, G

    2015-07-01

    Comparative studies for the conversion of the fuel from HEU to LEU in the Miniature Neutron Source Reactor (MNSR) have been performed using the MCNP4C and GETERA codes. The precise calculations of (135)Xe and (149)Sm concentrations and reactivities were carried out and compared during the MNSR operation time and after shutdown for the existing HEU fuel (UAl4-Al, 90% enriched) and the potential LEU fuels (U3Si2-Al, U3Si-Al, U9Mo-Al, 19.75% enriched and UO2, 12.6% enriched) in this paper using the MCNP4C and GETERA codes. It was found that the (135)Xe and (149)Sm reactivities did not reach their equilibrium reactivities during the daily operating time of the reactor. The (149)Sm reactivities could be neglected compared to (135)Xe reactivities during the reactor operating time and after shutdown. The calculations for the UAl4-Al produced the highest (135)Xe reactivity in all the studied fuel group during the reactor operation (0.39 mk) and after the reactor shutdown (0.735 mk), It followed by U3Si-Al (0.34 mk, 0.653 mk), U3Si2-Al (0.33 mk, 0.634 mk), U9Mo-Al (0.3 mk, 0.568 mk) and UO2 (0.24 mk, 0.448 mk) fuels, respectively. Finally, the results showed that the UO2 was the best candidate for fuel conversion to LEU in the MNSR since it gave the lowest (135)Xe reactivity during the reactor operation and after shutdown. Copyright © 2015 Elsevier Ltd. All rights reserved.

  18. Monitoring reactive microencapsulation dynamics using microfluidics

    PubMed Central

    Brosseau, Quentin; Baret, Jean-Christophe

    2015-01-01

    We use microfluidic polydimethylsiloxane (PDMS) devices to measure the kinetics of reactive encapsulations occurring at the interface of emulsion droplets. The formation of the polymeric shell is inferred from the droplet deformability measured in a series of expansion–constriction chambers along the microfluidic chip. With this tool we quantify the kinetic processes governing the encapsulation at the very early stage of shell formation with a time resolution of the order of the millisecond for overall reactions occurring in less than 0.5 s. We perform a comparison of monomer reactivities used for the encapsulation. We study the formation of polyurea microcapsules (PUMCs); the shell formation proceeds at the water–oil interface by an immediate reaction of amines dissolved in the aqueous phase and isocyanates dissolved in the oil phase. We observe that both monomers contribute differently to the encapsulation kinetics. The kinetics of the shell formation process at the oil-in-water (O/W) experiments significantly differs from the water-in-oil (W/O) systems; the component dissolved in the continuous phase has the largest impact on the kinetics. In addition, we quantified the retarding effect on the encapsulation kinetics by the interface stabilizing agent (surfactant). Our approach is valuable for quantifying in situ reactive encapsulation processes and provides guidelines to generate microcapsules with soft interfaces of tailored and controllable interfacial properties. PMID:25705975

  19. Formation rates, stability and reactivity of sulfuric acid - amine clusters predicted by computational chemistry

    NASA Astrophysics Data System (ADS)

    Kurtén, Theo; Ortega, Ismael; Kupiainen, Oona; Olenius, Tinja; Loukonen, Ville; Reiman, Heidi; McGrath, Matthew; Vehkamäki, Hanna

    2013-04-01

    Despite the importance of atmospheric particle formation for both climate and air quality, both experiments and non-empirical models using e.g. sulfuric acid, ammonia and water as condensing vapors have so far been unable to reproduce atmospheric observations using realistic trace gas concentrations. Recent experimental and theoretical evidence has shown that this mystery is likely resolved by amines. Combining first-principles evaporation rates for sulfuric acid - dimethylamine clusters with cluster kinetic modeling, we show that even sub-ppt concentrations of amines, together with atmospherically realistic concentrations of sulfuric acid, result in formation rates close to those observed in the atmosphere. Our simulated cluster formation rates are also close to, though somewhat larger than, those measured at the CLOUD experiment in CERN for both sulfuric acid - ammonia and sulfuric acid - dimethylamine systems. A sensitivity analysis indicates that the remaining discrepancy for the sulfuric acid - amine particle formation rates is likely caused by steric hindrances to cluster formation (due to alkyl groups of the amine molecules) rather than by significant errors in the evaporation rates. First-principles molecular dynamic and reaction kinetic modeling shed further light on the microscopic physics and chemistry of sulfuric acid - amine clusters. For example, while the number and type of hydrogen bonds in the clusters typically reach their equilibrium values on a picosecond timescale, and the overall bonding patterns predicted by traditional "static" quantum chemical calculations seem to be stable, the individual atoms participating in the hydrogen bonds continuously change at atmospherically realistic temperatures. From a chemical reactivity perspective, we have also discovered a surprising phenomenon: clustering with sulfuric acid molecules slightly increases the activation energy required for the abstraction of alkyl hydrogens from amine molecules. This implies

  20. Effects of Passive Fuel-Air Mixing Control on Burner Emissions Via Lobed Fuel Injectors

    NASA Technical Reports Server (NTRS)

    Mitchell, M. G.; Smith, O. I.; Karagozian, A. R.

    1999-01-01

    The present experimental study examines the effects of differing levels of passive fuel-air premixing on flame structures and their associated NO(x) and CO emissions. Four alternative fuel injector geometries were explored, three of which have lobed shapes. These lobed injectors mix fuel and air and strain species inter-faces to differing extents due to streamwise vorticity generation, thus creating different local or core equivalence ratios within flow regions upstream of flame ignition and stabilization. Prior experimental studies of two of these lobed injector flowfields focused on non-reactive mixing characteristics and emissions measurements for the case where air speeds were matched above and below the fuel injector, effectively generating stronger streamwise vorticity than spanwise vorticity. The present studies examine the effects of airstream mismatch (and hence additional spanwise vorticity generation), effects of confinement of the crossflow to reduce the local equivalence ratio, and the effects of altering the geometry and position of the flameholders. NO(x) and CO emissions as well as planar laser-induced fluorescence imaging (PLIF) of seeded acetone are used to characterize injector performance and reactive flow evolution.

  1. Heart rate variability reactivity and new romance: Cause or consequence?

    PubMed

    Bailey, Laura K; Davis, Ron

    2017-09-01

    There are documented physiological differences between single and coupled individuals during the "honeymoon period" of nascent romantic relationships. One such difference is in autonomic reactivity, specifically heart rate variability (HRV) reactivity. This finding had previously been interpreted as evidence of a stress buffering effect of relationship formation. The present study explored among university women two competing longitudinal hypotheses conceptualizing differences in HRV reactivity as either a cause or a consequence of romantic relationship formation. Results did not support the hypothesis that HRV reactivity changes as a consequence of beginning a new romantic relationship. Instead, lower HRV reactivity predicted greater relationship formation amongst women with low BMI and higher resting HRV. The functioning of the heart therefore predicted the likelihood that an individual would find love. These interactions may be the result of differing success rates of various mating strategies for women with low and high BMI and HRV. Copyright © 2017 Elsevier B.V. All rights reserved.

  2. FUEL ELEMENT FOR NUCLEAR REACTORS

    DOEpatents

    Bassett, C.H.

    1961-05-16

    A fuel element particularly adapted for use in nuclear reactors of high power density is offered. It has fissionable fuel pellet segments mounted in a tubular housing and defining a central passage in the fuel element. A burnable poison element extends through the central passage, which is designed to contain more poison material at the median portion than at the end portions thereby providing a more uniform hurnup and longer reactivity life.

  3. Gasification Characteristics of Coal/Biomass Mixed Fuels

    DOE Office of Scientific and Technical Information (OSTI.GOV)

    Mitchell, Reginald

    2014-09-01

    A research project was undertaken that had the overall objective of developing the models needed to accurately predict conversion rates of coal/biomass mixtures to synthesis gas under conditions relevant to a commercially-available coal gasification system configured to co-produce electric power as well as chemicals and liquid fuels. In our efforts to accomplish this goal, experiments were performed in an entrained flow reactor in order to produce coal and biomass chars at high heating rates and temperatures, typical of the heating rates and temperatures fuel particles experience in real systems. Mixed chars derived from coal/biomass mixtures containing up to 50% biomassmore » and the chars of the pure coal and biomass components were subjected to a matrix of reactivity tests in a pressurized thermogravimetric analyzer (TGA) in order to obtain data on mass loss rates as functions of gas temperature, pressure and composition as well as to obtain information on the variations in mass specific surface area during char conversion under kinetically-limited conditions. The experimental data were used as targets when determining the unknown parameters in the chemical reactivity and specific surface area models developed. These parameters included rate coefficients for the reactions in the reaction mechanism, enthalpies of formation and absolute entropies of adsorbed species formed on the carbonaceous surfaces, and pore structure coefficients in the model used to describe how the mass specific surface area of the char varies with conversion. So that the reactivity models can be used at high temperatures when mass transport processes impact char conversion rates, Thiele modulus – effectiveness factor relations were also derived for the reaction mechanisms developed. In addition, the reactivity model and a mode of conversion model were combined in a char-particle gasification model that includes the effects of chemical reaction and diffusion of reactive gases through

  4. Improving Prompt Temperature Feedback by Stimulating Doppler Broadening in Heterogeneous Composite Nuclear Fuel Forms

    NASA Astrophysics Data System (ADS)

    Morrison, Christopher

    Nuclear fuels with similar aggregate material composition, but with different millimeter and micrometer spatial configurations of the component materials can have very different safety and performance characteristics. This research focuses on modeling and attempting to engineer heterogeneous combinations of nuclear fuels to improve negative prompt temperature feedback in response to reactivity insertion accidents. Improvements in negative prompt temperature feedback are proposed by developing a tailored thermal resistance in the nuclear fuel. In the event of a large reactivity insertion, the thermal resistance allows for a faster negative Doppler feedback by temporarily trapping heat in material zones with strong absorption resonances. A multi-physics simulation framework was created that could model large reactivity insertions. The framework was then used to model a comparison of a heterogeneous fuel with a tailored thermal resistance and a homogeneous fuel without the tailored thermal resistance. The results from the analysis confirmed the fundamental premise of prompt temperature feedback and provide insights into the neutron spectrum dynamics throughout the transient process. A trade study was conducted on infinite lattice fuels to help map a design space to study and improve prompt temperature feedback with many results. A multi-scale fuel pin analysis was also completed to study more realistic geometries. The results of this research could someday allow for novel nuclear fuels that would behave differently than current fuels. The idea of having a thermal barrier coating in the fuel is contrary to most current thinking. Inherent resistance to reactivity insertion accidents could enable certain reactor types once considered vulnerable to reactivity insertion accidents to be reevaluated in light of improved negative prompt temperature feedback.

  5. Method and apparatus for measuring reactivity of fissile material

    DOEpatents

    Lee, David M.; Lindquist, Lloyd O.

    1985-01-01

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

  6. Neutron economic reactivity control system for light water reactors

    DOEpatents

    Luce, Robert G.; McCoy, Daniel F.; Merriman, Floyd C.; Gregurech, Steve

    1989-01-01

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

  7. A rapid decrease in temperature induces latewood formation in artificially reactivated cambium of conifer stems

    PubMed Central

    Begum, Shahanara; Nakaba, Satoshi; Yamagishi, Yusuke; Yamane, Kenichi; Islam, Md. Azharul; Oribe, Yuichiro; Ko, Jae-Heung; Jin, Hyun-O; Funada, Ryo

    2012-01-01

    Background and Aims Latewood formation in conifers occurs during the later part of the growing season, when the cell division activity of the cambium declines. Changes in temperature might be important for wood formation in trees. Therefore, the effects of a rapid decrease in temperature on cellular morphology of tracheids were investigated in localized heating-induced cambial reactivation in Cryptomeria japonica trees and in Abies firma seedlings. Methods Electric heating tape and heating ribbon were wrapped on the stems of C. japonica trees and A. firma seedlings. Heating was discontinued when 11 or 12 and eight or nine radial files of differentiating and differentiated tracheids had been produced in C. japonica and A. firma stems, respectively. Tracheid diameter, cell wall thickness, percentage of cell wall area and percentage of lumen area were determined by image analysis of transverse sections and scanning electron microscopy. Key Results Localized heating induced earlier cambial reactivation and xylem differentiation in stems of C. japonica and A. firma as compared with non-heated stems. One week after cessation of heating, there were no obvious changes in the dimensions of the differentiating tracheids in the samples from adult C. japonica. In contrast, tracheids with a smaller diameter were observed in A. firma seedlings after 1 week of cessation of heating. Two or three weeks after cessation of heating, tracheids with reduced diameters and thickened cell walls were found. The results showed that the rapid decrease in temperature produced slender tracheids with obvious thickening of cell walls that resembled latewood cells. Conclusions The results suggest that a localized decrease in temperature of stems induces changes in the diameter and cell wall thickness of differentiating tracheids, indicating that cambium and its derivatives can respond directly to changes in temperature. PMID:22843340

  8. Neutronics qualification of the Jules Horowitz reactor fuel by interpretation of the VALMONT experimental program - Transposition of the uncertainties on the reactivity of JHR with JEF2.2 and JEFF3.1.1

    DOE Office of Scientific and Technical Information (OSTI.GOV)

    Leray, O.; Hudelot, J. P.; Antony, M.

    2011-07-01

    The new European material testing Jules Horowitz Reactor (JHR), currently under construction in Cadarache center (CEA France), will use LEU (20% enrichment in {sup 235}U) fuels (U{sub 3}Si{sub 2} for the start up and UMoAl in the future) which are quite different from the industrial oxide fuel, for which an extensive neutronics qualification database has been established. The HORUS3D/N neutronics calculation scheme, used for the design and safety studies of the JHR, is being developed within the framework of a rigorous verification-validation-qualification methodology. In this framework, the experimental VALMONT (Validation of Aluminium Molybdenum uranium fuel for Neutronics) program has beenmore » performed in the MINERVE facility of CEA Cadarache (France), in order to qualify the capability of HORUS3D/N to accurately calculate the reactivity of the JHR reactor. The MINERVE facility using the oscillation technique provides accurate measurements of reactivity effect of samples. The VALMONT program includes oscillations of samples of UAl{sub x}/Al and UMo/Al with enrichments ranging from 0.2% to 20% and Uranium densities from 2.2 to 8 g/cm{sup 3}. The geometry of the samples and the pitch of the experimental lattice ensure maximum representativeness with the neutron spectrum expected for JHR. By comparing the effect of the sample with the one of a known fuel specimen, the reactivity effect can be measured in absolute terms and be compared to computational results. Special attention was paid to the rigorous determination and reduction of the experimental uncertainties. The calculational analysis of the VALMONT results was performed with the French deterministic code APOLLO2. A comparison of the impact of the different calculation methods, data libraries and energy meshes that were tested is presented. The interpretation of the VALMONT experimental program allowed the qualification of JHR fuel UMoAl8 (with an enrichment of 19.75% {sup 235}U) by the Minerve

  9. Light-absorbing oligomer formation in secondary organic aerosol from reactive uptake of isoprene epoxydiols.

    PubMed

    Lin, Ying-Hsuan; Budisulistiorini, Sri Hapsari; Chu, Kevin; Siejack, Richard A; Zhang, Haofei; Riva, Matthieu; Zhang, Zhenfa; Gold, Avram; Kautzman, Kathryn E; Surratt, Jason D

    2014-10-21

    Secondary organic aerosol (SOA) produced from reactive uptake and multiphase chemistry of isoprene epoxydiols (IEPOX) has been found to contribute substantially (upward of 33%) to the fine organic aerosol mass over the Southeastern U.S. Brown carbon (BrC) in rural areas of this region has been linked to secondary sources in the summer when the influence of biomass burning is low. We demonstrate the formation of light-absorbing (290 < λ < 700 nm) SOA constituents from reactive uptake of trans-β-IEPOX onto preexisting sulfate aerosols as a potential source of secondary BrC. IEPOX-derived BrC generated in controlled chamber experiments under dry, acidic conditions has an average mass absorption coefficient of ∼ 300 cm(2) g(-1). Chemical analyses of SOA constituents using UV-visible spectroscopy and high-resolution mass spectrometry indicate the presence of highly unsaturated oligomeric species with molecular weights separated by mass units of 100 (C5H8O2) and 82 (C5H6O) coincident with the observations of enhanced light absorption, suggesting such oligomers as chromophores, and potentially explaining one source of humic-like substances (HULIS) ubiquitously present in atmospheric aerosol. Similar light-absorbing oligomers were identified in fine aerosol collected in the rural Southeastern U.S., supporting their atmospheric relevance and revealing a previously unrecognized source of oligomers derived from isoprene that contributes to ambient fine aerosol mass.

  10. Hot spot formation and chemical reaction initiation in shocked HMX crystals with nanovoids: a large-scale reactive molecular dynamics study.

    PubMed

    Zhou, Tingting; Lou, Jianfeng; Zhang, Yangeng; Song, Huajie; Huang, Fenglei

    2016-07-14

    We report million-atom reactive molecular dynamic simulations of shock initiation of β-cyclotetramethylene tetranitramine (β-HMX) single crystals containing nanometer-scale spherical voids. Shock induced void collapse and subsequent hot spot formation as well as chemical reaction initiation are observed which depend on the void size and impact strength. For an impact velocity of 1 km s(-1) and a void radius of 4 nm, the void collapse process includes three stages; the dominant mechanism is the convergence of upstream molecules toward the centerline and the downstream surface of the void forming flowing molecules. Hot spot formation also undergoes three stages, and the principal mechanism is kinetic energy transforming to thermal energy due to the collision of flowing molecules on the downstream surface. The high temperature of the hot spot initiates a local chemical reaction, and the breakage of the N-NO2 bond plays the key role in the initial reaction mechanism. The impact strength and void size have noticeable effects on the shock dynamical process, resulting in a variation of the predominant mechanisms leading to void collapse and hot spot formation. Larger voids or stronger shocks result in more intense hot spots and, thus, more violent chemical reactions, promoting more reaction channels and generating more reaction products in a shorter duration. The reaction products are mainly concentrated in the developed hot spot, indicating that the chemical reactivity of the hmx crystal is greatly enhanced by void collapse. The detailed information derived from this study can aid a thorough understanding of the role of void collapse in hot spot formation and the chemical reaction initiation of explosives.

  11. Reaction of 2-acetylaminofluorene-N-sulfate with RNA and glutathione: evidence for the generation of two reactive intermediates with different reactivities towards RNA and glutathione.

    PubMed

    van den Goorbergh, J A; Meerman, J H; de Wit, H; Mulder, G J

    1985-11-01

    The sulfate ester of N-hydroxy-2-acetylaminofluorene (AAF-N-sulfate) is one of the reactive intermediates of this carcinogen. This ester breaks down spontaneously to a very reactive nitrenium ion, which reacts with nucleophilic groups in protein, DNA, RNA and glutathione (GSH). Reactions involving the nitrenium ion with several nucleophiles under various conditions were studied. The adduct formation to RNA was much higher in Tris-HCI buffer than in phosphate buffer (at pH 7.4), while adduct formation to deoxy-guanosine monomers was the same in both buffers. The presence of 150 mM KCI had the same decreasing effect in both cases. Ionic strength effects may be involved in these phenomena. GSH decreased RNA adduct formation by 20-45%, while other thiols were much more effective. On the other hand, RNA did not decrease the formation of GSH conjugates from AAF-N-sulfate. The decrease in RNA adduct formation by thiols corresponded with an increase in the formation of 2-acetylaminofluorene (AAF) from AAF-N-sulfate, while no N-hydroxy-AAF was formed. These results suggest that two independent reactive intermediates are formed from AAF-N-sulfate, with different reactivities towards RNA and glutathione. Possibly these intermediates are the 'hard' triplet state nitrenium ion and the 'soft' singlet state nitrenium ion. Cysteine, cysteamine and penicillamine were most effective in the inhibition of RNA adduct formation; the extent of inhibition correlated with the extent of AAF formation. The mechanisms involved are discussed.

  12. Cenosphere formation from heavy fuel oil: a numerical analysis accounting for the balance between porous shells and internal pressure

    NASA Astrophysics Data System (ADS)

    Reddy, Vanteru M.; Rahman, Mustafa M.; Gandi, Appala N.; Elbaz, Ayman M.; Schrecengost, Robert A.; Roberts, William L.

    2016-01-01

    Heavy fuel oil (HFO) as a fuel in industrial and power generation plants ensures the availability of energy at economy. Coke and cenosphere emissions from HFO combustion need to be controlled by particulate control equipment such as electrostatic precipitators, and collection effectiveness is impacted by the properties of these particulates. The cenosphere formation is a function of HFO composition, which varies depending on the source of the HFO. Numerical modelling of the cenosphere formation mechanism presented in this paper is an economical method of characterising cenosphere formation potential for HFO in comparison to experimental analysis of individual HFO samples, leading to better control and collection. In the present work, a novel numerical model is developed for understanding the global cenosphere formation mechanism. The critical diameter of the cenosphere is modelled based on the balance between two pressures developed in an HFO droplet. First is the pressure (Prpf) developed at the interface of the liquid surface and the inner surface of the accumulated coke due to the flow restriction of volatile components from the interior of the droplet. Second is the pressure due to the outer shell strength (PrC) gained from van der Walls energy of the coke layers and surface energy. In this present study it is considered that when PrC ≥ Prpf the outer shell starts to harden. The internal motion in the shell layer ceases and the outer diameter (DSOut) of the shell is then fixed. The entire process of cenosphere formation in this study is analysed in three phases: regression, shell formation and hardening, and post shell hardening. Variations in pressures during shell formation are analysed. Shell (cenosphere) dimensions are evaluated at the completion of droplet evaporation. The rate of fuel evaporation, rate of coke formation and coke accumulation are analysed. The model predicts shell outer diameters of 650, 860 and 1040 µm, and inner diameters are 360, 410

  13. Influence of reactive gas admixture on transition metal cluster nucleation in a gas aggregation cluster source

    NASA Astrophysics Data System (ADS)

    Peter, Tilo; Polonskyi, Oleksandr; Gojdka, Björn; Mohammad Ahadi, Amir; Strunskus, Thomas; Zaporojtchenko, Vladimir; Biederman, Hynek; Faupel, Franz

    2012-12-01

    We quantitatively assessed the influence of reactive gases on the formation processes of transition metal clusters in a gas aggregation cluster source. A cluster source based on a 2 in. magnetron is used to study the production rate of titanium and cobalt clusters. Argon served as working gas for the DC magnetron discharge, and a small amount of reactive gas (oxygen and nitrogen) is added to promote reactive cluster formation. We found that the cluster production rate depends strongly on the reactive gas concentration for very small amounts of reactive gas (less than 0.1% of total working gas), and no cluster formation takes place in the absence of reactive species. The influence of discharge power, reactive gas concentration, and working gas pressure are investigated using a quartz micro balance in a time resolved manner. The strong influence of reactive gas is explained by a more efficient formation of nucleation seeds for metal-oxide or nitride than for pure metal.

  14. Measurement of Total Reactive Nitrogen (Nr) during the FIREX 2016 Lab Study

    NASA Astrophysics Data System (ADS)

    Roberts, J. M.; Liu, Y.; Stockwell, C.; Warneke, C.; Coggon, M.; Franchin, A.; Gilman, J.; De Gouw, J. A.; Jimenez, J. L.; Koss, A.; Krechmer, J. E.; Lerner, B. M.; Middlebrook, A. M.; Sekimoto, K.; Selimovic, V.; Yokelson, R. J.; Yuan, B.; Zarzana, K. J.; Brown, S. S.

    2017-12-01

    Wildfire is a significant source of nitrogen-containing gases and particles to the atmosphere. In addition, a warmer and drier climate is making wildfire an emerging air quality issue in North America. The nitrogen compounds emitted from biomass fires come solely from fuel nitrogen, as a result of pyrolytic and combustion processes, and range from highly reduced (NH3) to highly oxidized (HNO3/NO3-) species. A systematic understanding of the emissions and fate of these compounds is key to quantifying and predicting the role of wild fire in ozone and particle formation, so that wildfire management can be optimized. In addition, many wildfire-derived compounds have unique health impacts that also need to be managed. We have developed a method for the measurement of Total Reactive Nitrogen (Nr = all N-compounds except for N2 and N2O), based on catalytic conversion on a high temperature platinum catalyst, with detection by NO-O3 chemiluminescence. This instrument was fielded during the 2016 FIREX emissions studies at the USFS Missoula, MT., Fire Laboratory, along with a whole suite of measurements of individual gas and particle-phase species. The nitrogen balance of measured emissions will be discussed in the context of fuel-N, fuel type and fire phase (e.g. pyrolysis, flaming, smoldering stages).

  15. Renewable Formate from C-H Bond Formation with CO2: Using Iron Carbonyl Clusters as Electrocatalysts.

    PubMed

    Loewen, Natalia D; Neelakantan, Taruna V; Berben, Louise A

    2017-09-19

    As a society, we are heavily dependent on nonrenewable petroleum-derived fuels and chemical feedstocks. Rapid depletion of these resources and the increasingly evident negative effects of excess atmospheric CO 2 drive our efforts to discover ways of converting excess CO 2 into energy dense chemical fuels through selective C-H bond formation and using renewable energy sources to supply electrons. In this way, a carbon-neutral fuel economy might be realized. To develop a molecular or heterogeneous catalyst for C-H bond formation with CO 2 requires a fundamental understanding of how to generate metal hydrides that selectively donate H - to CO 2 , rather than recombining with H + to liberate H 2 . Our work with a unique series of water-soluble and -stable, low-valent iron electrocatalysts offers mechanistic and thermochemical insights into formate production from CO 2 . Of particular interest are the nitride- and carbide-containing clusters: [Fe 4 N(CO) 12 ] - and its derivatives and [Fe 4 C(CO) 12 ] 2- . In both aqueous and mixed solvent conditions, [Fe 4 N(CO) 12 ] - forms a reduced hydride intermediate, [H-Fe 4 N(CO) 12 ] - , through stepwise electron and proton transfers. This hydride selectively reacts with CO 2 and generates formate with >95% efficiency. The mechanism for this transformation is supported by crystallographic, cyclic voltammetry, and spectroelectrochemical (SEC) evidence. Furthermore, installation of a proton shuttle onto [Fe 4 N(CO) 12 ] - facilitates proton transfer to the active site, successfully intercepting the hydride intermediate before it reacts with CO 2 ; only H 2 is observed in this case. In contrast, isoelectronic [Fe 4 C(CO) 12 ] 2- features a concerted proton-electron transfer mechanism to form [H-Fe 4 C(CO) 12 ] 2- , which is selective for H 2 production even in the presence of CO 2 , in both aqueous and mixed solvent systems. Higher nuclearity clusters were also studied, and all are proton reduction electrocatalysts, but none

  16. Thermal breeder fuel enrichment zoning

    DOEpatents

    Capossela, Harry J.; Dwyer, Joseph R.; Luce, Robert G.; McCoy, Daniel F.; Merriman, Floyd C.

    1992-01-01

    A method and apparatus for improving the performance of a thermal breeder reactor having regions of higher than average moderator concentration are disclosed. The fuel modules of the reactor core contain at least two different types of fuel elements, a high enrichment fuel element and a low enrichment fuel element. The two types of fuel elements are arranged in the fuel module with the low enrichment fuel elements located between the high moderator regions and the high enrichment fuel elements. Preferably, shim rods made of a fertile material are provided in selective regions for controlling the reactivity of the reactor by movement of the shim rods into and out of the reactor core. The moderation of neutrons adjacent the high enrichment fuel elements is preferably minimized as by reducing the spacing of the high enrichment fuel elements and/or using a moderator having a reduced moderating effect.

  17. Experimental investigation of aminoacetonitrile formation through the Strecker synthesis in astrophysical-like conditions: reactivity of methanimine (CH2NH), ammonia (NH3), and hydrogen cyanide (HCN)

    NASA Astrophysics Data System (ADS)

    Danger, G.; Borget, F.; Chomat, M.; Duvernay, F.; Theulé, P.; Guillemin, J.-C.; Le Sergeant D'Hendecourt, L.; Chiavassa, T.

    2011-11-01

    Context. Studing chemical reactivity in astrophysical environments is an important means for improving our understanding of the origin of the organic matter in molecular clouds, in protoplanetary disks, and possibly, as a final destination, in our solar system. Laboratory simulations of the reactivity of ice analogs provide important insight into the reactivity in these environments. Here, we use these experimental simulations to investigate the Strecker synthesis leading to the formation of aminoacetonitrile in astrophysical-like conditions. The aminoacetonitrile is an interesting compound because it was detected in SgrB2, hence could be a precursor of the smallest amino acid molecule, glycine, in astrophysical environments. Aims: We present the first experimental investigation of the formation of aminoacetonitrile NH2CH2CN from the thermal processing of ices including methanimine (CH2NH), ammonia (NH3), and hydrogen cyanide (HCN) in interstellar-like conditions without VUV photons or particules. Methods: We use Fourier Transform InfraRed (FTIR) spectroscopy to monitor the ice evolution during its warming. Infrared spectroscopy and mass spectroscopy are then used to identify the aminoacetonitrile formation. Results: We demonstrate that methanimine can react with -CN during the warming of ice analogs containing at 20 K methanimine, ammonia, and [NH4+ -CN] salt. During the ice warming, this reaction leads to the formation of poly(methylene-imine) polymers. The polymer length depend on the initial ratio of mass contained in methanimine to that in the [NH4+ -CN] salt. In a methanimine excess, long polymers are formed. As the methanimine is progressively diluted in the [NH4+ -CN] salt, the polymer length decreases until the aminoacetonitrile formation at 135 K. Therefore, these results demonstrate that aminoacetonitrile can be formed through the second step of the Strecker synthesis in astrophysical-like conditions.

  18. Fuel cells and fuel cell catalysts

    DOEpatents

    Masel, Richard I.; Rice, Cynthia A.; Waszczuk, Piotr; Wieckowski, Andrzej

    2006-11-07

    A direct organic fuel cell includes a formic acid fuel solution having between about 10% and about 95% formic acid. The formic acid is oxidized at an anode. The anode may include a Pt/Pd catalyst that promotes the direct oxidation of the formic acid via a direct reaction path that does not include formation of a CO intermediate.

  19. Menadione induces the formation of reactive oxygen species and depletion of GSH-mediated apoptosis and inhibits the FAK-mediated cell invasion.

    PubMed

    Kim, Yun Jeong; Shin, Yong Kyoo; Sohn, Dong Suep; Lee, Chung Soo

    2014-09-01

    Menadione induces apoptosis in tumor cells. However, the mechanism of apoptosis in ovarian cancer cells exposed to menadione is not clear. In addition, it is unclear whether menadione-induced apoptosis is mediated by the depletion of glutathione (GSH) contents that is associated with the formation of reactive oxygen species. Furthermore, the effect of menadione on the invasion and migration of human epithelial ovarian cancer cells has not been studied. Therefore, we investigated the effects of menadione exposure on apoptosis, cell adhesion, and cell migration using the human epithelial ovarian carcinoma cell lines OVCAR-3 and SK-OV-3. The results suggest that menadione may induce apoptotic cell death in ovarian carcinoma cell lines by activating the mitochondrial pathway and the caspase-8- and Bid-dependent pathways. The apoptotic effect of menadione appears to be mediated by the formation of reactive oxygen species and the depletion of GSH. Menadione inhibited fetal-bovine-serum-induced cell adhesion and migration of OVCAR-3 cells, possibly through the suppression the focal adhesion kinase (FAK)-dependent activation of cytoskeletal-associated components. Therefore, menadione might be beneficial in the treatment of epithelial ovarian adenocarcinoma and combination therapy.

  20. Formation of reactive oxygen species in lung alveolar cells: effect of vitamin E deficiency.

    PubMed

    Sabat, Robert; Guthmann, Florian; Rüstow, Bernd

    2008-01-01

    Reactive oxygen species (ROS) play an important role in the pathogenesis of numerous pulmonary diseases. Various mainly membrane-bound ROS-generating processes exist in alveolar cells. Vitamin E (vit. E) is the most important lipophilic antioxidant. However, the significance of vit. E levels in alveolar cells for the regulation of ROS generation has not been investigated so far. We demonstrated here that feeding rats with vit. E-depleted nourishment for 5 weeks reduced the concentration of vit. E in alveolar type II cell preparations to one-fifth the amount of control animals. This reduction of vit. E levels was associated with an approximately threefold increase in ROS generation in type II pneumocytes, lymphocytes, and macrophages. The contribution of individual processes of ROS formation in control animals differed strongly among these three cell types. However, vit. E deficiency induced predominantly nonmitochondrial ROS formation in alveolar cells. Expression and NAD(P)H-oxidase activity in alveolar type II cell preparations was not affected by vit. E deficiency. Moreover, protein kinase C (PKC) also did not seem to be responsible for vit. E deficiency-induced ROS generation in alveolar cells. Alimentary vit. E supplementation for 2 days corrected the cellular vit. E concentration but failed to normalize ROS generation in alveolar cells. These data let us assume that alimentary vit. E deficiency caused a preferentially nonmitochondria-mediated increase of ROS formation in type II pneumocytes, macrophages, and lymphocytes. However, the short-term supplementation of vit. E does not reverse these effects.

  1. Evaluation of a High-Throughput Peptide Reactivity Format Assay for Assessment of the Skin Sensitization Potential of Chemicals

    PubMed Central

    Wong, Chin Lin; Lam, Ai-Leen; Smith, Maree T.; Ghassabian, Sussan

    2016-01-01

    The direct peptide reactivity assay (DPRA) is a validated method for in vitro assessment of the skin sensitization potential of chemicals. In the present work, we describe a peptide reactivity assay using 96-well plate format and systematically identified the optimal assay conditions for accurate and reproducible classification of chemicals with known sensitizing capacity. The aim of the research is to ensure that the analytical component of the peptide reactivity assay is robust, accurate, and reproducible in accordance with criteria that are used for the validation of bioanalytical methods. Analytical performance was evaluated using quality control samples (QCs; heptapeptides at low, medium, and high concentrations) and incubation of control chemicals (chemicals with known sensitization capacity, weak, moderate, strong, extreme, and non-sensitizers) with each of three synthetic heptapeptides, viz Cor1-C420 (Ac-NKKCDLF), cysteine- (Ac-RFAACAA), and lysine- (Ac-RFAAKAA) containing heptapeptides. The optimal incubation temperature for all three heptapeptides was 25°C. Apparent heptapeptide depletion was affected by vial material composition. Incubation of test chemicals with Cor1-C420, showed that peptide depletion was unchanged in polypropylene vials over 3-days storage in an autosampler but this was not the case for borosilicate glass vials. For cysteine-containing heptapeptide, the concentration was not stable by day 3 post-incubation in borosilicate glass vials. Although the lysine-containing heptapeptide concentration was unchanged in both polypropylene and borosilicate glass vials, the apparent extent of lysine-containing heptapeptide depletion by ethyl acrylate, differed between polypropylene (24.7%) and glass (47.3%) vials. Additionally, the peptide-chemical complexes for Cor1-C420-cinnamaldehyde and cysteine-containing heptapeptide-2, 4-dinitrochlorobenzene were partially reversible during 3-days of autosampler storage. These observations further highlight

  2. PROCEEDINGS: MULTIPOLLUTANT SORBENT REACTIVITY ...

    EPA Pesticide Factsheets

    The report is a compilation of technical papers and visual aids presented by representatives of industry, academia, and government agencies at a workshop on multipollutant sorbent reactivity that was held at EPA's Environmental Research Center in Research Triangle Park, NC, on July 19-20, 1994. There were 16 technical presentations in three sessions, and a panel discussion between six research experts. The workshop was a forum for the exchange of ideas and information on the use of sorbents to control air emissions of acid gases (sulfur dioxide, nitrogen oxides, and hydrogen chloride); mercury and dioxins; and toxic metals, primarily from fossil fuel combustion. A secondary purpose for conducting the workshop was to help guide EPA's research planning activities. A general theme of the workshop was that a strategy of controlling many pollutants with a single system rather than systems to control individual pollutants should be a research goal. Some research needs cited were: hazardous air pollutant removal by flue gas desulfurization systems, dioxin formation and control, mercury control, waste minimization, impact of ash recycling on metals partitioning, impact of urea and sorbents on other pollutants, high temperature filtration, impact of coal cleaning on metals partitioning, and modeling dispersion of sorbents in flue gas. information

  3. Low contaminant formic acid fuel for direct liquid fuel cell

    DOEpatents

    Masel, Richard I [Champaign, IL; Zhu, Yimin [Urbana, IL; Kahn, Zakia [Palatine, IL; Man, Malcolm [Vancouver, CA

    2009-11-17

    A low contaminant formic acid fuel is especially suited toward use in a direct organic liquid fuel cell. A fuel of the invention provides high power output that is maintained for a substantial time and the fuel is substantially non-flammable. Specific contaminants and contaminant levels have been identified as being deleterious to the performance of a formic acid fuel in a fuel cell, and embodiments of the invention provide low contaminant fuels that have improved performance compared to known commercial bulk grade and commercial purified grade formic acid fuels. Preferred embodiment fuels (and fuel cells containing such fuels) including low levels of a combination of key contaminants, including acetic acid, methyl formate, and methanol.

  4. REACTIVE MINERALS IN AQUIFERS: FORMATION PROCESSES AND QUANTITATIVE ANALYSIS

    EPA Science Inventory

    The presentation will focus on the occurrence, form, and characterization of reactive iron minerals in aquifers and soils. The potential for abiotic reductive transformations of contaminants at the mineral-water interface will be discussed along with available tools for site min...

  5. Preliminary design study of small long life boiling water reactor (BWR) with tight lattice thorium nitride fuel

    DOE Office of Scientific and Technical Information (OSTI.GOV)

    Trianti, Nuri, E-mail: nuri.trianti@gmail.com, E-mail: szaki@fi.itba.c.id; Su'ud, Zaki, E-mail: nuri.trianti@gmail.com, E-mail: szaki@fi.itba.c.id; Arif, Idam, E-mail: nuri.trianti@gmail.com, E-mail: szaki@fi.itba.c.id

    2014-09-30

    Neutronic performance of small long-life boiling water reactors (BWR) with thorium nitride based fuel has been performed. A recent study conducted on BWR in tight lattice environments (with a lower moderator percentage) produces small power reactor which has some specifications, i.e. 10 years operation time, power density of 19.1 watt/cc and maximum excess reactivity of about 4%. This excess reactivity value is smaller than standard reactivity of conventional BWR. The use of hexagonal geometry on the fuel cell of BWR provides a substantial effect on the criticality of the reactor to obtain a longer operating time. Supported by a tightmore » concept lattice where the volume fraction of the fuel is greater than the moderator and fuel, Thorium Nitride give good results for fuel cell design on small long life BWR. The excess reactivity of the reactor can be reduced with the addition of gadolinium as burnable poisons. Therefore the hexagonal tight lattice fuel cell design of small long life BWR that has a criticality more than 20 years of operating time has been obtained.« less

  6. Mineral surface-reactive metabolites secreted during fungal decomposition contribute to the formation of soil organic matter.

    PubMed

    Wang, Tao; Tian, Zhaomo; Bengtson, Per; Tunlid, Anders; Persson, Per

    2017-12-01

    Soil organic matter (SOM) constitutes the largest terrestrial C pool. An emerging, untested, view is that oxidation and depolymerization of SOM by microorganisms promote the formation of SOM-mineral associations that is critical for SOM stabilization. To test this hypothesis, we performed laboratory-scale experiments involving one ectomycorrhizal and one saprotrophic fungus that represent the two major functional groups of microbial decomposers in the boreal forest soils. Fungal decomposition enhanced the retention of SOM on goethite, partly because of oxidative modifications of organic matter (OM) by the fungi. Moreover, both fungi secreted substantial amounts (> 10% new biomass C) of aromatic metabolites that also contributed to an enhanced mineral retention of OM. Our study demonstrates that soil fungi can form mineral-stabilized SOM not only by oxidative conversion of the SOM but also by synthesizing mineral surface-reactive metabolites. Metabolites produced by fungal decomposers can play a yet overlooked role in the formation and stabilization of SOM. © 2017 Society for Applied Microbiology and John Wiley & Sons Ltd.

  7. Analysis of Accidents at the Pakistan Research Reactor-1 Using Proposed Mixed-Fuel (HEU and LEU) Core

    DOE Office of Scientific and Technical Information (OSTI.GOV)

    Bokhari, Ishtiaq H.

    2004-12-15

    The Pakistan Research Reactor-1 (PARR-1) was converted from highly enriched uranium (HEU) to low-enriched uranium (LEU) fuel in 1991. The reactor is running successfully, with an upgraded power level of 10 MW. To save money on the purchase of costly fresh LEU fuel elements, the use of less burnt HEU spent fuel elements along with the present LEU fuel elements is being considered. The proposal calls for the HEU fuel elements to be placed near the thermal column to gain the required excess reactivity. In the present study the safety analysis of a proposed mixed-fuel core has been carried outmore » at a calculated steady-state power level of 9.8 MW. Standard computer codes and correlations were employed to compute various parameters. Initiating events in reactivity-induced accidents involve various modes of reactivity insertion, namely, start-up accident, accidental drop of a fuel element on the core, flooding of a beam tube with water, and removal of an in-pile experiment during reactor operation. For each of these transients, time histories of reactor power, energy released, temperature, and reactivity were determined.« less

  8. Oxidation and formation of deposit precursors in hydrocarbon fuels

    NASA Technical Reports Server (NTRS)

    Buttrill, S. E., Jr.; Mayo, F. R.; Lan, B.; St.john, G. A.; Dulin, D.

    1982-01-01

    A practical fuel, home heating oil no. 2 (Fuel C), and the pure hydrocarbon, n-dodecane, were subjected to mild oxidation at 130 C and the resulting oxygenated reaction products, deposit precursors, were analyzed using field ionization mass spectrometry. Results for fuel C indicated that, as oxidation was initially extended, certain oxygenated reaction products of increasing molecular weights in the form of monomers, dimers and some trimers were produced. Further oxidation time increase resulted in further increase in monomers but a marked decrease in dimers and trimers. This suggests that these larger molecular weight products have proceeded to form deposit and separated from the fuel mixture. Results for a dodecane indicated that yields for dimers and trimers were very low. Dimers were produced as a result of interaction between oxygenated products with each other rather than with another fuel molecule. This occurred even though fuel molecule concentration was 50 times, or more greater than that for these oxygenated reaction products.

  9. Transition Core Properties during Conversion of the NBSR from HEU to LEU Fuel

    DOE Office of Scientific and Technical Information (OSTI.GOV)

    Hanson, A. L.; Diamond, D.

    2013-10-31

    The transition of the NBSR from HEU to LEU fuel is challenging due to reactivity constraints and the need to maintain an uninterrupted science program, the mission of the NBSR. The transition cannot occur with a full change of HEU to LEU fuel elements since the excess reactivity would be large enough that the NBSR would violate the technical specification for shutdown margin. Manufacturing LEU fuel elements to represent irradiated fuel elements would be cost prohibitive since 26 one-of-a-kind fuel elements would need to be manufactured. For this report a gradual transition from the present HEU fuel to the proposedmore » LEU fuel was studied. The gradual change approach would follow the present fuel management scheme and replace four HEU fuel elements with four LEU fuel elements each cycle. This manuscript reports the results of a series of calculations to predict the neutronic characteristics and how the neutronics will change during the transition from HEU to LEU in the NBSR.« less

  10. Nanofluidic fuel cell

    NASA Astrophysics Data System (ADS)

    Lee, Jin Wook; Kjeang, Erik

    2013-11-01

    Fuel cells are gaining momentum as a critical component in the renewable energy mix for stationary, transportation, and portable power applications. State-of-the-art fuel cell technology benefits greatly from nanotechnology applied to nanostructured membranes, catalysts, and electrodes. However, the potential of utilizing nanofluidics for fuel cells has not yet been explored, despite the significant opportunity of harnessing rapid nanoscale reactant transport in close proximity to the reactive sites. In the present article, a nanofluidic fuel cell that utilizes fluid flow through nanoporous media is conceptualized and demonstrated for the first time. This transformative concept captures the advantages of recently developed membraneless and catalyst-free fuel cell architectures paired with the enhanced interfacial contact area enabled by nanofluidics. When compared to previously reported microfluidic fuel cells, the prototype nanofluidic fuel cell demonstrates increased surface area, reduced activation overpotential, superior kinetic characteristics, and moderately enhanced fuel cell performance in the high cell voltage regime with up to 14% higher power density. However, the expected mass transport benefits in the high current density regime were constrained by high ohmic cell resistance, which could likely be resolved through future optimization studies.

  11. Uncertainty analysis on reactivity and discharged inventory for a pressurized water reactor fuel assembly due to {sup 235,238}U nuclear data uncertainties

    DOE Office of Scientific and Technical Information (OSTI.GOV)

    Da Cruz, D. F.; Rochman, D.; Koning, A. J.

    2012-07-01

    This paper discusses the uncertainty analysis on reactivity and inventory for a typical PWR fuel element as a result of uncertainties in {sup 235,238}U nuclear data. A typical Westinghouse 3-loop fuel assembly fuelled with UO{sub 2} fuel with 4.8% enrichment has been selected. The Total Monte-Carlo method has been applied using the deterministic transport code DRAGON. This code allows the generation of the few-groups nuclear data libraries by directly using data contained in the nuclear data evaluation files. The nuclear data used in this study is from the JEFF3.1 evaluation, and the nuclear data files for {sup 238}U and {supmore » 235}U (randomized for the generation of the various DRAGON libraries) are taken from the nuclear data library TENDL. The total uncertainty (obtained by randomizing all {sup 238}U and {sup 235}U nuclear data in the ENDF files) on the reactor parameters has been split into different components (different nuclear reaction channels). Results show that the TMC method in combination with a deterministic transport code constitutes a powerful tool for performing uncertainty and sensitivity analysis of reactor physics parameters. (authors)« less

  12. Oxoferryl-porphyrin radical catalytic intermediate in cytochrome bd oxidases protects cells from formation of reactive oxygen species.

    PubMed

    Paulus, Angela; Rossius, Sebastiaan Gijsbertus Hendrik; Dijk, Madelon; de Vries, Simon

    2012-03-16

    The quinol-linked cytochrome bd oxidases are terminal oxidases in respiration. These oxidases harbor a low spin heme b(558) that donates electrons to a binuclear heme b(595)/heme d center. The reaction with O(2) and subsequent catalytic steps of the Escherichia coli cytochrome bd-I oxidase were investigated by means of ultra-fast freeze-quench trapping followed by EPR and UV-visible spectroscopy. After the initial binding of O(2), the O-O bond is heterolytically cleaved to yield a kinetically competent heme d oxoferryl porphyrin π-cation radical intermediate (compound I) magnetically interacting with heme b(595). Compound I accumulates to 0.75-0.85 per enzyme in agreement with its much higher rate of formation (~20,000 s(-1)) compared with its rate of decay (~1,900 s(-1)). Compound I is next converted to a short lived heme d oxoferryl intermediate (compound II) in a phase kinetically matched to the oxidation of heme b(558) before completion of the reaction. The results indicate that cytochrome bd oxidases like the heme-copper oxidases break the O-O bond in a single four-electron transfer without a peroxide intermediate. However, in cytochrome bd oxidases, the fourth electron is donated by the porphyrin moiety rather than by a nearby amino acid. The production of reactive oxygen species by the cytochrome bd oxidase was below the detection level of 1 per 1000 turnovers. We propose that the two classes of terminal oxidases have mechanistically converged to enzymes in which the O-O bond is broken in a single four-electron transfer reaction to safeguard the cell from the formation of reactive oxygen species.

  13. Quantitative comparison between in vivo DNA adduct formation from exposure to selected DNA-reactive carcinogens, natural background levels of DNA adduct formation and tumour incidence in rodent bioassays.

    PubMed

    Paini, Alicia; Scholz, Gabriele; Marin-Kuan, Maricel; Schilter, Benoît; O'Brien, John; van Bladeren, Peter J; Rietjens, Ivonne M C M

    2011-09-01

    This study aimed at quantitatively comparing the occurrence/formation of DNA adducts with the carcinogenicity induced by a selection of DNA-reactive genotoxic carcinogens. Contrary to previous efforts, we used a very uniform set of data, limited to in vivo rat liver studies in order to investigate whether a correlation can be obtained, using a benchmark dose (BMD) approach. Dose-response data on both carcinogenicity and in vivo DNA adduct formation were available for six compounds, i.e. 2-acetylaminofluorene, aflatoxin B1, methyleugenol, safrole, 2-amino-3,8-dimethylimidazo[4,5-f]quinoxaline and tamoxifen. BMD(10) values for liver carcinogenicity were calculated using the US Environmental Protection Agency BMD software. DNA adduct levels at this dose were extrapolated assuming linearity of the DNA adduct dose response. In addition, the levels of DNA adducts at the BMD(10) were compared to available data on endogenous background DNA damage in the target organ. Although for an individual carcinogen the tumour response increases when adduct levels increase, our results demonstrate that when comparing different carcinogens, no quantitative correlation exists between the level of DNA adduct formation and carcinogenicity. These data confirm that the quantity of DNA adducts formed by a DNA-reactive compound is not a carcinogenicity predictor but that other factors such as type of adduct and mutagenic potential may be equally relevant. Moreover, comparison to background DNA damage supports the notion that the mere occurrence of DNA adducts above or below the level of endogenous DNA damage is neither correlated to development of cancer. These data strongly emphasise the need to apply the mode of action framework to understand the contribution of other biological effect markers playing a role in carcinogenicity.

  14. Radiation enhanced reactivation of herpes simplex virus: effect of caffeine.

    PubMed

    Hellman, K B; Lytle, C D; Bockstahler, L E

    1976-09-01

    Ultaviolet enhanced (Weigle) reactivation of UV-irradiated herpes simplex virus in UV-irradiated CV-1 monkey kidney cell monolayers was decreased by caffeine. X-ray enhanced reactivation of UV-irradiated virus in X-irradiated monolayers (X-ray reactivation) and UV- or X-ray-inactivated capacity of the cells to support unirradiated virus plaque formation were unaffected by caffeine. The results suggest that a caffeine-sensitive process is necessary for the expression of Weigle reactivation for herpes virus. Since cafeine did not significantly affect X-ray reactivation, different mechanisms may be responsible for the expression of Weigle reactivation and X-ray reactivation.

  15. Higher platelet reactivity and platelet-monocyte complex formation in Gram-positive sepsis compared to Gram-negative sepsis.

    PubMed

    Tunjungputri, Rahajeng N; van de Heijden, Wouter; Urbanus, Rolf T; de Groot, Philip G; van der Ven, Andre; de Mast, Quirijn

    2017-09-01

    Platelets may play a role in the high risk for vascular complications in Gram-positive sepsis. We compared the platelet reactivity of 15 patients with Gram-positive sepsis, 17 with Gram-negative sepsis and 20 healthy controls using a whole blood flow cytometry-based assay. Patients with Gram-positive sepsis had the highest median fluorescence intensity (MFI) of the platelet membrane expression of P-selectin upon stimulation with high dose adenosine diphosphate (ADP; P = 0.002 vs. Gram-negative and P = 0.005 vs. control groups) and cross-linked collagen-related peptide (CRP-XL; P = 0.02 vs. Gram-negative and P = 0.0001 vs. control groups). The Gram-positive group also demonstrated significantly higher ADP-induced fibrinogen binding (P = 0.001), as wll as platelet-monocyte complex formation (P = 0.02), compared to the Gram-negative group and had the highest plasma levels of platelet factor 4, β-thromboglobulin and soluble P-selectin. In contrast, thrombin-antithrombin complex and C-reactive protein levels were comparable in both patient groups. In conclusion, common Gram-positive pathogens induce platelet hyperreactivity, which may contribute to a higher risk for vascular complications.

  16. Analysis of fuel options for the breakeven core configuration of the Advanced Recycling Reactor

    DOE Office of Scientific and Technical Information (OSTI.GOV)

    Stauff, N.E.; Klim, T.K.; Taiwo, T.A.

    2013-07-01

    A trade-off study is performed to determine the impacts of various fuel forms on the core design and core physics characteristics of the sodium-cooled Toshiba- Westinghouse Advanced Recycling Reactor (ARR). The fuel forms include oxide, nitride, and metallic forms of U and Th. The ARR core configuration is redesigned with driver and blanket regions in order to achieve breakeven fissile breeding performance with the various fuel types. State-of-the-art core physics tools are used for the analyses. In addition, a quasi-static reactivity balance approach is used for a preliminary comparison of the inherent safety performances of the various fuel options. Thorium-fueledmore » cores exhibit lower breeding ratios and require larger blankets compared to the U-fueled cores, which is detrimental to core compactness and increases reprocessing and manufacturing requirements. The Th cores also exhibit higher reactivity swings through each cycle, which penalizes reactivity control and increases the number of control rods required. On the other hand, using Th leads to drastic reductions in void and coolant expansion coefficients of reactivity, with the potential for enhancing inherent core safety. Among the U-fueled ARR cores, metallic and nitride fuels result in higher breeding ratios due to their higher heavy metal densities. On the other hand, oxide fuels provide a softer spectrum, which increases the Doppler effect and reduces the positive sodium void worth. A lower fuel temperature is obtained with the metallic and nitride fuels due to their higher thermal conductivities and compatibility with sodium bonds. This is especially beneficial from an inherent safety point of view since it facilitates the reactor cool-down during loss of power removal transients. The advantages in terms of inherent safety of nitride and metallic fuels are maintained when using Th fuel. However, there is a lower relative increase in heavy metal density and in breeding ratio going from oxide to

  17. Field Validation of Supercritical CO 2 Reactivity with Basalts

    DOE Office of Scientific and Technical Information (OSTI.GOV)

    McGrail, B. Peter; Schaef, Herbert T.; Spane, Frank A.

    2017-01-10

    Continued global use of fossil fuels places a premium on developing technology solutions to minimize increases in atmospheric CO 2 levels. CO 2 storage in reactive basalts might be one of these solutions by permanently converting injected gaseous CO 2 into solid carbonates. Herein we report results from a field demonstration where ~1000 MT of CO 2 was injected into a natural basalt formation in Eastern Washington State. Following two years of post-injection monitoring, cores were obtained from within the injection zone and subjected to detailed physical and chemical analysis. Nodules found in vesicles throughout the cores were identified asmore » the carbonate mineral, ankerite Ca[Fe, Mg, Mn](CO 3) 2. Carbon isotope analysis showed the nodules are chemically distinct as compared with natural carbonates present in the basalt and clear correlation with the isotopic signature of the injected CO 2. These findings provide field validation of rapid mineralization rates observed from years of laboratory testing with basalts.« less

  18. Borylnitrenes: electrophilic reactive intermediates with high reactivity towards C-H bonds.

    PubMed

    Bettinger, Holger F; Filthaus, Matthias

    2010-12-21

    Borylnitrenes (catBN 3a and pinBN 3b; cat = catecholato, pin = pinacolato) are reactive intermediates that show high tendency towards insertion into the C-H bonds of unactivated hydrocarbons. The present article summarizes the matrix isolation investigations that were aimed at identifying, characterizing and investigating the chemical behaviour of 3a by spectroscopic means, and of the experiments in solution and in the gas phase that were performed with 3b. Comparison with the reactivity reported for difluorovinylidene 1a in solid argon indicates that 3a shows by and large similar reactivity, but only after photochemical excitation. The derivative 3b inserts into the C-H bonds of hydrocarbon solvents in high yields and thus allows the formation of primary amines, secondary amines, or amides from "unreactive" hydrocarbons. It can also be used for generation of methylamine or methylamide from methane in the gas phase at room temperature. Remaining challenges in the chemistry of borylnitrenes are briefly summarized.

  19. Shock tube study of the fuel structure effects on the chemical kinetic mechanisms responsible for soot formation, part 2

    NASA Technical Reports Server (NTRS)

    Frenklach, M.; Clary, D. W.; Ramachandra, M. K.

    1985-01-01

    Soot formation in oxidation of allene, 1,3-butadiene, vinylacetylene and chlorobenzene and in pyrolysis of ethylene, vinylacetylene, 1-butene, chlorobenzene, acetylen-hydrogen, benzene-acetylene, benzene-butadiene and chlorobenzene-acetylene argon-diluted mixtures was studied behind reflected shock waves. The results are rationalized within the framework of the conceptual models. It is shown that vinylacetylene is much less sooty than allene, which indicates that conjugation by itself is not a sufficient factor for determining the sooting tendency of a molecule. Structural reactivity in the context of the chemical kinetics is the dominant factor in soot formation. Detailed chemical kinetic modeling of soot formation in pyrolysis of acetylene is reported. The main mass growth was found to proceed through a single dominant route composed of conventional radical reactions. The practically irreversible formation reactions of the fused polycyclic aromatics and the overshoot by hydrogen atom over its equilibrium concentration are the g-driving kinetic forces for soot formation.

  20. Formation of industrial mixed culture biofilm in chlorophenol cultivated medium of microbial fuel cell

    NASA Astrophysics Data System (ADS)

    Hassan, Huzairy; Jin, Bo; Dai, Sheng; Ngau, Cornelius

    2016-11-01

    The formation of microbial biofilm while maintaining the electricity output is a challenging topic in microbial fuel cell (MFC) studies. This MFC critical factor becomes more significant when handling with industrial wastewater which normally contains refractory and toxic compounds. This study explores the formation of industrial mixed culture biofilm in chlorophenol cultivated medium through observing and characterizing microscopically its establishment on MFC anode surface. The mixed culture was found to develop its biofilm on the anode surface in the chlorophenol environment and established its maturity and dispersal stages with concurrent electricity generation and phenolic degradation. The mixed culture biofilm engaged the electron transfer roles in MFC by generating current density of 1.4 mA/m2 and removing 53 % of 2,4-dichlorophenol. The results support further research especially on hazardous wastewater treatment using a benign and sustainable method.

  1. Chemistry of fuel deposits and sediments and their predursors

    NASA Technical Reports Server (NTRS)

    Mayo, F. R.; Lan, B. Y.; Buttrill, S. E., Jr.; St.john, G. A.

    1984-01-01

    The mechanism of solid deposit formation on hot engine parts from turbine fuels is investigated. Deposit formation is associated with oxidation of the hydrocarbon fuel. Therefore, oxidation rates and soluble gum formation were measured for several jet turbine fuels and pure hydrocarbon mixtures. Experiments were performed at 130 C using thermal initiation and at 100 C using ditertiary butyl peroxide as a chemical initiator. Correlation of the data shows that the ratio of rate of oxidation to rate of gum formation for a single fuel is not much affected by experimental conditions, even though there are differences in the abilities of different hydrocarbons to initiate and continue the oxidation. This indicates a close association of gum formation with the oxidation process. Oxidations of n-dodecane, tetralin and the more unstable jet fuels are autocatalytic, while those of 2-ethylnaphthalene and a stable jet fuel are self-retarding. However, the ratio of oxidation rate to gum formation rate appear to be nearly constant for each substrate. The effect of oxygen pressure on gum and oxidation formation was also studied. Dependence of gum formation on the concentration of initiator at 100 C is discussed and problems for future study are suggested.

  2. Formation of thin walled ceramic solid oxide fuel cells

    DOEpatents

    Claar, Terry D.; Busch, Donald E.; Picciolo, John J.

    1989-01-01

    To reduce thermal stress and improve bonding in a high temperature monolithic solid oxide fuel cell (SOFC), intermediate layers are provided between the SOFC's electrodes and electrolyte which are of different compositions. The intermediate layers are comprised of a blend of some of the materials used in the electrode and electrolyte compositions. Particle size is controlled to reduce problems involving differential shrinkage rates of the various layers when the entire structure is fired at a single temperature, while pore formers are provided in the electrolyte layers to be removed during firing for the formation of desired pores in the electrode layers. Each layer includes a binder in the form of a thermosetting acrylic which during initial processing is cured to provide a self-supporting structure with the ceramic components in the green state. A self-supporting corrugated structure is thus formed prior to firing, which the organic components of the binder and plasticizer removed during firing to provide a high strength, high temperature resistant ceramic structure of low weight and density.

  3. Investigation of the impact of imposed air inlet velocity oscillations on the formation and oxidation of soot using simultaneous 2-Colour-TIRE-LII

    NASA Astrophysics Data System (ADS)

    Aleksandrov, A.; Suntz, R.; Bockhorn, H.

    2015-05-01

    The response of non-premixed swirling flames to acoustic perturbations at various frequencies (0-350 Hz) and the impact of imposed air inlet velocity oscillations on the formation and oxidation of soot are investigated. The results obtained from these flames are of special interest for "rich-quenched-lean" (RQL) combustion concepts applied in modern gas turbines. In RQL combustion, the fuel is initially oxidized by air under fuel-rich conditions in a first stage followed by a fuel-lean combustion step in a second stage. To mimic soot formation and oxidation in RQL combustion, soot particle measurements in highly turbulent, non-premixed swirling natural gas/ethylene-confined flames at imposed air inlet velocity oscillations are performed using simultaneous 2-Colour-Time-Resolved-Laser-Induced Incandescence (simultaneous 2-Colour-TIRE-LII). The latter technique is combined with line-of-sight averaged OH*-chemiluminescence imaging, measurements of the velocity field by high-speed particle imaging velocimetry under reactive combustion conditions and measurements of the mean temperature field obtained by a thermocouple. A natural gas/ethylene mixture (Φ = 1.56, 42 % C2H4, 58 % natural gas, P th = 17.6 kW at atmospheric pressure) is used as a fuel, which is oxidized by air under fuel-rich conditions in the first combustion chamber.

  4. Impact of future fuel properties on aircraft engines and fuel systems

    NASA Technical Reports Server (NTRS)

    Rudey, R. A.; Grobman, J. S.

    1978-01-01

    The effect of modifications in hydrocarbon jet fuels specifications on engine performance, component durability and maintenance, and aircraft fuel system performance is discussed. Specific topics covered include: specific fuel consumption; ignition at relight limits; exhaust emissions; combustor liner temperatures; carbon deposition; gum formation in fuel nozzles, erosion and corrosion of turbine blades and vanes; deposits in fuel system heat exchangers; and pumpability and flowability of the fuel. Data that evaluate the ability of current technology aircraft to accept fuel specification changes are presented, and selected technological advances that can reduce the severity of the problems are described and discussed.

  5. The reactive element effect of yttrium and yttrium silicon on high temperature oxidation of NiCrAl coating

    NASA Astrophysics Data System (ADS)

    Ramandhany, S.; Sugiarti, E.; Desiati, R. D.; Martides, E.; Junianto, E.; Prawara, B.; Sukarto, A.; Tjahjono, A.

    2018-03-01

    The microstructure formed on the bond coat affects the oxidation resistance, particularly the formation of a protective oxide layer. The adhesion of bond coat and TGO increased significantly by addition of reactive element. In the present work, the effect of yttrium and yttrium silicon as reactive element (RE) on NiCrAl coating was investigated. The NiCrAl (without RE) and NiCrAlX (X:Y or YSi) bond coating were deposited on Hastelloy C-276 substrate by High Velocity Oxygen Fuel (HVOF) method. Isothermal oxidation was carried out at 1000 °C for 100 hours. The results showed that the addition of RE could prevent the breakaway oxidation. Therefore, the coating with reactive element were more protective against high temperature oxidation. Furthermore, the oxidation rate of NiCrAlY coating was lower than NiCrAlYSi coating with the total mass change was ±2.394 mg/cm2 after 100 hours of oxidation. The thickness of oxide scale was approximately 1.18 μm consisting of duplex oxide scale of spinel NiCr2O4 in outer scale and protective α-Al2O3 in inner scale.

  6. Modeling CANDU-6 liquid zone controllers for effects of thorium-based fuels

    DOE Office of Scientific and Technical Information (OSTI.GOV)

    St-Aubin, E.; Marleau, G.

    2012-07-01

    We use the DRAGON code to model the CANDU-6 liquid zone controllers and evaluate the effects of thorium-based fuels on their incremental cross sections and reactivity worth. We optimize both the numerical quadrature and spatial discretization for 2D cell models in order to provide accurate fuel properties for 3D liquid zone controller supercell models. We propose a low computer cost parameterized pseudo-exact 3D cluster geometries modeling approach that avoids tracking issues on small external surfaces. This methodology provides consistent incremental cross sections and reactivity worths when the thickness of the buffer region is reduced. When compared with an approximate annularmore » geometry representation of the fuel and coolant region, we observe that the cluster description of fuel bundles in the supercell models does not increase considerably the precision of the results while increasing substantially the CPU time. In addition, this comparison shows that it is imperative to finely describe the liquid zone controller geometry since it has a strong impact of the incremental cross sections. This paper also shows that liquid zone controller reactivity worth is greatly decreased in presence of thorium-based fuels compared to the reference natural uranium fuel, since the fission and the fast to thermal scattering incremental cross sections are higher for the new fuels. (authors)« less

  7. MOLTEN FLUORIDE NUCLEAR REACTOR FUEL

    DOEpatents

    Barton, C.J.; Grimes, W.R.

    1960-01-01

    Molten-salt reactor fuel compositions consisting of mixtures of fluoride salts are reported. In its broadest form, the composition contains an alkali fluoride such as sodium fluoride, zirconium tetrafluoride, and a uranium fluoride, the latter being the tetrafluoride or trifluoride or a mixture of the two. An outstanding property of these fuel compositions is a high coeffieient of thermal expansion which provides a negative temperature coefficient of reactivity in reactors in which they are used.

  8. Experimental and modeling study of fuel interactions with an alkyl nitrate cetane enhancer, 2-ethyl-hexyl nitrate

    DOE PAGES

    Goldsborough, S. S.; Johnson, M. V.; Banyon, C.; ...

    2014-07-15

    Our study investigates the autoignition behavior of two gasoline surrogates doped with an alkyl nitrate cetane enhancer, 2-ethyl-hexyl nitrate (2EHN) to better understand dopant interactions with the fuels, including influences of accelerating kinetic pathways and enhanced exothermicity. A primary reference fuel (PRF) blend of n-heptane/iso-octane, and a toluene reference fuel (TRF) blend of n-heptane/iso-octane/toluene are used where the aromatic fraction of the latter is set to 20% (liquid volume), while the content of n-heptane is adjusted so that the overall reactivity of the undoped fuels is similar, e.g., Anti-Knock Index (AKI) of similar to 91, Cetane Number (CN) similar tomore » 25. Doping levels of 0.1, 1.0 and 3.0% (liquid volume basis) are used where tests are conducted within a rapid compression machine (RCM) at a compressed pressure of 21 bar, covering temperatures from 675 to 1025 K with stoichiometric fuel-oxygen ratios at O-2 = 11.4%. At the experimental conditions, it is found that the doping effectiveness of 2EHN is fairly similar between the two fuels, though 2EHN is more effective in the aromatic blend at the lowest temperatures, while it is slightly more effective in the non-aromatic blend at intermediate temperatures. Furthermore, kinetic modeling of the experiments indicates that although some of the reactivity trends can be captured using a detailed model, the extents of predicted Cetane Number enhancement by 2EHN are too large, while differences in fuel interactions for the two fuels result in excessive stimulation of the non-aromatic blend. Sensitivity analysis using the kinetic model indicates that the CH 2O and CH 3O 2 chemistry are very sensitive to the dopant at all conditions. The rate of 2EHN decomposition is only important at low temperatures where its decomposition rate is slow due to the high activation energy of the reaction. At higher temperatures, dopant-derived 3-heptyl radicals are predicted to play an important role

  9. Relative dynamics and motion control of nanosatellite formation flying

    NASA Astrophysics Data System (ADS)

    Pimnoo, Ammarin; Hiraki, Koju

    2016-04-01

    Orbit selection is a necessary factor in nanosatellite formation mission design/meanwhile, to keep the formation, it is necessary to consume fuel. Therefore, the best orbit design for nanosatellite formation flying should be one that requires the minimum fuel consumption. The purpose of this paper is to analyse orbit selection with respect to the minimum fuel consumption, to provide a convenient way to estimate the fuel consumption for keeping nanosatellite formation flying and to present a simplified method of formation control. The formation structure is disturbed by J2 gravitational perturbation and other perturbing accelerations such as atmospheric drag. First, Gauss' Variation Equations (GVE) are used to estimate the essential ΔV due to the J2 perturbation and atmospheric drag. The essential ΔV presents information on which orbit is good with respect to the minimum fuel consumption. Then, the linear equations which account for J2 gravitational perturbation of Schweighart-Sedwick are presented and used to estimate the fuel consumption to maintain the formation structure. Finally, the relative dynamics motion is presented as well as a simplified motion control of formation structure by using GVE.

  10. Probabilistic analysis on the failure of reactivity control for the PWR

    NASA Astrophysics Data System (ADS)

    Sony Tjahyani, D. T.; Deswandri; Sunaryo, G. R.

    2018-02-01

    The fundamental safety function of the power reactor is to control reactivity, to remove heat from the reactor, and to confine radioactive material. The safety analysis is used to ensure that each parameter is fulfilled during the design and is done by deterministic and probabilistic method. The analysis of reactivity control is important to be done because it will affect the other of fundamental safety functions. The purpose of this research is to determine the failure probability of the reactivity control and its failure contribution on a PWR design. The analysis is carried out by determining intermediate events, which cause the failure of reactivity control. Furthermore, the basic event is determined by deductive method using the fault tree analysis. The AP1000 is used as the object of research. The probability data of component failure or human error, which is used in the analysis, is collected from IAEA, Westinghouse, NRC and other published documents. The results show that there are six intermediate events, which can cause the failure of the reactivity control. These intermediate events are uncontrolled rod bank withdrawal at low power or full power, malfunction of boron dilution, misalignment of control rod withdrawal, malfunction of improper position of fuel assembly and ejection of control rod. The failure probability of reactivity control is 1.49E-03 per year. The causes of failures which are affected by human factor are boron dilution, misalignment of control rod withdrawal and malfunction of improper position for fuel assembly. Based on the assessment, it is concluded that the failure probability of reactivity control on the PWR is still within the IAEA criteria.

  11. Oxoferryl-Porphyrin Radical Catalytic Intermediate in Cytochrome bd Oxidases Protects Cells from Formation of Reactive Oxygen Species*

    PubMed Central

    Paulus, Angela; Rossius, Sebastiaan Gijsbertus Hendrik; Dijk, Madelon; de Vries, Simon

    2012-01-01

    The quinol-linked cytochrome bd oxidases are terminal oxidases in respiration. These oxidases harbor a low spin heme b558 that donates electrons to a binuclear heme b595/heme d center. The reaction with O2 and subsequent catalytic steps of the Escherichia coli cytochrome bd-I oxidase were investigated by means of ultra-fast freeze-quench trapping followed by EPR and UV-visible spectroscopy. After the initial binding of O2, the O–O bond is heterolytically cleaved to yield a kinetically competent heme d oxoferryl porphyrin π-cation radical intermediate (compound I) magnetically interacting with heme b595. Compound I accumulates to 0.75–0.85 per enzyme in agreement with its much higher rate of formation (∼20,000 s−1) compared with its rate of decay (∼1,900 s−1). Compound I is next converted to a short lived heme d oxoferryl intermediate (compound II) in a phase kinetically matched to the oxidation of heme b558 before completion of the reaction. The results indicate that cytochrome bd oxidases like the heme-copper oxidases break the O–O bond in a single four-electron transfer without a peroxide intermediate. However, in cytochrome bd oxidases, the fourth electron is donated by the porphyrin moiety rather than by a nearby amino acid. The production of reactive oxygen species by the cytochrome bd oxidase was below the detection level of 1 per 1000 turnovers. We propose that the two classes of terminal oxidases have mechanistically converged to enzymes in which the O–O bond is broken in a single four-electron transfer reaction to safeguard the cell from the formation of reactive oxygen species. PMID:22287551

  12. Hypophosphites as eco-compatible fuel for membrane-free direct liquid fuel cells.

    PubMed

    Wang, Renhe; Wu, Mengjia; Haller, Servane; Métivier, Pascal; Wang, Yonggang; Xia, Yongyao

    2018-05-07

    Crossover of liquid fuel remains a severe problem for conventional direct liquid fuel cells even when polymer electrolyte membranes are applied. Herein, we report for the first time a membrane-free direct liquid fuel cell powered by alkaline hypophosphite solution. The proof-of-concept fuel cell yields a peak power density of 32 mW cm-2 under air flow at room temperature. The removal of the polymer electrolyte membrane is attributed to the high reactivity and selectivity of Pd and α-MnO2 towards the hypophosphite oxidation on anode and oxygen reduction on the cathode, respectively. The discharge products are analyzed by 31P-NMR and the Faradaic efficiencies have been calculated after discharging at 10 mA cm-2 for 20 hours. The non-toxicity of hypophosphite and membrane-free fuel cell structure provide huge potential for future applications. © 2018 WILEY-VCH Verlag GmbH & Co. KGaA, Weinheim.

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

    DOEpatents

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

    2002-07-09

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

  14. An Atmospheric Pressure Plasma Setup to Investigate the Reactive Species Formation.

    PubMed

    Gorbanev, Yury; Soriano, Robert; O'Connell, Deborah; Chechik, Victor

    2016-11-03

    Non-thermal atmospheric pressure ('cold') plasmas have received increased attention in recent years due to their significant biomedical potential. The reactions of cold plasma with the surrounding atmosphere yield a variety of reactive species, which can define its effectiveness. While efficient development of cold plasma therapy requires kinetic models, model benchmarking needs empirical data. Experimental studies of the source of reactive species detected in aqueous solutions exposed to plasma are still scarce. Biomedical plasma is often operated with He or Ar feed gas, and a specific interest lies in investigation of the reactive species generated by plasma with various gas admixtures (O2, N2, air, H2O vapor, etc.) Such investigations are very complex due to difficulties in controlling the ambient atmosphere in contact with the plasma effluent. In this work, we addressed common issues of 'high' voltage kHz frequency driven plasma jet experimental studies. A reactor was developed allowing the exclusion of ambient atmosphere from the plasma-liquid system. The system thus comprised the feed gas with admixtures and the components of the liquid sample. This controlled atmosphere allowed the investigation of the source of the reactive oxygen species induced in aqueous solutions by He-water vapor plasma. The use of isotopically labelled water allowed distinguishing between the species originating in the gas phase and those formed in the liquid. The plasma equipment was contained inside a Faraday cage to eliminate possible influence of any external field. The setup is versatile and can aid in further understanding the cold plasma-liquid interactions chemistry.

  15. An Atmospheric Pressure Plasma Setup to Investigate the Reactive Species Formation

    PubMed Central

    Gorbanev, Yury; Soriano, Robert; O'Connell, Deborah; Chechik, Victor

    2016-01-01

    Non-thermal atmospheric pressure ('cold') plasmas have received increased attention in recent years due to their significant biomedical potential. The reactions of cold plasma with the surrounding atmosphere yield a variety of reactive species, which can define its effectiveness. While efficient development of cold plasma therapy requires kinetic models, model benchmarking needs empirical data. Experimental studies of the source of reactive species detected in aqueous solutions exposed to plasma are still scarce. Biomedical plasma is often operated with He or Ar feed gas, and a specific interest lies in investigation of the reactive species generated by plasma with various gas admixtures (O2, N2, air, H2O vapor, etc.) Such investigations are very complex due to difficulties in controlling the ambient atmosphere in contact with the plasma effluent. In this work, we addressed common issues of 'high' voltage kHz frequency driven plasma jet experimental studies. A reactor was developed allowing the exclusion of ambient atmosphere from the plasma-liquid system. The system thus comprised the feed gas with admixtures and the components of the liquid sample. This controlled atmosphere allowed the investigation of the source of the reactive oxygen species induced in aqueous solutions by He-water vapor plasma. The use of isotopically labelled water allowed distinguishing between the species originating in the gas phase and those formed in the liquid. The plasma equipment was contained inside a Faraday cage to eliminate possible influence of any external field. The setup is versatile and can aid in further understanding the cold plasma-liquid interactions chemistry. PMID:27842375

  16. 40 CFR 600.302-08 - Fuel economy label format requirements.

    Code of Federal Regulations, 2013 CFR

    2013-07-01

    ... or diesel fuel as calculated in § 600.210-08(a) and (b). (3) The fuel pump logo. (4) The following... *”. The title shall be positioned in the grey area above the window of the fuel pump logo, in a size and...)”]”. Both of these titles are centered in the grey area above the window of the fuel pump logo, with a size...

  17. 40 CFR 600.302-08 - Fuel economy label format requirements.

    Code of Federal Regulations, 2012 CFR

    2012-07-01

    ... or diesel fuel as calculated in § 600.210-08(a) and (b). (3) The fuel pump logo. (4) The following... *”. The title shall be positioned in the grey area above the window of the fuel pump logo, in a size and...)”]”. Both of these titles are centered in the grey area above the window of the fuel pump logo, with a size...

  18. Fuel cycle cost, reactor physics and fuel manufacturing considerations for Erbia-bearing PWR fuel with > 5 wt% U-235 content

    DOE Office of Scientific and Technical Information (OSTI.GOV)

    Franceschini, F.; Lahoda, E. J.; Kucukboyaci, V. N.

    2012-07-01

    The efforts to reduce fuel cycle cost have driven LWR fuel close to the licensed limit in fuel fissile content, 5.0 wt% U-235 enrichment, and the acceptable duty on current Zr-based cladding. An increase in the fuel enrichment beyond the 5 wt% limit, while certainly possible, entails costly investment in infrastructure and licensing. As a possible way to offset some of these costs, the addition of small amounts of Erbia to the UO{sub 2} powder with >5 wt% U-235 has been proposed, so that its initial reactivity is reduced to that of licensed fuel and most modifications to the existingmore » facilities and equipment could be avoided. This paper discusses the potentialities of such a fuel on the US market from a vendor's perspective. An analysis of the in-core behavior and fuel cycle performance of a typical 4-loop PWR with 18 and 24-month operating cycles has been conducted, with the aim of quantifying the potential economic advantage and other operational benefits of this concept. Subsequently, the implications on fuel manufacturing and storage are discussed. While this concept has certainly good potential, a compelling case for its short-term introduction as PWR fuel for the US market could not be determined. (authors)« less

  19. Methods of producing transportation fuel

    DOEpatents

    Nair, Vijay [Katy, TX; Roes, Augustinus Wilhelmus Maria [Houston, TX; Cherrillo, Ralph Anthony [Houston, TX; Bauldreay, Joanna M [Chester, GB

    2011-12-27

    Systems, methods, and heaters for treating a subsurface formation are described herein. At least one method for producing transportation fuel is described herein. The method for producing transportation fuel may include providing formation fluid having a boiling range distribution between -5.degree. C. and 350.degree. C. from a subsurface in situ heat treatment process to a subsurface treatment facility. A liquid stream may be separated from the formation fluid. The separated liquid stream may be hydrotreated and then distilled to produce a distilled stream having a boiling range distribution between 150.degree. C. and 350.degree. C. The distilled liquid stream may be combined with one or more additives to produce transportation fuel.

  20. Heteronuclear Metal Cluster Compounds Synthesis and Reactivity

    DTIC Science & Technology

    1990-08-10

    important role in the formation of complexes with heteronuclear metal - metal bonds. Since this is our Final Report recent results are reported and...DTe FL’ Copy AFOSR-86-0125 Lfl X’ HETERONUCLEAR METAL CLUSTER COMPOUNDS00 SYNTHESIS AND REACTIVITY F. Gordon A. Stone, IDepartment of Inorganic...Security Classification) HETERONUCLEAR METAL CLUSTER COMPOUNDS: SYNTHESIS AND REACTIVITY 12. PERSONAL AUTHOR(S) F. GORDON A. STONE 13a. TYPE OF REPORT

  1. Amide-Directed Photoredox Catalyzed C-C Bond Formation at Unactivated sp3 C-H Bonds

    PubMed Central

    Chu, John C. K.; Rovis, Tomislav

    2017-01-01

    Carbon-carbon (C-C) bond formation is paramount in the synthesis of biologically relevant molecules, modern synthetic materials and commodity chemicals such as fuels and lubricants. Traditionally, the presence of a functional group is required at the site of C-C bond formation. Strategies that allow C-C bond formation at inert carbon-hydrogen (C-H) bonds allow scientists to access molecules which would otherwise be inaccessible and to develop more efficient syntheses of complex molecules.1,2 Herein we report a method for the formation of C-C bonds by directed cleavage of traditionally non-reactive C-H bonds and their subsequent coupling with readily available alkenes. Our methodology allows for the selective C-C bond formation at single C-H bonds in molecules that contain a multitude of seemingly indifferentiable such bonds. Selectivity arises through a relayed photoredox catalyzed oxidation of an N-H bond. We anticipate our findings to serve as a starting point for functionalization at inert C-H bonds through a hydrogen atom transfer strategy. PMID:27732580

  2. Interaction of UV laser pulses with reactive dusty plasmas

    NASA Astrophysics Data System (ADS)

    van de Wetering, Ferdi; Beckers, Job; Nijdam, Sander; Oosterbeek, Wouter; Kovacevic, Eva; Berndt, Johannes

    2016-09-01

    This contribution deals with the effects of UV photons on the synthesis and transport of nanoparticles in reactive complex plasmas (capacitively coupled RF discharge). First measurements showed that the irradiation of a reactive acetylene-argon plasma with high-energy, ns UV laser pulses (355 nm, 75 mJ pulse energy, repetition frequency 10Hz) can have a large effect on the global discharge characteristics. One particular example concerns the formation of a dust void in the center of the discharge. At sufficiently high pulse energies, this formation of a dust free region - which occurs without laser irradiation-is totally suppressed. Moreover the experiments indicate that the laser pulses influence the early stages of the particle formation. Although the interaction between the laser and the plasma is not yet fully understood, it is remarkable that these localized nanosecond laser pulses can influence the plasma on a global scale. Besides new insights into fundamental problems, this phenomenon opens also new possibilities for the controlled manipulation of particle growth and particle transport in reactive plasmas.

  3. Thermal formation of hydroxynitriles, precursors of hydroxyacids in astrophysical ice analogs: Acetone ((CH3)2Cdbnd O) and hydrogen cyanide (HCN) reactivity

    NASA Astrophysics Data System (ADS)

    Fresneau, Aurélien; Danger, Grégoire; Rimola, Albert; Duvernay, Fabrice; Theulé, Patrice; Chiavassa, Thierry

    2015-11-01

    Reactivity in astrophysical environments is still poorly understood. In this contribution, we investigate the thermal reactivity of interstellar ice analogs containing acetone ((CH3)2CO), ammonia (NH3), hydrogen cyanide (HCN) and water (H2O) by means of infrared spectroscopy and mass spectrometry techniques, complemented by quantum chemical calculations. We show that no reaction occurs in H2O:HCN:(CH3)2CO ices. Nevertheless, HCN does indeed react with acetone once activated by NH3 into CN- to form 2-hydroxy-2-methylpropanenitrile (HOsbnd C(CH3)2sbnd CN), with a calculated activation energy associated with the rate determining step of about 51 kJ mol-1. This reaction inhibits the formation of 2-aminopropan-2-ol (HOsbnd C(CH3)2sbnd NH2) from acetone and NH3, even in the presence of water, which is the first step of the Strecker synthesis to form 2-aminoisobutyric acid (NH2C(CH3)2COOH). However, HOsbnd C(CH3)2sbnd CN formation could be part of an alternative chemical pathway leading to 2-hydroxy-2-methyl-propanoic acid (HOC(CH3)2COOH), which could explain the presence of hydroxy acids in some meteorites.

  4. ATR LEU fuel and burnable absorber neutronics performance optimization by fuel meat thickness variation

    DOE Office of Scientific and Technical Information (OSTI.GOV)

    Chang, G.S.

    2008-07-15

    The Advanced Test Reactor (ATR) is a high power density and high neutron flux research reactor operating in the United States. Powered with highly enriched uranium (HEU), the ATR has a maximum thermal power rating of 250 MWth. Because of the large test volumes located in high flux areas, the ATR is an ideal candidate for assessing the feasibility of converting an HEU driven reactor to a low-enriched core. The present work investigates the necessary modifications and evaluates the subsequent operating effects of this conversion. A detailed plate-by-plate MCNP ATR 1/8th core model was developed and validated for a fuelmore » cycle burnup comparison analysis. Using the current HEU U-235 enrichment of 93.0 % as a baseline, an analysis can be performed to determine the low-enriched uranium (LEU) density and U-235 enrichment required in the fuel meat to yield an equivalent K-eff between the HEU core th and the LEU core versus effective full power days (EFPD). The MCNP ATR 1/8th core model will be used to optimize the U-235 loading in the LEU core, such that the differences in K-eff and heat flux profile between the HEU and LEU core can be minimized. The depletion methodology MCWO was used to calculate K-eff versus EFPDs in this paper. The MCWO-calculated results for the LEU cases with foil (U-10Mo) types demonstrated adequate excess reactivity such that the K-eff versus EFPDs plot is similar to the reference ATR HEU case. Each HEU fuel element contains 19 fuel plates with a fuel meat thickness of 0.508 mm. In this work, the proposed LEU (U-10Mo) core conversion case with a nominal fuel meat thickness of 0.381 mm and the same U-235 enrichment (19.7 wt%) can be used to optimize the radial heat flux profile by varying the fuel meat thickness from 0.191 mm (7.5 mil) to 0.343 mm (13.5 mil) at the inner 4 fuel plates (1-4) and outer 4 fuel plates (16-19). In addition, 0.8g of a burnable absorber, Boron-10, was added in the inner and outer plates to reduce the initial excess

  5. ATR LEU Fuel and Burnable Absorber Neutronics Performance Optimization by Fuel Meat Thickness Variation

    DOE Office of Scientific and Technical Information (OSTI.GOV)

    G. S. Chang

    2007-09-01

    The Advanced Test Reactor (ATR) is a high power density and high neutron flux research reactor operating in the United States. Powered with highly enriched uranium (HEU), the ATR has a maximum thermal power rating of 250 MWth. Because of the large test volumes located in high flux areas, the ATR is an ideal candidate for assessing the feasibility of converting an HEU driven reactor to a low-enriched core. The present work investigates the necessary modifications and evaluates the subsequent operating effects of this conversion. A detailed plate-by-plate MCNP ATR 1/8th core model was developed and validated for a fuelmore » cycle burnup comparison analysis. Using the current HEU U 235 enrichment of 93.0 % as a baseline, an analysis can be performed to determine the low-enriched uranium (LEU) density and U-235 enrichment required in the fuel meat to yield an equivalent K-eff between the HEU core and the LEU core versus effective full power days (EFPD). The MCNP ATR 1/8th core model will be used to optimize the U-235 loading in the LEU core, such that the differences in K-eff and heat flux profile between the HEU and LEU core can be minimized. The depletion methodology MCWO was used to calculate K-eff versus EFPDs in this paper. The MCWO-calculated results for the LEU cases with foil (U-10Mo) types demonstrated adequate excess reactivity such that the K-eff versus EFPDs plot is similar to the reference ATR HEU case. Each HEU fuel element contains 19 fuel plates with a fuel meat thickness of 0.508 mm. In this work, the proposed LEU (U-10Mo) core conversion case with a nominal fuel meat thickness of 0.508 mm and the same U-235 enrichment (15.5 wt%) can be used to optimize the radial heat flux profile by varying the fuel plate thickness from 0.254 to 0.457 mm at the inner 4 fuel plates (1-4) and outer 4 fuel plates (16-19). In addition, a 0.7g of burnable absorber Boron-10 was added in the inner and outer plates to reduce the initial excess reactivity, and the inner

  6. Physics of hydride fueled PWR

    NASA Astrophysics Data System (ADS)

    Ganda, Francesco

    The first part of the work presents the neutronic results of a detailed and comprehensive study of the feasibility of using hydride fuel in pressurized water reactors (PWR). The primary hydride fuel examined is U-ZrH1.6 having 45w/o uranium: two acceptable design approaches were identified: (1) use of erbium as a burnable poison; (2) replacement of a fraction of the ZrH1.6 by thorium hydride along with addition of some IFBA. The replacement of 25 v/o of ZrH 1.6 by ThH2 along with use of IFBA was identified as the preferred design approach as it gives a slight cycle length gain whereas use of erbium burnable poison results in a cycle length penalty. The feasibility of a single recycling plutonium in PWR in the form of U-PuH2-ZrH1.6 has also been assessed. This fuel was found superior to MOX in terms of the TRU fractional transmutation---53% for U-PuH2-ZrH1.6 versus 29% for MOX---and proliferation resistance. A thorough investigation of physics characteristics of hydride fuels has been performed to understand the reasons of the trends in the reactivity coefficients. The second part of this work assessed the feasibility of multi-recycling plutonium in PWR using hydride fuel. It was found that the fertile-free hydride fuel PuH2-ZrH1.6, enables multi-recycling of Pu in PWR an unlimited number of times. This unique feature of hydride fuels is due to the incorporation of a significant fraction of the hydrogen moderator in the fuel, thereby mitigating the effect of spectrum hardening due to coolant voiding accidents. An equivalent oxide fuel PuO2-ZrO2 was investigated as well and found to enable up to 10 recycles. The feasibility of recycling Pu and all the TRU using hydride fuels were investigated as well. It was found that hydride fuels allow recycling of Pu+Np at least 6 times. If it was desired to recycle all the TRU in PWR using hydrides, the number of possible recycles is limited to 3; the limit is imposed by positive large void reactivity feedback.

  7. Conclusive evidence of abrupt coagulation inside the void during cyclic nanoparticle formation in reactive plasma

    DOE Office of Scientific and Technical Information (OSTI.GOV)

    Wetering, F. M. J. H. van de; Nijdam, S.; Beckers, J.

    2016-07-25

    In this letter, we present scanning electron microscopy (SEM) results that confirm in a direct way our earlier explanation of an abrupt coagulation event as the cause for the void hiccup. In a recent paper, we reported on the fast and interrupted expansion of voids in a reactive dusty argon–acetylene plasma. The voids appeared one after the other, each showing a peculiar, though reproducible, behavior of successive periods of fast expansion, abrupt contraction, and continued expansion. The abrupt contraction was termed “hiccup” and was related to collective coagulation of a new generation of nanoparticles growing in the void using relativelymore » indirect methods: electron density measurements and optical emission spectroscopy. In this letter, we present conclusive evidence using SEM of particles collected at different moments in time spanning several growth cycles, which enables us to follow the nanoparticle formation process in great detail.« less

  8. The potential pyrophoricity of BMI-SPEC and aluminum plate spent fuels retrieved from underwater storage

    DOE Office of Scientific and Technical Information (OSTI.GOV)

    Ebner, M.A.

    1996-08-01

    Physical/chemical factors in U metal and hydride combustion, particularly pyrophoricity in ambient environment, were evaluated for BMI-SPEC and UAl{sub x} plate fuels. Some metal fuels may be highly reactive (spontaneously igniting in air) due to high specific surface area, high decay heat, or a high U hydride content from corrosion during underwater storage. However, for the BMI-SPEC and the aluminum plate fuels, this reactivity is too low to present a realistic threat of uncontrolled spontaneous combustion at ambient conditions. While residual U hydride is expected in these corroded fuels, the hydride levels are expected to be too low and themore » configuration too unfavorable to ignite the fuel meat when the fuels are retrieved from the basin and dried. Furthermore the composition and microstructure of the UAl{sub x} fuels further mitigate that risk.« less

  9. Permeable bio-reactive barriers to address petroleum hydrocarbon contamination at subantarctic Macquarie Island.

    PubMed

    Freidman, Benjamin L; Terry, Deborah; Wilkins, Dan; Spedding, Tim; Gras, Sally L; Snape, Ian; Stevens, Geoffrey W; Mumford, Kathryn A

    2017-05-01

    A reliance on diesel generated power and a history of imperfect fuel management have created a legacy of petroleum hydrocarbon contamination at subantarctic Macquarie Island. Increasing environmental awareness and advances in contaminant characterisation and remediation technology have fostered an impetus to reduce the environmental risk associated with legacy sites. A funnel and gate permeable bio-reactive barrier (PRB) was installed in 2014 to address the migration of Special Antarctic Blend diesel from a spill that occurred in 2002, as well as older spills and residual contaminants in the soil at the Main Power House. The PRB gate comprised of granular activated carbon and natural clinoptilolite zeolite. Petroleum hydrocarbons migrating in the soil water were successfully captured on the reactive materials, with concentrations at the outflow of the barrier recorded as being below reporting limits. The nutrient and iron concentrations delivered to the barrier demonstrated high temporal variability with significant iron precipitation observed across the bed. The surface of the granular activated carbon was largely free from cell attachment while natural zeolite demonstrated patchy biofilm formation after 15 months following PRB installation. This study illustrates the importance of informed material selection at field scale to ensure that adsorption and biodegradation processes are utilised to manage the environmental risk associated with petroleum hydrocarbon spills. This study reports the first installation of a permeable bio-reactive barrier in the subantarctic. Copyright © 2017 Elsevier Ltd. All rights reserved.

  10. Influence of polymethyl acrylate additive on the formation of particulate matter and NOX emission of a biodiesel-diesel-fueled engine.

    PubMed

    Monirul, Islam Mohammad; Masjuki, Haji Hassan; Kalam, Mohammad Abdul; Zulkifli, Nurin Wahidah Mohd; Shancita, Islam

    2017-08-01

    The aim of this study is to investigate the effect of the polymethyl acrylate (PMA) additive on the formation of particulate matter (PM) and nitrogen oxide (NO X ) emission from a diesel coconut and/or Calophyllum inophyllum biodiesel-fueled engine. The physicochemical properties of 20% of coconut and/or C. inophyllum biodiesel-diesel blend (B20), 0.03 wt% of PMA with B20 (B20P), and diesel fuel were measured and compared to ASTM D6751, D7467, and EN 14214 standard. The test results showed that the addition of PMA additive with B20 significantly improves the cold-flow properties such as pour point (PP), cloud point (CP), and cold filter plugging point (CFPP). The addition of PMA additives reduced the engine's brake-specific energy consumption of all tested fuels. Engine emission results showed that the additive-added fuel reduce PM concentration than B20 and diesel, whereas the PM size and NO X emission both increased than B20 fuel and baseline diesel fuel. Also, the effect of adding PMA into B20 reduced Carbon (C), Aluminum (Al), Potassium (K), and volatile materials in the soot, whereas it increased Oxygen (O), Fluorine (F), Zinc (Zn), Barium (Ba), Chlorine (Cl), Sodium (Na), and fixed carbon. The scanning electron microscope (SEM) results for B20P showed the lower agglomeration than B20 and diesel fuel. Therefore, B20P fuel can be used as an alternative to diesel fuel in diesel engines to lower the harmful emissions without compromising the fuel quality.

  11. Analysis on Reactor Criticality Condition and Fuel Conversion Capability Based on Different Loaded Plutonium Composition in FBR Core

    NASA Astrophysics Data System (ADS)

    Permana, Sidik; Saputra, Geby; Suzuki, Mitsutoshi; Saito, Masaki

    2017-01-01

    Reactor criticality condition and fuel conversion capability are depending on the fuel arrangement schemes, reactor core geometry and fuel burnup process as well as the effect of different fuel cycle and fuel composition. Criticality condition of reactor core and breeding ratio capability have been investigated in this present study based on fast breeder reactor (FBR) type for different loaded fuel compositions of plutonium in the fuel core regions. Loaded fuel of Plutonium compositions are based on spent nuclear fuel (SNF) of light water reactor (LWR) for different fuel burnup process and cooling time conditions of the reactors. Obtained results show that different initial fuels of plutonium gives a significant chance in criticality conditions and fuel conversion capability. Loaded plutonium based on higher burnup process gives a reduction value of criticality condition or less excess reactivity. It also obtains more fuel breeding ratio capability or more breeding gain. Some loaded plutonium based on longer cooling time of LWR gives less excess reactivity and in the same time, it gives higher breeding ratio capability of the reactors. More composition of even mass plutonium isotopes gives more absorption neutron which affects to decresing criticality or less excess reactivity in the core. Similar condition that more absorption neutron by fertile material or even mass plutonium will produce more fissile material or odd mass plutonium isotopes to increase the breeding gain of the reactor.

  12. Supercritical fuel injection system

    NASA Technical Reports Server (NTRS)

    Marek, C. J.; Cooper, L. P. (Inventor)

    1980-01-01

    a fuel injection system for gas turbines is described including a pair of high pressure pumps. The pumps provide fuel and a carrier fluid such as air at pressures above the critical pressure of the fuel. A supercritical mixing chamber mixes the fuel and carrier fluid and the mixture is sprayed into a combustion chamber. The use of fuel and a carrier fluid at supercritical pressures promotes rapid mixing of the fuel in the combustion chamber so as to reduce the formation of pollutants and promote cleaner burning.

  13. Three-Dimensional Ignition and Flame Propagation Above Liquid Fuel Pools: Computational Analysis

    NASA Technical Reports Server (NTRS)

    Cai, Jinsheng; Sirignano, William A.

    2001-01-01

    A three-dimensional unsteady reactive Navier-Stokes code is developed to study the ignition and flame spread above liquid fuels initially below the flashpoint temperature. Opposed air flow to the flame spread due to forced and/or natural convection is considered. Pools of finite width and length are studied in air channels of prescribed height and width. Three-dimensional effects of the flame front near the edge of the pool are captured in the computation. The formation of a recirculation zone in the gas phase similar to that found in two-dimensional calculations is also present in the three-dimensional calculations. Both uniform spread and pulsating spread modes are found in the calculated results.

  14. Relationships Between Base-Catalyzed Hydrolysis Rates or Glutathione Reactivity for Acrylates and Methacrylates and Their NMR Spectra or Heat of Formation

    PubMed Central

    Fujisawa, Seiichiro; Kadoma, Yoshinori

    2012-01-01

    The NMR chemical shift, i.e., the π-electron density of the double bond, of acrylates and methacrylates is related to the reactivity of their monomers. We investigated quantitative structure-property relationships (QSPRs) between the base-catalyzed hydrolysis rate constants (k1) or the rate constant with glutathione (GSH) (log kGSH) for acrylates and methacrylates and the 13C NMR chemical shifts of their α,β-unsaturated carbonyl groups (δCα and δCβ) or heat of formation (Hf) calculated by the semi-empirical MO method. Reported data for the independent variables were employed. A significant linear relationship between k1 and δCβ, but not δCα, was obtained for methacrylates (r2 = 0.93), but not for acrylates. Also, a significant relationship between k1 and Hf was obtained for both acrylates and methacrylates (r2 = 0.89). By contrast, log kGSH for acrylates and methacrylates was linearly related to their δCβ (r2 = 0.99), but not to Hf. These findings indicate that the 13C NMR chemical shifts and calculated Hf values for acrylates and methacrylates could be valuable for estimating the hydrolysis rate constants and GSH reactivity of these compounds. Also, these data for monomers may be an important tool for examining mechanisms of reactivity. PMID:22754331

  15. Metal organic chemical vapor deposition of environmental barrier coatings for the inhibition of solid deposit formation from heated jet fuel

    NASA Astrophysics Data System (ADS)

    Mohan, Arun Ram

    Solid deposit formation from jet fuel compromises the fuel handling system of an aviation turbine engine and increases the maintenance downtime of an aircraft. The deposit formation process depends upon the composition of the fuel, the nature of metal surfaces that come in contact with the heated fuel and the operating conditions of the engine. The objective of the study is to investigate the effect of substrate surfaces on the amount and nature of solid deposits in the intermediate regime where both autoxidation and pyrolysis play an important role in deposit formation. A particular focus has been directed to examining the effectiveness of barrier coatings produced by metal organic chemical vapor deposition (MOCVD) on metal surfaces for inhibiting the solid deposit formation from jet fuel degradation. In the first part of the experimental study, a commercial Jet-A sample was stressed in a flow reactor on seven different metal surfaces: AISI316, AISI 321, AISI 304, AISI 347, Inconel 600, Inconel 718, Inconel 750X and FecrAlloy. Examination of deposits by thermal and microscopic analysis shows that the solid deposit formation is influenced by the interaction of organosulfur compounds and autoxidation products with the metal surfaces. The nature of metal sulfides was predicted by Fe-Ni-S ternary phase diagram. Thermal stressing on uncoated surfaces produced coke deposits with varying degree of structural order. They are hydrogen-rich and structurally disordered deposits, spherulitic deposits, small carbon particles with relatively ordered structures and large platelets of ordered carbon structures formed by metal catalysis. In the second part of the study, environmental barrier coatings were deposited on tube surfaces to inhibit solid deposit formation from the heated fuel. A new CVD system was configured by the proper choice of components for mass flow, pressure and temperature control in the reactor. A bubbler was designed to deliver the precursor into the reactor

  16. Alternative Fuels Data Center

    Science.gov Websites

    format to determine RINs for each physical gallon of renewable fuel produced in or imported into the -character number assigned to each physical gallon of renewable fuel produced or imported. Obligated parties Transaction System (EMTS). The RIN is attached to the physical gallon of renewable fuel as it is transferred

  17. Stationary Liquid Fuel Fast Reactor

    DOE Office of Scientific and Technical Information (OSTI.GOV)

    Yang, Won Sik; Grandy, Andrew; Boroski, Andrew

    For effective burning of hazardous transuranic (TRU) elements of used nuclear fuel, a transformational advanced reactor concept named SLFFR (Stationary Liquid Fuel Fast Reactor) was proposed based on stationary molten metallic fuel. The fuel enters the reactor vessel in a solid form, and then it is heated to molten temperature in a small melting heater. The fuel is contained within a closed, thick container with penetrating coolant channels, and thus it is not mixed with coolant nor flow through the primary heat transfer circuit. The makeup fuel is semi- continuously added to the system, and thus a very small excessmore » reactivity is required. Gaseous fission products are also removed continuously, and a fraction of the fuel is periodically drawn off from the fuel container to a processing facility where non-gaseous mixed fission products and other impurities are removed and then the cleaned fuel is recycled into the fuel container. A reference core design and a preliminary plant system design of a 1000 MWt TRU- burning SLFFR concept were developed using TRU-Ce-Co fuel, Ta-10W fuel container, and sodium coolant. Conservative design approaches were adopted to stay within the current material performance database. Detailed neutronics and thermal-fluidic analyses were performed to develop a reference core design. Region-dependent 33-group cross sections were generated based on the ENDF/B-VII.0 data using the MC2-3 code. Core and fuel cycle analyses were performed in theta-r-z geometries using the DIF3D and REBUS-3 codes. Reactivity coefficients and kinetics parameters were calculated using the VARI3D perturbation theory code. Thermo-fluidic analyses were performed using the ANSYS FLUENT computational fluid dynamics (CFD) code. Figure 0.1 shows a schematic radial layout of the reference 1000 MWt SLFFR core, and Table 0.1 summarizes the main design parameters of SLFFR-1000 loop plant. The fuel container is a 2.5 cm thick cylinder with an inner radius of 87.5 cm. The

  18. FORMATION PROCESSES AND CONSEQUENCES OF REACTIVE AND NON-REACTIVE MINERAL PRECIPITATES IN PERMEABLE REACTIVE BARRIERS

    EPA Science Inventory

    Mineral precipitates in zero-valent iron PRBs can be classified by formation processes into three groups: 1) those that result from changes in chemical conditions (i.e., change in pH, e.g., calcite); 2) those that are a consequence of microbial activity (i.e., sulfate reduction, ...

  19. Quantification of CO2-FLUID-ROCK Reactions Using Reactive and Non-Reactive Tracers

    NASA Astrophysics Data System (ADS)

    Matter, J.; Stute, M.; Hall, J. L.; Mesfin, K. G.; Gislason, S. R.; Oelkers, E. H.; Sigfússon, B.; Gunnarsson, I.; Aradottir, E. S.; Alfredsson, H. A.; Gunnlaugsson, E.; Broecker, W. S.

    2013-12-01

    Carbon dioxide mineralization via fluid-rock reactions provides the most effective and long-term storage option for geologic carbon storage. Injection of CO2 in geologic formations induces CO2 -fluid-rock reactions that may enhance or decrease the storage permanence and thus the long-term safety of geologic carbon storage. Hence, quantitative characterization of critical CO2 -fluid-rock interactions is essential to assess the storage efficiency and safety of geologic carbon storage. In an attempt to quantify in-situ fluid-rock reactions and CO2 transport relevant for geologic carbon storage, we are testing reactive (14C, 13C) and non-reactive (sodium fluorescein, amidorhodamine G, SF5CF3, and SF6) tracers in an ongoing CO2 injection in a basaltic storage reservoir at the CARBFIX pilot injection site in Iceland. At the injection site, CO2 is dissolved in groundwater and injected into a permeable basalt formation located 500-800 m below the surface [1]. The injected CO2 is labeled with 14C by dynamically adding calibrated amounts of H14CO3-solution into the injection stream in addition to the non-reactive tracers. Chemical and isotopic analyses of fluid samples collected in a monitoring well, reveal fast fluid-rock reactions. Maximum SF6 concentration in the monitoring well indicates the bulk arrival of the injected CO2 solution but dissolved inorganic carbon (DIC) concentration and pH values close to background, and a potentially lower 14C to SF6 ratio than the injection ratio suggest that most of the injected CO2 has reacted with the basaltic rocks. This is supported by δ13CDIC, which shows a drop from values close to the δ 13C of the injected CO2 gas (-3‰ VPDB) during breakthrough of the CO2 plume to subsequent more depleted values (-11.25‰ VPDB), indicating precipitation of carbonate minerals. Preliminary mass balance calculations using mixing relationships between the background water in the storage formation and the injected solution, suggest that

  20. Experimental investigation of homogeneous charge compression ignition combustion of biodiesel fuel with external mixture formation in a CI engine.

    PubMed

    Ganesh, D; Nagarajan, G; Ganesan, S

    2014-01-01

    In parallel to the interest in renewable fuels, there has also been increased interest in homogeneous charge compression ignition (HCCI) combustion. HCCI engines are being actively developed because they have the potential to be highly efficient and to produce low emissions. Even though HCCI has been researched extensively, few challenges still exist. These include controlling the combustion at higher loads and the formation of a homogeneous mixture. To obtain better homogeneity, in the present investigation external mixture formation method was adopted, in which the fuel vaporiser was used to achieve excellent HCCI combustion in a single cylinder air-cooled direct injection diesel engine. In continuation of our previous works, in the current study a vaporised jatropha methyl ester (JME) was mixed with air to form a homogeneous mixture and inducted into the cylinder during the intake stroke to analyze the combustion, emission and performance characteristics. To control the early ignition of JME vapor-air mixture, cooled (30 °C) Exhaust gas recirculation (EGR) technique was adopted. The experimental result shows 81% reduction in NOx and 72% reduction in smoke emission.

  1. Hematin−Hematin Self-Association States Involved in the Formation and Reactivity of the Malaria Parasite Pigment, Hemozoin

    DOE Office of Scientific and Technical Information (OSTI.GOV)

    Klonis, Nectarios; Dilanian, Ruben; Hanssen, Eric

    The malaria parasite pigment, hemozoin, is a crystal of ferriprotoporphyrin IX (FP-Fe(III)), a product of hemoglobin digestion. Hemozoin formation is essential for FP-Fe(III) detoxification in the parasite; it is the main target of quinoline antimalarials and can modulate immune and inflammation responses. To gain further insight into the likely mechanisms of crystal formation and hemozoin reactivity, we have reanalyzed the crystal structure data for {beta}-hematin and solved the crystal structure of Plasmodium falciparum hemozoin. The analysis reveals that the structures are very similar and highlights two previously unexplored modes of FP-Fe(III) self-association involving {pi}-{pi} interactions that may initiate crystal formationmore » and help to stabilize the extended structure. Hemozoin can be considered to be a crystal composed of {pi}-{pi} dimers stabilized by iron-carboxylate linkages. As a result, it is predicted that two surfaces of the crystal would consist of {pi}-{pi} dimers with Fe(III) partly exposed to solvent and capable of undergoing redox reactions. Accordingly, we demonstrate that the crystal possesses both general peroxidase activity and the ability to cause lipid oxidation.« less

  2. Transformation of Reactive Iron Minerals in a Permeable Reactive Barrier (Biowall) Used to Treat TCE in Groundwater

    EPA Science Inventory

    Abstract: Iron and sulfur reducing conditions are generally created in permeable reactive barrier (PRB) systems constructed for groundwater treatment, which usually leads to formation of iron sulfide phases. Iron sulfides have been shown to play an important role in degrading ch...

  3. Nanoparticle forming reactive plasmas: a multidiagnostic approach

    NASA Astrophysics Data System (ADS)

    Hinz, Alexander; Wahl, Erik von; Faupel, Franz; Strunskus, Thomas; Kersten, Holger

    2018-05-01

    With an ever increasing interest in functional materials based on nanoparticles a large amount of research in this field is dedicated to the development of new production methods for nanoparticles. A promising class of methods for the production of nanoparticles is reactive plasmas. However, since the particle formation process and the interaction between the particles and the plasma are so far not completely understood, it remains difficult to control the particle formation. As the interaction between the nanoparticles and the plasma in which they are dispersed is complex the use of one or two diagnostics often provides only an incomplete understanding of the involved processes. Thus a multidiagnostic approach is needed. This contribution reviews the latest results from the study of nanoparticle formation in a hydrocarbon-based reactive plasma by such a multidiagnostic approach. It is shown that the use of various diagnostics like an IV-probe, optical emission spectroscopy, and a multipole resonance probe in conjunction with an investigation of the particle formation provides a much more detailed picture of these interesting, yet challenging, systems. Contribution to the Topical Issue "Fundamentals of Complex Plasmas", edited by Jürgen Meichsner, Michael Bonitz, Holger Fehske, Alexander Piel.

  4. A perspective on the range of gasoline compression ignition combustion strategies for high engine efficiency and low NOx and soot emissions: Effects of in-cylinder fuel stratification

    DOE PAGES

    Dempsey, Adam B.; Curran, Scott J.; Wagner, Robert M.

    2016-01-14

    Many research studies have shown that low temperature combustion in compression ignition engines has the ability to yield ultra-low NOx and soot emissions while maintaining high thermal efficiency. To achieve low temperature combustion, sufficient mixing time between the fuel and air in a globally dilute environment is required, thereby avoiding fuel-rich regions and reducing peak combustion temperatures, which significantly reduces soot and NOx formation, respectively. It has been demonstrated that achieving low temperature combustion with diesel fuel over a wide range of conditions is difficult because of its properties, namely, low volatility and high chemical reactivity. On the contrary, gasolinemore » has a high volatility and low chemical reactivity, meaning it is easier to achieve the amount of premixing time required prior to autoignition to achieve low temperature combustion. In order to achieve low temperature combustion while meeting other constraints, such as low pressure rise rates and maintaining control over the timing of combustion, in-cylinder fuel stratification has been widely investigated for gasoline low temperature combustion engines. The level of fuel stratification is, in reality, a continuum ranging from fully premixed (i.e. homogeneous charge of fuel and air) to heavily stratified, heterogeneous operation, such as diesel combustion. However, to illustrate the impact of fuel stratification on gasoline compression ignition, the authors have identified three representative operating strategies: partial, moderate, and heavy fuel stratification. Thus, this article provides an overview and perspective of the current research efforts to develop engine operating strategies for achieving gasoline low temperature combustion in a compression ignition engine via fuel stratification. In this paper, computational fluid dynamics modeling of the in-cylinder processes during the closed valve portion of the cycle was used to illustrate the opportunities

  5. A perspective on the range of gasoline compression ignition combustion strategies for high engine efficiency and low NOx and soot emissions: Effects of in-cylinder fuel stratification

    DOE Office of Scientific and Technical Information (OSTI.GOV)

    Dempsey, Adam B.; Curran, Scott J.; Wagner, Robert M.

    Many research studies have shown that low temperature combustion in compression ignition engines has the ability to yield ultra-low NOx and soot emissions while maintaining high thermal efficiency. To achieve low temperature combustion, sufficient mixing time between the fuel and air in a globally dilute environment is required, thereby avoiding fuel-rich regions and reducing peak combustion temperatures, which significantly reduces soot and NOx formation, respectively. It has been demonstrated that achieving low temperature combustion with diesel fuel over a wide range of conditions is difficult because of its properties, namely, low volatility and high chemical reactivity. On the contrary, gasolinemore » has a high volatility and low chemical reactivity, meaning it is easier to achieve the amount of premixing time required prior to autoignition to achieve low temperature combustion. In order to achieve low temperature combustion while meeting other constraints, such as low pressure rise rates and maintaining control over the timing of combustion, in-cylinder fuel stratification has been widely investigated for gasoline low temperature combustion engines. The level of fuel stratification is, in reality, a continuum ranging from fully premixed (i.e. homogeneous charge of fuel and air) to heavily stratified, heterogeneous operation, such as diesel combustion. However, to illustrate the impact of fuel stratification on gasoline compression ignition, the authors have identified three representative operating strategies: partial, moderate, and heavy fuel stratification. Thus, this article provides an overview and perspective of the current research efforts to develop engine operating strategies for achieving gasoline low temperature combustion in a compression ignition engine via fuel stratification. In this paper, computational fluid dynamics modeling of the in-cylinder processes during the closed valve portion of the cycle was used to illustrate the opportunities

  6. 40 CFR 600.307-95 - Fuel economy label format requirements.

    Code of Federal Regulations, 2011 CFR

    2011-07-01

    ... pump logo. (iv) The phrase “Compare this [vehicle/truck] to others in the FREE FUEL ECONOMY GUIDE... (example “METHANOL “(M85))”)”. The title shall be positioned above the fuel pump logo and shall be in upper... automobiles, the title “NATURAL GAS*”. The title shall be positioned above the fuel pump logo and shall be in...

  7. Life-Cycle Assessment of Cookstove Fuels in India and China ...

    EPA Pesticide Factsheets

    A life cycle assessment (LCA) was conducted to compare the environmental footprint of current and possible fuels used for cooking within China and India. Current fuel mix profiles are compared to scenarios of projected differences in and/or cleaner cooking fuels. Results are reported for a suite of relevant life cycle impact assessment indicators: global climate change, energy demand, fossil depletion, water consumption, particulate matter formation, acidification, eutrophication and photochemical smog formation. Traditional fuels demonstrate notably poor relative performance in particulate matter formation, photochemical oxidant formation, freshwater eutrophication, and black carbon emissions. Most fuels demonstrate trade-offs between impact categories. Stove efficiency is found to be a crucial variable determining environmental performance across all impact categories. The study shows that electricity and many of the processed fuels, while yielding emission reductions in homes at the point of use, transfer many of those emissions upstream into the processing and distribution life cycle stage. To conduct LCA study of the cookstove fuels being used in India and China to determine how fuels and stoves compare based on a holistic assessment considering the LCA environmental tradeoffs

  8. The Mechanical Response of Advanced Claddings during Proposed Reactivity Initiated Accident Conditions

    DOE Office of Scientific and Technical Information (OSTI.GOV)

    Cinbiz, Mahmut N; Brown, Nicholas R; Terrani, Kurt A

    2017-01-01

    This study investigates the failure mechanisms of advanced nuclear fuel cladding of FeCrAl at high-strain rates, similar to design basis reactivity initiated accidents (RIA). During RIA, the nuclear fuel cladding was subjected to the plane-strain to equibiaxial tension strain states. To achieve those accident conditions, the samples were deformed by the expansion of high strength Inconel alloy tube under pre-specified pressure pulses as occurring RIA. The mechanical response of the advanced claddings was compared to that of hydrided zirconium-based nuclear fuel cladding alloy. The hoop strain evolution during pressure pulses were collected in situ; the permanent diametral strains of bothmore » accident tolerant fuel (ATF) claddings and the current nuclear fuel alloys were determined after rupture.« less

  9. Supplemental Reactor Physics Calculations and Analysis of ELF Mk 1A Fuel

    DOE Office of Scientific and Technical Information (OSTI.GOV)

    Pope, Michael A.

    2014-10-01

    These calculations supplement previous the reactor physics work evaluating the Enhanced Low Enriched Uranium (LEU) Fuel (ELF) Mk 1A element. This includes various additional comparisons between the current Highly Enriched Uranium (HEU) and LEU along with further characterization of the performance of the ELF fuel. The excess reactivity to be held down at BOC for ELF Mk 1A fuel is estimated to be approximately $2.75 greater than with HEU for a typical cycle. This is a combined effect of the absence of burnable poison in the ELF fuel and the reduced neck shim worth in LEU fuel compared to HEU.more » Burnable poison rods were conceptualized for use in the small B positions containing Gd2O3 absorber. These were shown to provide $2.37 of negative reactivity at BOC and to burn out in less than half of a cycle. The worth of OSCCs is approximately the same between HEU and ELF Mk 1A (LEU) fuels in the representative loading evaluated. This was evaluated by rotating all banks simultaneously. The safety rod worth is relatively unchanged between HEU and ELF Mk 1A (LEU) fuels in the representative loading evaluated. However, this should be reevaluated with different loadings. Neutron flux, both total and fast (>1 MeV), is either the same or reduced upon changing from HEU to ELF Mk 1A (LEU) fuels in the representative loading evaluated. This is consistent with the well-established trend of lower neutron fluxes for a given power in LEU than HEU.The IPT loop void reactivity is approximately the same or less positive with ELF Mk 1A (LEU) fuel than HEU in the representative loading evaluated.« less

  10. Wet Deposition Flux of Reactive Organic Carbon

    NASA Astrophysics Data System (ADS)

    Safieddine, S.; Heald, C. L.

    2016-12-01

    Reactive organic carbon (ROC) is the sum of non-methane volatile organic compounds (NMVOCs) and primary and secondary organic aerosols (OA). ROC plays a key role in driving the chemistry of the atmosphere, affecting the hydroxyl radical concentrations, methane lifetime, ozone formation, heterogeneous chemical reactions, and cloud formation, thereby impacting human health and climate. Uncertainties on the lifecycle of ROC in the atmosphere remain large. In part this can be attributed to the large uncertainties associated with the wet deposition fluxes. Little is known about the global magnitude of wet deposition as a sink of both gas and particle phase organic carbon, making this an important area for research and sensitivity testing in order to better understand the global ROC budget. In this study, we simulate the wet deposition fluxes of the reactive organic carbon of the troposphere using a global chemistry transport model, GEOS-Chem. We start by showing the current modeled global distribution of ROC wet deposition fluxes and investigate the sensitivity of these fluxes to variability in Henry's law solubility constants and spatial resolution. The average carbon oxidation state (OSc) is a useful metric that depicts the degree of oxidation of atmospheric reactive carbon. Here, we present for the first time the simulated gas and particle phase OSc of the global troposphere. We compare the OSc in the wet deposited reactive carbon flux and the dry deposited reactive carbon flux to the OSc of atmospheric ROC to gain insight into the degree of oxidation in deposited material and, more generally, the aging of organic material in the troposphere.

  11. Reactivities of Precision Cleaning Solvents with Hypergolic Propellants

    NASA Technical Reports Server (NTRS)

    Davis, Dennis D.; Delgado, Rafael H.; Williams, James H.

    1999-01-01

    The reactivities of several selected halogenated precision cleaning solvents with hypergolic propellants has been determined by analysis of the rates of formation of halide ion decomposition products. The solvents were Asahiklin AK 225, Asahiklin AK 225 AES, HFE 7100, HFE 7100 DE, Vertrel XF, Vertrel MCA, Vertrel MCA Plus, 1,1,2-trichloro-1,2,2-trifluoroethane (CFC-113), and trans-1,2-dichloroethylene (DCE). The propellants were hydrazine (HZ), monomethylhydrazine (MMH), and mixed oxides of nitrogen (MON-3). The Vertrel solvents showed significant reactivity with HZ. All of the solvents except DCE exhibited significant reactivity with MMH, particularly HFE 7100 DE and CFC-113. HFE 7100 DE, Vertrel MCA, and Vertrel MCA Plus also showed significant reactivity with MON-3 oxidizer.

  12. Effects of gasoline reactivity and ethanol content on boosted premixed and partially stratified low-temperature gasoline combustion (LTGC)

    DOE PAGES

    Dec, John E.; Yang, Yi; Ji, Chunsheng; ...

    2015-04-14

    Low-temperature gasoline combustion (LTGC), based on the compression ignition of a premixed or partially premixed dilute charge, can provide thermal efficiencies (TE) and maximum loads comparable to those of turbo-charged diesel engines, and ultra-low NOx and particulate emissions. Intake boosting is key to achieving high loads with dilute combustion, and it also enhances the fuel's autoignition reactivity, reducing the required intake heating or hot residuals. These effects have the advantages of increasing TE and charge density, allowing greater timing retard with good stability, and making the fuel Φ- sensitive so that partial fuel stratification (PFS) can be applied for highermore » loads and further TE improvements. However, at high boost the autoignition reactivity enhancement can become excessive, and substantial amounts of EGR are required to prevent overly advanced combustion. Accordingly, an experimental investigation has been conducted to determine how the tradeoff between the effects of intake boost varies with fuel-type and its impact on load range and TE. Five fuels are investigated: a conventional AKI=87 petroleum-based gasoline (E0), and blends of 10 and 20% ethanol with this gasoline to reduce its reactivity enhancement with boost (E10 and E20). Furthermore, a second zero-ethanol gasoline with AKI=93 (matching that of E20) was also investigated (CF-E0), and some neat ethanol data are also reported.« less

  13. Dynamics of localized charges in dopamine-modified TiO{sub 2} and their effect on the formation of reactive oxygen species.

    DOE Office of Scientific and Technical Information (OSTI.GOV)

    Dimitrijevic, N.; Rozhkova, E.; Rajh, T.

    Modification of TiO{sub 2} nanoparticles with dopamine enables harvesting of visible light and promotes spatial separation of charges. The formation of reactive oxygen species (OH, {sup 1}O{sub 2}, O{sub 2}{sup -}, HO{sub 2}, H{sub 2}O{sub 2}) upon illumination of TiO{sub 2}/dopamine was studied using complementary spin-trap EPR and radical-induced fluorescence techniques. The localization of holes on dopamine suppresses oxidation of adsorbed water molecules at the surface of nanoparticles, and thus formation of OH radicals. At the same time, dopamine does not affect electronic properties of photogenerated electrons and their reaction with dissolved oxygen to produce superoxide anions. Superoxide anions aremore » proposed to generate singlet oxygen through dismutation reaction, resulting in a low yield of {sup 1}O{sub 2} detected.« less

  14. Reactive Power Compensation Using an Energy Management System

    DTIC Science & Technology

    2014-09-01

    bulk power grid or independent of the grid in islanded mode using various DG sources ( photovoltaic panels, fuel cells, gas generators, batteries...developed in order to forecast the system’s response to both capacitive and inductive power demands on the grid. The process was then confirmed in a...NAVAL POSTGRADUATE SCHOOL MONTEREY, CALIFORNIA THESIS Approved for public release; distribution is unlimited REACTIVE POWER

  15. Long term deposit formation in aviation turbine fuel at elevated temperature

    NASA Technical Reports Server (NTRS)

    Giovanetti, A. J.; Szetela, E. J.

    1986-01-01

    An experimental characterization is conducted for the relationships between deposit mass, operating time, and temperature, in coking associated with aviation fuels under conditions simulating those typical of turbine engine fuel systems. Jet A and Suntech A fuels were tested in stainless steel tubing heated to 420-750 K, over test durations of between 3 and 730 hr and at fuel velocities of 0.07-1.3 m/sec. Deposit rates are noted to be a strong function of tube temperature; for a given set of test conditions, deposition rates for Suntech A exceed those of Jet A by a factor of 10. Deposition rates increased markedly with test duration for both fuels. The heated tube data obtained are used to develop a global chemical kinetic model for fuel oxidation and carbon deposition.

  16. Reaction-space analysis of homogeneous charge compression ignition combustion with varying levels of fuel stratification under positive and negative valve overlap conditions

    DOE PAGES

    Kodavasal, Janardhan; Lavoie, George A.; Assanis, Dennis N.; ...

    2015-10-26

    Full-cycle computational fluid dynamics simulations with gasoline chemical kinetics were performed to determine the impact of breathing and fuel injection strategies on thermal and compositional stratification, combustion and emissions during homogeneous charge compression ignition combustion. The simulations examined positive valve overlap and negative valve overlap strategies, along with fueling by port fuel injection and direct injection. The resulting charge mass distributions were analyzed prior to ignition using ignition delay as a reactivity metric. The reactivity stratification arising from differences in the distributions of fuel–oxygen equivalence ratio (Φ FO), oxygen molar fraction (χ O2) and temperature (T) was determined for threemore » parametric studies. In the first study, the reactivity stratification and burn duration for positive valve overlap valve events with port fuel injection and early direct injection were nearly identical and were dominated by wall-driven thermal stratification. nitrogen oxide (NO) and carbon monoxide (CO) emissions were negligible for both injection strategies. In the second study, which examined negative valve overlap valve events with direct injection and port fuel injection, reactivity stratification increased for direct injection as the Φ FO and T distributions associated with direct fuel injection into the hot residual gas were positively correlated; however, the latent heat absorbed from the hot residual gas by the evaporating direct injection fuel jet reduced the overall thermal and reactivity stratification. These stratification effects were offsetting, resulting in similar reactivity stratification and burn durations for the two injection strategies. The higher local burned gas temperatures with direct injection resulted in an order of magnitude increase in NO, while incomplete combustion of locally over-lean regions led to a sevenfold increase in CO emissions compared to port fuel injection. The final

  17. Influence of high-temperature steam on the reactivity of CaO sorbent for CO₂ capture.

    PubMed

    Donat, Felix; Florin, Nicholas H; Anthony, Edward J; Fennell, Paul S

    2012-01-17

    Calcium looping is a high-temperature CO(2) capture technology applicable to the postcombustion capture of CO(2) from power station flue gas, or integrated with fuel conversion in precombustion CO(2) capture schemes. The capture technology uses solid CaO sorbent derived from natural limestone and takes advantage of the reversible reaction between CaO and CO(2) to form CaCO(3); that is, to achieve the separation of CO(2) from flue or fuel gas, and produce a pure stream of CO(2) suitable for geological storage. An important characteristic of the sorbent, affecting the cost-efficiency of this technology, is the decay in reactivity of the sorbent over multiple CO(2) capture-and-release cycles. This work reports on the influence of high-temperature steam, which will be present in flue (about 5-10%) and fuel (∼20%) gases, on the reactivity of CaO sorbent derived from four natural limestones. A significant increase in the reactivity of these sorbents was found for 30 cycles in the presence of steam (from 1-20%). Steam influences the sorbent reactivity in two ways. Steam present during calcination promotes sintering that produces a sorbent morphology with most of the pore volume associated with larger pores of ∼50 nm in diameter, and which appears to be relatively more stable than the pore structure that evolves when no steam is present. The presence of steam during carbonation reduces the diffusion resistance during carbonation. We observed a synergistic effect, i.e., the highest reactivity was observed when steam was present for both calcination and carbonation.

  18. Processing Plan for Potentially Reactive/Ignitable Remote Handled Transuranic Waste at the Idaho Cleanup Project - 12090

    DOE Office of Scientific and Technical Information (OSTI.GOV)

    Troescher, Patrick D.; Hobbes, Tammy L.; Anderson, Scott A.

    containers for later packaging. Recoverable fissile waste material (Fuel and fuel-like pieces) suspected of containing sodium bonded pieces) are segregated and will remain in the sieve or transferred to a similar immersion basket in the ARS. The fuel like pieces will be placed into a container with sufficient water to cover the recoverable fissile waste. If a 'reactive characteristic' is present the operator will be able to observe the formation of 'violent' hydrogen gas bubbles. When sodium bonded fuel-like pieces are placed in water the expected reaction is a non-violent reaction that does not meet the definition of reactivity. It is expected that there will be a visible small stream of bubbles present if there is any sodium-bonded fuel-like piece placed in the water. The test will be completed when there is no reaction or the expected reaction is observed..At that point, the fuel like pieces complete the processing cycle in preparation for characterization and shipment to WIPP. If a violent reaction occurs, the fuel-like pieces will be removed from the water, split into the required fissile material content, placed into a screened basket in a 1 gallon drum and drummed out of the hot cell with appropriate RCRA codes applied and placed into storage until sodium treatment is available. These 'violent' reactions will be evidenced by gas bubbles being evolved at the specimen surface where sodium metal is present. The operators will be trained to determine if the reaction is 'violent' or 'mild'. If a 'violent' reaction occurs, the sieve will be immediately removed from the water, placed in a 1 gallon paint can, canned in the argon cover gas and removed from the hot cell to await a future treatment. If the reaction is 'mild', the sieve will then be removed from the water; the material weighed for final packaging and allowed to dry by air exposure. Lot 2 waste cans can be opened, sorted, processed, and weighed while mitigating the potential of thermal events that could occur

  19. Final report on accident tolerant fuel performance analysis of APMT-Steel Clad/UO₂ fuel and APMT-Steel Clad/UN-U₃Si₅ fuel concepts

    DOE Office of Scientific and Technical Information (OSTI.GOV)

    Unal, Cetin; Galloway, Jack D.

    2014-09-12

    In FY2014 our group completed and documented analysis of new Accident Tolerant Fuel (ATF) concepts using BISON. We have modeled the viability of moving from Zircaloy to stainless steel cladding in traditional light water reactors (LWRs). We have explored the reactivity penalty of this change using the MCNP-based burnup code Monteburns, while attempting to minimize this penalty by increasing the fuel pellet radius and decreasing the cladding thickness. Fuel performance simulations using BISON have also been performed to quantify changes to structural integrity resulting from thinner stainless steel claddings. We account for thermal and irradiation creep, fission gas swelling, thermalmore » swelling and fuel relocation in the models for both Zircaloy and stainless steel claddings. Additional models that account for the lower oxidation stainless steel APMT are also invoked where available. Irradiation data for HT9 is used as a fallback in the absence of appropriate models. In this study the isotopic vectors within each natural element are varied to assess potential reactivity gains if advanced enrichment capabilities were levied towards cladding technologies. Recommendations on cladding thicknesses for a robust cladding as well as the constitutive components of a less penalizing composition are provided. In the first section (section 1-3), we present results accepted for publication in the 2014 TOPFUEL conference regarding the APMT/UO₂ ATF concept (J. Galloway & C. Unal, Accident Tolerant and Neutronically Favorable LWR Cladding, Proceedings of WRFPM 2014, Sendai, Japan, Paper No.1000050). Next we discuss our preliminary findings from the thermo-mechanical analysis of UN-U₃Si₅ fuel with APMT clad. In this analysis we used models developed from limited data that need to be updated when the irradiation data from ATF-1 test is available. Initial results indicate a swelling rate less than 1.5% is needed to prevent excessive clad stress.« less

  20. Reactive astrocytes and therapeutic potential in focal ischemic stroke

    PubMed Central

    Choudhury, Gourav Roy; Ding, Shinghua

    2015-01-01

    Astrocytes are specialized and the most abundant cell type in the central nervous system (CNS). They play important roles in the physiology of the brain. Astrocytes are also critically involved in many CNS disorders including focal ischemic stroke, the leading cause of brain injury and death in patients. One of the prominent pathological features of a focal ischemic stroke is reactive astrogliosis and glial scar formation. Reactive astrogliosis is accompanied with changes in morphology, proliferation and gene expression in the reactive astrocytes. This study provides an overview of the most recent advances in astrocytic Ca2+ signaling, spatial and temporal dynamics of the morphology and proliferation of reactive astrocytes as well as signaling pathways involved in the reactive astrogliosis after ischemic stroke based on results from experimental studies performed in various animal models. This review also discusses the therapeutic potential of reactive astrocytes in a focal ischemic stroke. As reactive astrocytes exhibit high plasticity, we suggest that modulation of local reactive astrocytes is a promising strategy for cell-based stroke therapy. PMID:25982835

  1. NASA Alternative Aviation Fuel Research

    NASA Astrophysics Data System (ADS)

    Anderson, B. E.; Beyersdorf, A. J.; Thornhill, K. L., II; Moore, R.; Shook, M.; Winstead, E.; Ziemba, L. D.; Crumeyrolle, S.

    2015-12-01

    We present an overview of research conducted by NASA Aeronautics Research Mission Directorate to evaluate the performance and emissions of "drop-in" alternative jet fuels, highlighting experiment design and results from the Alternative Aviation Fuel Experiments (AAFEX-I & -II) and Alternative Fuel-Effects on Contrails and Cruise Emissions flight series (ACCESS-I & II). These projects included almost 100 hours of sampling exhaust emissions from the NASA DC-8 aircraft in both ground and airborne operation and at idle to takeoff thrust settings. Tested fuels included Fischer-Tropsch (FT) synthetic kerosenes manufactured from coal and natural-gas feedstocks; Hydro-treated Esters and Fatty-Acids (HEFA) fuels made from beef-tallow and camelina-plant oil; and 50:50 blends of these alternative fuels with Jet A. Experiments were also conducted with FT and Jet A fuels doped with tetrahydrothiophene to examine the effects of fuel sulfur on volatile aerosol and contrail formation and microphysical properties. Results indicate that although the absence of aromatic compounds in the alternative fuels caused DC-8 fuel-system leaks, the fuels did not compromise engine performance or combustion efficiency. And whereas the alternative fuels produced only slightly different gas-phase emissions, dramatic reductions in non-volatile particulate matter (nvPM) emissions were observed when burning the pure alternative fuels, particularly at low thrust settings where particle number and mass emissions were an order of magnitude lower than measured from standard jet fuel combustion; 50:50 blends of Jet A and alternative fuels typically reduced nvPM emissions by ~50% across all thrust settings. Alternative fuels with the highest hydrogen content produced the greatest nvPM reductions. For Jet A and fuel blends, nvPM emissions were positively correlated with fuel aromatic and naphthalene content. Fuel sulfur content regulated nucleation mode aerosol number and mass concentrations within aging

  2. Increasing Operational Stability in Low NOX GT Combustor Using Fuel Rich Concentric Pilot Combustor

    NASA Astrophysics Data System (ADS)

    Levy, Yeshayahou; Erenburg, Vladimir; Sherbaum, Valery; Ovcharenko, Vitali; Rosentsvit, Leonid; Chudnovsky, Boris; Herszage, Amiel; Talanker, Alexander

    2012-03-01

    Lean combustion is a method in which combustion takes place under low equivalence ratio and relatively low combustion temperatures. As such, it has the potential to lower the effect of the relatively high activation energy nitrogen-oxygen reactions which are responsible for substantial NOX formation during combustion processes. However, lowering temperature reduces the reaction rate and deteriorates combustion stability. The objective of the present study is to reduce the lower equivalence ratio limit of the stable combustion operational boundary in lean Gas Turbine (GT) combustors while still maintaining combustion stability. A lean premixed gaseous combustor was equipped with a surrounding concentric pilot flame operating under rich conditions, thus generating a hot stream of combustion products with significant amount of reactive radicals. The main combustor's fuel-air composition was varied from stoichiometric to lean mixtures. The pilot's mixture composition was also varied by changing the air flow rate, within a limited rich mixtures range. The pilot fuel flow rate was always lower than five percent of the total fuel supply at the specific stage of the experiments.

  3. Where the rubber meets the road: What is needed to sustainably manage reactive nitrogen in the United States?

    EPA Science Inventory

    Reactive nitrogen (N) is essential for food, fuel and fiber production of a growing human population. Intensification of reactive N (defined as any N compound other than N2) release to the environment, however, has resulted in important and mounting impacts on human health and e...

  4. Research on aviation fuel instability

    NASA Technical Reports Server (NTRS)

    Baker, C. E.; Bittker, D. A.; Cohen, S. M.; Seng, G. T.

    1983-01-01

    The underlying causes of fuel thermal degradation are discussed. Topics covered include: nature of fuel instability and its temperature dependence, methods of measuring the instability, chemical mechanisms involved in deposit formation, and instrumental methods for characterizing fuel deposits. Finally, some preliminary thoughts on design approaches for minimizing the effects of lowered thermal stability are briefly discussed.

  5. The role of accelerators in the nuclear fuel cycle

    DOE Office of Scientific and Technical Information (OSTI.GOV)

    Takahashi, Hiroshi.

    1990-01-01

    The use of neutrons produced by the medium energy proton accelerator (1 GeV--3 GeV) has considerable potential in reconstructing the nuclear fuel cycle. About 1.5 {approximately} 2.5 ton of fissile material can be produced annually by injecting a 450 MW proton beam directly into fertile materials. A source of neutrons, produced by a proton beam, to supply subcritical reactors could alleviate many of the safety problems associated with critical assemblies, such as positive reactivity coefficients due to coolant voiding. The transient power of the target can be swiftly controlled by controlling the power of the proton beam. Also, the usemore » of a proton beam would allow more flexibility in the choice of fuel and structural materials which otherwise might reduce the reactivity of reactors. This paper discusses the rate of accelerators in the transmutation of radioactive wastes of the nuclear fuel cycles. 34 refs., 17 figs., 9 tabs.« less

  6. Interaction of coal-derived synthesis gas impurities with solid oxide fuel cell metallic components

    NASA Astrophysics Data System (ADS)

    Marina, Olga A.; Pederson, Larry R.; Coyle, Christopher A.; Edwards, Danny J.; Chou, Yeong-Shyung; Cramer, Carolyn N.

    Oxidation-resistant alloys find use as interconnect materials, heat exchangers, and gas supply tubing in solid oxide fuel cell (SOFC) systems, especially when operated at temperatures below ∼800 °C. If fueled with synthesis gas derived from coal or biomass, such metallic components could be exposed to impurities contained in those fuel sources. In this study, coupons of ferritic stainless steels Crofer 22 APU and SS 441, austenitic nickel-chromium superalloy Inconel 600, and an alumina-forming high nickel alloy alumel were exposed to synthesis gas containing ≤2 ppm phosphorus, arsenic and antimony, and reaction products were tested. Crofer 22 APU coupons coated with a (Mn,Co) 3O 4 protective layer were also evaluated. Phosphorus was found to be the most reactive. On Crofer 22 APU, the (Mn,Cr) 3O 4 passivation layer reacted to form an Mn-P-O product, predicted to be manganese phosphate from thermochemical calculations, and Cr 2O 3. On SS 441, reaction of phosphorus with (Mn,Cr) 3O 4 led to the formation of manganese phosphate as well as an Fe-P product, predicted from thermochemical calculations to be Fe 3P. Minimal interactions with antimony or arsenic in synthesis gas were limited to Fe-Sb and Fe-As solid solution formation. Though not intended for use on the anode side, a (Mn,Co) 3O 4 spinel coating on Crofer 22 APU reacted with phosphorus in synthesis gas to produce products consistent with Mn 3(PO 4) 2 and Co 2P. A thin Cr 2O 3 passivation layer on Inconel 600 did not prevent the formation of nickel phosphides and arsenides and of iron phosphides and arsenides, though no reaction with Cr 2O 3 was apparent. On alumel, an Al 2O 3 passivation layer rich in Ni did not prevent the formation of nickel phosphides, arsenides, and antimonides, though no reaction with Al 2O 3 occurred. This work shows that unprotected metallic components of an SOFC stack and system can provide a sink for P, As and Sb impurities that may be present in fuel gases, and thus complicate

  7. Reactivity of zirconium basic sulfate in the reactions with carbonate, oxalate, and phosphate reagents

    DOE Office of Scientific and Technical Information (OSTI.GOV)

    Nekhamkin, L.G.; Kondrashova, I.A.; Kerina, V.R.

    1987-08-20

    The reactivity of zirconium basic sulfate is determined by the possibility of replacement of oxo- and hydroxo-ligands and decreases with increasing temperature of its precipitation. The interaction of the less reactive zirconium basic sulfate with carbonate and oxalate reagents occurs at 25/sup 0/C without any change in basicity and that with phosphate reagents occurs with a decrease in it, up to the formation of a monophosphate with basicity about 20%. In the interaction of the more reactive zirconium basic sulfate, obtained without heating, oxo- and hydroxo groups can be entirely replaced by acido-ligands with the formation of unhydrolyzed compounds.

  8. Photoirradiation of Retinyl Palmitate in Ethanol with Ultraviolet Light - Formation of Photodecomposition Products, Reactive Oxygen Species, and Lipid Peroxides

    PubMed Central

    Xia, Qingsu; Yin, Jun J.; Wamer, Wayne G.; Cherng, Shu-Hui; Boudreau, Mary D.; Howard, Paul C.; Yu, Hongtao; Fu, Peter P.

    2006-01-01

    We have previously reported that photoirradiation of retinyl palmitate (RP), a storage and ester form of vitamin A (retinol), with UVA light resulted in the formation of photodecomposition products, generation of reactive oxygen species, and induction of lipid peroxidation. In this paper, we report our results following the photoirradiation of RP in ethanol by an UV lamp with approximately equal UVA and UVB light. The photodecomposition products were separated by reversed-phase HPLC and characterized spectroscopically by comparison with authentic standards. The identified products include: 4-keto-RP, 11-ethoxy-12-hydroxy-RP, 13-ethoxy-14-hydroxy-RP, anhydroretinol (AR), and trans- and cis-15-ethoxy-AR. Photoirradiation of RP in the presence of a lipid, methyl linoleate, resulted in induction of lipid peroxidation. Lipid peroxidation was inhibited when sodium azide was present during photoirradiation which suggests free radicals were formed. Our results demonstrate that, similar to irradiation with UVA light, RP can act as a photosensitizer leading to free radical formation and induction of lipid peroxidation following irradiation with UVB light. PMID:16823091

  9. Streptococcus sanguinis induces foam cell formation and cell death of macrophages in association with production of reactive oxygen species.

    PubMed

    Okahashi, Nobuo; Okinaga, Toshinori; Sakurai, Atsuo; Terao, Yutaka; Nakata, Masanobu; Nakashima, Keisuke; Shintani, Seikou; Kawabata, Shigetada; Ooshima, Takashi; Nishihara, Tatsuji

    2011-10-01

    Streptococcus sanguinis, a normal inhabitant of the human oral cavity, is a common streptococcal species implicated in infective endocarditis. Herein, we investigated the effects of infection with S. sanguinis on foam cell formation and cell death of macrophages. Infection with S. sanguinis stimulated foam cell formation of THP-1, a human macrophage cell line. At a multiplicity of infection >100, S. sanguinis-induced cell death of the macrophages. Viable bacterial infection was required to trigger cell death because heat-inactivated S. sanguinis did not induce cell death. The production of cytokines interleukin-1β and tumor necrosis factor-α from macrophages was also stimulated during bacterial infection. Inhibition of the production of reactive oxygen species (ROS) resulted in reduced cell death, suggesting an association of ROS with cell death. Furthermore, S. sanguinis-induced cell death appeared to be independent of activation of inflammasomes, because cleavage of procaspase-1 was not evident in infected macrophages. © 2011 Federation of European Microbiological Societies. Published by Blackwell Publishing Ltd. All rights reserved.

  10. On the reactivity of methylbenzenes

    DOE Office of Scientific and Technical Information (OSTI.GOV)

    Silva, Gabriel da; Bozzelli, Joseph W.

    2010-11-15

    Alkylated aromatic hydrocarbons, including the methylbenzenes, are a major and growing component of liquid transportation fuels. Reactivity (or lack thereof) for the methylbenzenes in combustion systems, measured by octane rating, ignition delay, and laminar flame speed, varies widely with the number and position of methyl substituents. At present this behaviour is not fully understood. This study demonstrates how the low temperature and ignition reactivity of methylbenzenes is controlled by the presence of isolated methyl groups and adjacent methyl pairs (the ortho effect); this allows for the development of octane number correlations. Introduction of an isolated methyl group, adjacent only tomore » CH ring sites, consistently increases the research octane number (RON) by around 26. This phenomenon is explained by the formation of relatively unreactive benzyl free radicals. When an adjacent pair of methyl substituents is present the RON consistently decreases by between 8 and 26, compared to the case when these methyl groups are isolated from each other (this effect generally diminishes with increasing degree of substitution). Research octane numbers for all aromatics with zero to three methyl substituents are accurately described by the empirical relationship RON = 98 + 24.2n{sub m} - 25.8n{sub p}, where n{sub m} is the total number of methyl groups and n{sub p} is the number of contiguous adjacent methyl pairs. The ortho effect is attributed to the unique oxidation chemistry of o-methylbenzyl, o-methylbenzoxyl, and o-methylphenyl type radicals here we provide a preliminary exploration of this chemistry and highlight areas requiring further research. It is shown that the o-methylbenzyl radical can react with two oxygen molecules to form 1,2-diformylbenzene + 2OH + H, a highly chain-branching process. This chemistry is expected to largely explain the two-stage ignition and negative temperature coefficient (NTC) behavior witnessed for polymethylbenzenes with

  11. Pore Formation Process of Porous Ti3SiC2 Fabricated by Reactive Sintering

    PubMed Central

    Zhang, Huibin; Liu, Xinli; Jiang, Yao

    2017-01-01

    Porous Ti3SiC2 was fabricated with high purity, 99.4 vol %, through reactive sintering of titanium hydride (TiH2), silicon (Si) and graphite (C) elemental powders. The reaction procedures and the pore structure evolution during the sintering process were systematically studied by X-ray diffraction (XRD) and scanning electron microscope (SEM). Our results show that the formation of Ti3SiC2 from TiH2/Si/C powders experienced the following steps: firstly, TiH2 decomposed into Ti; secondly, TiC and Ti5Si3 intermediate phases were generated; finally, Ti3SiC2 was produced through the reaction of TiC, Ti5Si3 and Si. The pores formed in the synthesis procedure of porous Ti3SiC2 ceramics are derived from the following aspects: interstitial pores left during the pressing procedure; pores formed because of the TiH2 decomposition; pores formed through the reactions between Ti and Si and Ti and C powders; and the pores produced accompanying the final phase synthesized during the high temperature sintering process. PMID:28772515

  12. Modeling and control of fuel distribution in a dual-fuel internal combustion engine leveraging late intake valve closings

    DOE Office of Scientific and Technical Information (OSTI.GOV)

    Kassa, Mateos; Hall, Carrie; Ickes, Andrew

    Advanced internal combustion engines, although generally more efficient than conventional combustion engines, often encounter limitations in multi-cylinder applications due to variations in the combustion process encountered across cylinders and between cycles. This study leverages experimental data from an inline 6-cylinder heavy-duty dual fuel engine equipped with exhaust gas recirculation (EGR), a variable geometry turbocharger, and a fully-flexible variable intake valve actuation system to study cylinder-to-cylinder variations in power production and the underlying uneven fuel distribution that causes these variations. The engine is operated with late intake valve closure timings in a dual-fuel combustion mode in which a high reactivity fuelmore » is directly injected into the cylinders and a low reactivity fuel is port injected into the cylinders. Both dual fuel implementation and late intake valve closing (IVC) timings have been shown to improve thermal efficiency. However, experimental data from this study reveal that when late IVC timings are used on a multi-cylinder dual fuel engine a significant variation in IMEP across cylinders results and as such, leads to efficiency losses. The difference in IMEP between the different cylinders ranges from 9% at an IVC of 570°ATDC to 38% at an IVC of 610°ATDC and indicates an increasingly uneven fuel distribution. These experimental observations along with engine simulation models developed using GT-Power have been used to better understand the distribution of the port injected fuel across cylinders under various operating conditions on such dual fuel engines. This study revealed that the fuel distribution across cylinders in this dual fuel application is significantly affected by changes in the effective compression ratio as determined by the intake valve close timing as well as the design of the intake system (specifically the length of the intake runners). Late intake valve closures allow a portion of the

  13. Catalysis in high-temperature fuel cells.

    PubMed

    Föger, K; Ahmed, K

    2005-02-17

    Catalysis plays a critical role in solid oxide fuel cell systems. The electrochemical reactions within the cell--oxygen dissociation on the cathode and electrochemical fuel combustion on the anode--are catalytic reactions. The fuels used in high-temperature fuel cells, for example, natural gas, propane, or liquid hydrocarbons, need to be preprocessed to a form suitable for conversion on the anode-sulfur removal and pre-reforming. The unconverted fuel (economic fuel utilization around 85%) is commonly combusted using a catalytic burner. Ceramic Fuel Cells Ltd. has developed anodes that in addition to having electrochemical activity also are reactive for internal steam reforming of methane. This can simplify fuel preprocessing, but its main advantage is thermal management of the fuel cell stack by endothermic heat removal. Using this approach, the objective of fuel preprocessing is to produce a methane-rich fuel stream but with all higher hydrocarbons removed. Sulfur removal can be achieved by absorption or hydro-desulfurization (HDS). Depending on the system configuration, hydrogen is also required for start-up and shutdown. Reactor operating parameters are strongly tied to fuel cell operational regimes, thus often limiting optimization of the catalytic reactors. In this paper we discuss operation of an authothermal reforming reactor for hydrogen generation for HDS and start-up/shutdown, and development of a pre-reformer for converting propane to a methane-rich fuel stream.

  14. Emission sources of non-methane volatile organic compounds (NMVOCs) and their contribution to photochemical ozone (O3) formation at an urban atmosphere in western India.

    NASA Astrophysics Data System (ADS)

    Yadav, R.; Sahu, L. K.; Tripathi, N.; Pal, D.

    2017-12-01

    Atmospheric non-methane volatile organic compounds (NMVOCs) were measured at a sampling site in Udaipur city of western India during 2015 to recognize their pollution levels, variation characteristics, sources and photochemical reactivity. The samples were analyzed for NMVOCs using a Gas Chromatograph equipped with Flame Ionization Detector (GC/FID) and Thermal Desorption (TD) system. The main focus on understand the sources responsible for NMVOC emissions, and evaluating the role of the identified sources towards ozone formation. Hourly variations of various NMVOC species indicate that VOCs mixing ratios were influenced by photochemical removal with OH radicals for reactive species, secondary formation for oxygenated VOCs. In general, higher mixing ratios were observed during winter/pre-monsoon and lower levels during the monsoon season due to the seasonal change in meteorological, transport path of air parcel and boundary layer conditions. The high levels of propane (C3H8) and butane (C4H10) show the dominance of LPG over the study location. The correlation coefficients of typical NMVOC pairs (ethylene/propylene, propylene/isoprene, and ethane/propane) depicted that vehicular emission and natural gas leakages were important sources for atmospheric hydrocarbons in Udaipur. Based on the annual data, PMF analysis suggest the source factors namely biomass burning/ bio-fuel, automobile exhaust, Industrial/ natural gas/power plant emissions, petrol/Diesel, gasoline evaporation, and use of liquid petroleum gas (LPG) contribute to NMVOCs loading. The propylene-equivalent and ozone formation potential of NMVOCs have also been calculated in order to find out their OH reactivity and contribution to the photochemical ozone formation.

  15. Radiation-Driven Formation of Reactive Oxygen Species in Oxychlorine-Containing Mars Surface Analogues.

    PubMed

    Georgiou, Christos D; Zisimopoulos, Dimitrios; Kalaitzopoulou, Electra; Quinn, Richard C

    2017-04-01

    The present study demonstrates that γ-radiolyzed perchlorate-containing Mars soil salt analogues (in a CO 2 atmosphere) generate upon H 2 O wetting the reactive oxygen species (ROS) superoxide radical (O 2 •- ), hydrogen peroxide (H 2 O 2 ), and hydroxyl radicals ( • OH). This study also validates that analogue radiolysis forms oxychlorine species that, in turn, can UV-photolyze to • OH upon UV photolysis. This investigation was made possible by the development of a new assay for inorganic-origin O 2 •- and H 2 O 2 determination and by the modification of a previous assay for soil • OH. Results show that radiolyzed Mg(ClO 4 ) 2 generates H 2 O 2 and • OH; and when included as part of a mixture analogous to the salt composition of samples analyzed at the Mars Phoenix site, the analogue generated O 2 •- , H 2 O 2 , and • OH, with • OH levels 150-fold higher than in the radiolyzed Mg(ClO 4 ) 2 samples. Radiolyzed Mars Phoenix site salt analogue that did not contain Mg(ClO 4 ) 2 generated only • OH also at 150-fold higher concentration than Mg(ClO 4 ) 2 alone. Additionally, UV photolysis of the perchlorate γ radiolysis product chlorite (ClO 2 - ) generated the oxychlorine products trihalide (Cl 3 - ), chlorine dioxide (ClO 2 • ), and hypochlorite (ClO - ), with the formation of • OH by UV photolysis of ClO - . While the generation of ROS may have contributed in part to 14 CO 2 production in the Viking Labeled Release (LR) experiment and O 2 (g) release in the Viking Gas Exchange (GEx) experiment, our results indicate that they are not likely to be the major contributor to the LR and GEx results. However, due to their highly reactive nature, they are expected to play a significant role in the alteration of organics on Mars. Additionally, experiments with hypochlorite show that the thermal stability of NaClO is in the range of the thermal stability observed for thermally liable oxidant responsible for the Viking LR results. Key Words: Mars

  16. Radiation-Driven Formation of Reactive Oxygen Species in Oxychlorine-Containing Mars Surface Analogues

    NASA Astrophysics Data System (ADS)

    Georgiou, Christos D.; Zisimopoulos, Dimitrios; Kalaitzopoulou, Electra; Quinn, Richard C.

    2017-04-01

    The present study demonstrates that γ-radiolyzed perchlorate-containing Mars soil salt analogues (in a CO2 atmosphere) generate upon H2O wetting the reactive oxygen species (ROS) superoxide radical (O2•-), hydrogen peroxide (H2O2), and hydroxyl radicals (•OH). This study also validates that analogue radiolysis forms oxychlorine species that, in turn, can UV-photolyze to •OH upon UV photolysis. This investigation was made possible by the development of a new assay for inorganic-origin O2•- and H2O2 determination and by the modification of a previous assay for soil •OH. Results show that radiolyzed Mg(ClO4)2 generates H2O2 and •OH; and when included as part of a mixture analogous to the salt composition of samples analyzed at the Mars Phoenix site, the analogue generated O2•-, H2O2, and •OH, with •OH levels 150-fold higher than in the radiolyzed Mg(ClO4)2 samples. Radiolyzed Mars Phoenix site salt analogue that did not contain Mg(ClO4)2 generated only •OH also at 150-fold higher concentration than Mg(ClO4)2 alone. Additionally, UV photolysis of the perchlorate γ radiolysis product chlorite (ClO2-) generated the oxychlorine products trihalide (Cl3-), chlorine dioxide (ClO2•), and hypochlorite (ClO-), with the formation of •OH by UV photolysis of ClO-. While the generation of ROS may have contributed in part to 14CO2 production in the Viking Labeled Release (LR) experiment and O2 (g) release in the Viking Gas Exchange (GEx) experiment, our results indicate that they are not likely to be the major contributor to the LR and GEx results. However, due to their highly reactive nature, they are expected to play a significant role in the alteration of organics on Mars. Additionally, experiments with hypochlorite show that the thermal stability of NaClO is in the range of the thermal stability observed for thermally liable oxidant responsible for the Viking LR results.

  17. Alternative aviation turbine fuels

    NASA Technical Reports Server (NTRS)

    Grobman, J.

    1977-01-01

    The efficient utilization of fossil fuels by future jet aircraft may necessitate the broadening of current aviation turbine fuel specifications. The most significant changes in specifications would be an increased aromatics content and a higher final boiling point in order to minimize refinery energy consumption and costs. These changes would increase the freezing point and might lower the thermal stability of the fuel and could cause increased pollutant emissions, increased smoke and carbon formation, increased combustor liner temperatures, and poorer ignition characteristics. This paper discusses the effects that broadened specification fuels may have on present-day jet aircraft and engine components and the technology required to use fuels with broadened specifications.

  18. Multi-Objective Online Initialization of Spacecraft Formations

    NASA Technical Reports Server (NTRS)

    Jeffrey, Matthew; Breger, Louis; How, Jonathan P.

    2007-01-01

    This paper extends a previously developed method for finding spacecraft initial conditions (ICs) that minimize the drift resulting from J2 disturbances while also minimizing the fuel required to attain those ICs. It generalizes the single spacecraft optimization to a formation-wide optimization valid for an arbitrary number of vehicles. Additionally, the desired locations of the spacecraft, separate from the starting location, can be specified, either with respect to a reference orbit, or relative to the other spacecraft in the formation. The three objectives (minimize drift, minimize fuel, and maintain a geometric template) are expressed as competing costs in a linear optimization, and are traded against one another through the use of scalar weights. By carefully selecting these weights and re-initializing the formation at regular intervals, a closed-loop, formation-wide control system is created. This control system can be used to reconfigure the formations on the fly, and creates fuel-efficient plans by placing the spacecraft in semi-invariant orbits. The overall approach is demonstrated through nonlinear simulations for two formations a GEO orbit, and an elliptical orbit.

  19. The Oxidation and Ignition of Jet Fuels

    DTIC Science & Technology

    2017-01-03

    approved for public release. A series of experimental studies designed to elucidate the oxidative reactivity and ignition properties of jet fuel and its...3 2. Experimental Method……………………………………………..………………….……..4 2.1. Shock tube…………………………………………………….…………………….4 2.2. Mid-infrared... experimental kinetics database for larger hydrocarbon components, real transportation fuels, model fuel mixtures, and important intermediate species

  20. Target-fueled nuclear reactor for medical isotope production

    DOE Office of Scientific and Technical Information (OSTI.GOV)

    Coats, Richard L.; Parma, Edward J.

    A small, low-enriched, passively safe, low-power nuclear reactor comprises a core of target and fuel pins that can be processed to produce the medical isotope .sup.99Mo and other fission product isotopes. The fuel for the reactor and the targets for the .sup.99Mo production are the same. The fuel can be low enriched uranium oxide, enriched to less than 20% .sup.235U. The reactor power level can be 1 to 2 MW. The reactor is passively safe and maintains negative reactivity coefficients. The total radionuclide inventory in the reactor core is minimized since the fuel/target pins are removed and processed after 7more » to 21 days.« less

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

    DOE Office of Scientific and Technical Information (OSTI.GOV)

    Fields, Nathan; Miller, Dennis J.; Asthana, Navinchandra S.

    2008-09-23

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

  2. Risk assessment of DNA-reactive carcinogens in food.

    PubMed

    Jeffrey, A M; Williams, G M

    2005-09-01

    Risk assessment of DNA-reactive carcinogens in food requires knowledge of the extent of DNA damage in the target organ which results from the competition between DNA adduct formation and repair. Estimates of DNA adduct levels can be made by direct measurement or indirectly as a consequence of their presence, for example, by tumor formation in animal models or exposed populations epidemiologically. Food-borne DNA-reactive carcinogens are present from a variety of sources. They are generally not intrinsically DNA-reactive but require bioactivation to DNA-reactive metabolites a process which may be modulated by the compound itself or the presence of other xenobiotics. A single DNA reactant may form several distinct DNA adducts each undergoing different rates of repair. Some DNA reactants may be photochemically activated or produce reactive oxygen species and thus indirect oxidative DNA damage. The levels of DNA adducts arising from exposures influenced by variations in the doses, the frequency with which an individual is exposed, and rates of DNA repair for specific adducts. Each adduct has a characteristic efficiency with which it induces mutations. Based on experience with the well-studied DNA-reactive food carcinogen aflatoxin B(1) (AFB(1)), a limit of 20 ppb or approximately 30 microg/day has been set and is considered a tolerable daily intake (TDI). Since AFB(1) is considered a potent carcinogen, doses of <1.5 microg of unknown compounds are considered TDIs. Most DNA-reactants, including acrylamide, heterocyclic amines, and alpha,beta-unsaturated carbonyl are below this value. Above that value, measurement of actual DNA adducts levels in either experimental animals with a risk assessment, or, when this occurs, exposed humans are needed. A number of approaches to undertake this are described including immunological, mass spectrometric and (32)P-postlabeling or the use of surrogates such as hemoglobin adducts, together with approaches to evaluate the results. A

  3. Risk assessment of DNA-reactive carcinogens in food

    DOE Office of Scientific and Technical Information (OSTI.GOV)

    Jeffrey, A.M.; Williams, G.M.

    2005-09-01

    Risk assessment of DNA-reactive carcinogens in food requires knowledge of the extent of DNA damage in the target organ which results from the competition between DNA adduct formation and repair. Estimates of DNA adduct levels can be made by direct measurement or indirectly as a consequence of their presence, for example, by tumor formation in animal models or exposed populations epidemiologically. Food-borne DNA-reactive carcinogens are present from a variety of sources. They are generally not intrinsically DNA-reactive but require bioactivation to DNA-reactive metabolites a process which may be modulated by the compound itself or the presence of other xenobiotics. Amore » single DNA reactant may form several distinct DNA adducts each undergoing different rates of repair. Some DNA reactants may be photochemically activated or produce reactive oxygen species and thus indirect oxidative DNA damage. The levels of DNA adducts arising from exposures influenced by variations in the doses, the frequency with which an individual is exposed, and rates of DNA repair for specific adducts. Each adduct has a characteristic efficiency with which it induces mutations. Based on experience with the well-studied DNA-reactive food carcinogen aflatoxin B{sub 1} (AFB{sub 1}), a limit of 20 ppb or {approx}30 {mu}g/day has been set and is considered a tolerable daily intake (TDI). Since AFB{sub 1} is considered a potent carcinogen, doses of <1.5 {mu}g of unknown compounds are considered TDIs. Most DNA-reactants, including acrylamide, heterocyclic amines, and {alpha},{beta}-unsaturated carbonyl are below this value. Above that value, measurement of actual DNA adducts levels in either experimental animals with a risk assessment, or, when this occurs, exposed humans are needed. A number of approaches to undertake this are described including immunological, mass spectrometric and {sup 32}P-postlabeling or the use of surrogates such as hemoglobin adducts, together with approaches to

  4. Effect of anode polarization on biofilm formation and electron transfer in Shewanella oneidensis/graphite felt microbial fuel cells.

    PubMed

    Pinto, David; Coradin, Thibaud; Laberty-Robert, Christel

    2018-04-01

    In microbial fuel cells, electricity generation is assumed by bacterial degradation of low-grade organics generating electrons that are transferred to an electrode. The nature and efficiency of the electron transfer from the bacteria to the electrodes are determined by several chemical, physical and biological parameters. Specifically, the application of a specific potential at the bioanode has been shown to stimulate the formation of an electro-active biofilm, but the underlying mechanisms remain poorly understood. In this study, we have investigated the effect of an applied potential on the formation and electroactivity of biofilms established by Shewanella oneidensis bacteria on graphite felt electrodes in single- and double-chamber reactor configurations in oxic conditions. Using amperometry, cyclic voltammetry, and OCP/Power/Polarization curves techniques, we showed that a potential ranging between -0.3V and +0.5V (vs. Ag/AgCl/KCl sat.) and its converse application to a couple of electrodes leads to different electrochemical behaviors, anodic currents and biofilm architectures. For example, when the bacteria were confined in the anodic compartment of a double-chamber cell, a negative applied potential (-0.3V) at the bioanode favors a mediated electron transfer correlated with the progressive formation of a biofilm that fills the felt porosity and bridges the graphite fibers. In contrast, a positive applied potential (+0.3V) at the bioanode stimulates a direct electron transfer resulting in the fast-bacterial colonization of the fibers only. These results provide significant insight for the understanding of the complex bacteria-electrode interactions in microbial fuel cells. Copyright © 2017 Elsevier B.V. All rights reserved.

  5. Investigating the role of gas bubble formation and entrapment in contaminated aquifers: Reactive transport modelling

    USGS Publications Warehouse

    Amos, Richard T.; Mayer, K. Ulrich

    2006-01-01

    In many natural and contaminated aquifers, geochemical processes result in the production or consumption of dissolved gases. In cases where methanogenesis or denitrification occurs, the production of gases may result in the formation and growth of gas bubbles below the water table. Near the water table, entrapment of atmospheric gases during water table rise may provide a significant source of O2 to waters otherwise depleted in O2. Furthermore, the presence of bubbles will affect the hydraulic conductivity of an aquifer, resulting in changes to the groundwater flow regime. The interactions between physical transport, biogeochemical processes, and gas bubble formation, entrapment and release is complex and requires suitable analysis tools. The objective of the present work is the development of a numerical model capable of quantitatively assessing these processes. The multicomponent reactive transport code MIN3P has been enhanced to simulate bubble growth and contraction due to in-situ gas production or consumption, bubble entrapment due to water table rise and subsequent re-equilibration of the bubble with ambient groundwater, and permeability changes due to trapped gas phase saturation. The resulting formulation allows for the investigation of complex geochemical systems where microbially mediated redox reactions both produce and consume gases as well as affect solution chemistry, alkalinity, and pH. The enhanced model has been used to simulate processes in a petroleum hydrocarbon contaminated aquifer where methanogenesis is an important redox process. The simulations are constrained by data from a crude oil spill site near Bemidji, MN. Our results suggest that permeability reduction in the methanogenic zone due to in-situ formation of gas bubbles, and dissolution of entrapped atmospheric bubbles near the water table, both work to attenuate the dissolved gas plume emanating from the source zone. Furthermore, the simulations demonstrate that under the given

  6. Investigating the role of gas bubble formation and entrapment in contaminated aquifers: Reactive transport modelling

    NASA Astrophysics Data System (ADS)

    Amos, Richard T.; Ulrich Mayer, K.

    2006-09-01

    In many natural and contaminated aquifers, geochemical processes result in the production or consumption of dissolved gases. In cases where methanogenesis or denitrification occurs, the production of gases may result in the formation and growth of gas bubbles below the water table. Near the water table, entrapment of atmospheric gases during water table rise may provide a significant source of O 2 to waters otherwise depleted in O 2. Furthermore, the presence of bubbles will affect the hydraulic conductivity of an aquifer, resulting in changes to the groundwater flow regime. The interactions between physical transport, biogeochemical processes, and gas bubble formation, entrapment and release is complex and requires suitable analysis tools. The objective of the present work is the development of a numerical model capable of quantitatively assessing these processes. The multicomponent reactive transport code MIN3P has been enhanced to simulate bubble growth and contraction due to in-situ gas production or consumption, bubble entrapment due to water table rise and subsequent re-equilibration of the bubble with ambient groundwater, and permeability changes due to trapped gas phase saturation. The resulting formulation allows for the investigation of complex geochemical systems where microbially mediated redox reactions both produce and consume gases as well as affect solution chemistry, alkalinity, and pH. The enhanced model has been used to simulate processes in a petroleum hydrocarbon contaminated aquifer where methanogenesis is an important redox process. The simulations are constrained by data from a crude oil spill site near Bemidji, MN. Our results suggest that permeability reduction in the methanogenic zone due to in-situ formation of gas bubbles, and dissolution of entrapped atmospheric bubbles near the water table, both work to attenuate the dissolved gas plume emanating from the source zone. Furthermore, the simulations demonstrate that under the given

  7. Study on Characteristic of Temperature Coefficient of Reactivity for Plutonium Core of Pebbled Bed Reactor

    NASA Astrophysics Data System (ADS)

    Zuhair; Suwoto; Setiadipura, T.; Bakhri, S.; Sunaryo, G. R.

    2018-02-01

    As a part of the solution searching for possibility to control the plutonium, a current effort is focused on mechanisms to maximize consumption of plutonium. Plutonium core solution is a unique case in the high temperature reactor which is intended to reduce the accumulation of plutonium. However, the safety performance of the plutonium core which tends to produce a positive temperature coefficient of reactivity should be examined. The pebble bed inherent safety features which are characterized by a negative temperature coefficient of reactivity must be maintained under any circumstances. The purpose of this study is to investigate the characteristic of temperature coefficient of reactivity for plutonium core of pebble bed reactor. A series of calculations with plutonium loading varied from 0.5 g to 1.5 g per fuel pebble were performed by the MCNPX code and ENDF/B-VII library. The calculation results show that the k eff curve of 0.5 g Pu/pebble declines sharply with the increase in fuel burnup while the greater Pu loading per pebble yields k eff curve declines slighter. The fuel with high Pu content per pebble may reach long burnup cycle. From the temperature coefficient point of view, it is concluded that the reactor containing 0.5 g-1.25 g Pu/pebble at high burnup has less favorable safety features if it is operated at high temperature. The use of fuel with Pu content of 1.5 g/pebble at high burnup should be considered carefully from core safety aspect because it could affect transient behavior into a fatal accident situation.

  8. Stability of gas atomized reactive powders through multiple step in-situ passivation

    DOEpatents

    Anderson, Iver E.; Steinmetz, Andrew D.; Byrd, David J.

    2017-05-16

    A method for gas atomization of oxygen-reactive reactive metals and alloys wherein the atomized particles are exposed as they solidify and cool in a very short time to multiple gaseous reactive agents for the in-situ formation of a protective reaction film on the atomized particles. The present invention is especially useful for making highly pyrophoric reactive metal or alloy atomized powders, such as atomized magnesium and magnesium alloy powders. The gaseous reactive species (agents) are introduced into the atomization spray chamber at locations downstream of a gas atomizing nozzle as determined by the desired powder or particle temperature for the reactions and the desired thickness of the reaction film.

  9. Thermal Stability of Distillate Hydrocarbon Fuels. Ph.D. Thesis

    NASA Technical Reports Server (NTRS)

    Reddy, Kishenkumar Tadisina; Cernansky, Nicholas P.

    1987-01-01

    Thermal stability of fuels is expected to become a severe problem in the future due to the anticipated use of broadened specification and alternative fuels. Future fuels will have higher contents of heteroatomic species which are reactive constituents and are known to influence fuel degradation. To study the degradation chemistry of selected model fuels, n-dodecane and n-dodecane plus heteroatoms were aerated by bubbling air through the fuels amd stressed on a modified Jet Fuel Thermal Oxidation Tester facility operating at heater tube temperatures between 200 to 400 C. The resulting samples were fractionated to concentrate the soluble products and then analyzed using gas chromatographic and mass spectrometric techniques to quantify and identify the stable reaction intermediate and product specifically. Heteroatom addition showed that the major soluble products were always the same, with and without heteroatoms, but their distributions varied considerably.

  10. Chemical reactivity parameters (HSAB) applied to magma evolution and ore formation

    NASA Astrophysics Data System (ADS)

    Vigneresse, Jean-Louis

    2012-11-01

    Magmas are commonly described through the usual content of 10 major oxides. This requires a complex dimensional plot. Concepts of hard-soft acid-base (HSAB) interactions allow estimating chemical reactivity of elements, such as electronegativity, i.e. the chemical potential changed of sign, hardness and electrophilicity. For complex system, those values result from equalization methods, i.e. the equalization of the respective chemical potentials, or from ab-initio computations through density functional theory (DFT). They help to characterize silicate magmas by a single value describing their reactivity. Principles of minimum electrophilicity (mEP), maximum hardness (MHP) and minimum polarizability (mPP) indicate trends towards regions of higher stability. Those parameters are plotted within a fitness landscape diagram, highlighting toward which principle reactions trend. Major oxides, main minerals and magmas determine the respective fields in which evolve natural rocks. Three poles are identified, represented by silica and alkalis, whereas oxidation forms the third trend. Mantle-derived rocks show a large variation in electrophilicity compared to hardness. They present all characters of a closed chemical system, being simply described by the free Gibbs energy. Conversely, rocks contaminated within the continental crust show a large variation in hardness between a silica pole and an alkaline, defining two separate trends. The trends show the character of an open chemical system, requiring a Grand Potential description (i.e. taking into account the difference in chemical potential). The terms open and closed systems refer to thermodynamical description, implying contamination for the crust and recycling for the mantle. The specific role of alkalis contrasts with other cations, pointing to their behavior in modifying silicate polymer structures. A second application deals with the reactivity of the melt and its fluid phase. It leads to a better understanding on the

  11. REACTIVITY MEASUREMENT FACILITY. CAMERA LOOKS DOWN INTO MTR CANAL. REACTOR ...

    Library of Congress Historic Buildings Survey, Historic Engineering Record, Historic Landscapes Survey

    REACTIVITY MEASUREMENT FACILITY. CAMERA LOOKS DOWN INTO MTR CANAL. REACTOR IS FUELED AS AN ETR MOCK-UP. LIGHTS DANGLE BELOW WATER LEVEL. CONTROL RODS AND OTHER APPARATUS DESCEND FROM ABOVE WATER LEVEL. INL NEGATIVE NO. 56-900. Jack L. Anderson, Photographer, 3/26/1956 - Idaho National Engineering Laboratory, Test Reactor Area, Materials & Engineering Test Reactors, Scoville, Butte County, ID

  12. Characteristics and combustion of future hydrocarbon fuels. [aircraft fuels

    NASA Technical Reports Server (NTRS)

    Rudey, R. A.; Grobman, J. S.

    1978-01-01

    As the world supply of petroleum crude oil is being depleted, the supply of high-quality crude oil is also dwindling. This dwindling supply is beginning to manifest itself in the form of crude oils containing higher percentages of aromatic compounds, sulphur, nitrogen, and trace constituents. The result of this trend is described and the change in important crude oil characteristics, as related to aircraft fuels, is discussed. As available petroleum is further depleted, the use of synthetic crude oils (those derived from coal and oil shale) may be required. The principal properties of these syncrudes and the fuels that can be derived from them are described. In addition to the changes in the supply of crude oil, increasing competition for middle-distillate fuels may require that specifications be broadened in future fuels. The impact that the resultant potential changes in fuel properties may have on combustion and thermal stability characteristics is illustrated and discussed in terms of ignition, soot formation, carbon deposition flame radiation, and emissions.

  13. MOLTEN PLUTONIUM FUELED FAST BREEDER REACTOR

    DOEpatents

    Kiehn, R.M.; King, L.D.P.; Peterson, R.E.; Swickard, E.O. Jr.

    1962-06-26

    A description is given of a nuclear fast reactor fueled with molten plutonium containing about 20 kg of plutonium in a tantalum container, cooled by circulating liquid sodium at about 600 to 650 deg C, having a large negative temperature coefficient of reactivity, and control rods and movable reflector for criticality control. (AEC)

  14. Ring-shaped stain patterns driven by solute reactive mesogens in liquid crystal solution

    NASA Astrophysics Data System (ADS)

    Cha, Tae Woon; Bulliard, Xavier; Choi, Sang Gun; Lee, Hyoung Sub; Kong, Hyang-Shik; Han, Sang Youn

    2014-07-01

    We report on the formation of ring-shaped stain patterns in a polymer-stabilized patterned vertical alignment mode liquid crystal display (LCD) during the cell filling process. Through the interpretation of the formation mechanism, an effective way to control its development is provided. Systematic trace of the reactive mesogens reveals that the formation of patterns is strongly related to the segregation of solute mesogens in the stain area. These undesirable patterns can be avoided or controlled by reducing the drop volume at each droplet using an inkjet printing technique, meaning that the printing technique could be a useful solution in display technology. For the formation of ring-shaped patterns, the dragging of reactive mesogens during the spreading of the liquid crystal solution plays a key role in the closed LCD cell.

  15. Soot Formation and Destruction in High-Pressure Flames with Real Fuels

    DTIC Science & Technology

    2013-08-18

    due to its higher mobility ) as the mixture exits the fuel tube leaving relatively high concentrations of ethylene in the lifted region, leading to...resulting in more soot production. This could potentially be explained by comparing the mobility of argon to nitrogen. Argon diffuses away from the...precursors formed due to a large concentration of fuel caused by the higher mobility of helium relative to fuel and thus an effective reduction in the

  16. Formation Processes and Impacts of Reactive and Nonreactive Minerals in Permeable Reactive Barriers

    EPA Science Inventory

    Mineral precipitates in zero-valent iron PRBs can be classified by formation processes into three groups: 1) those that result from changes in chemical conditions (i.e., changes in pH, e.g., calcite); 2) those that are a consequence of microbial activity (i.e., sulfate reduction,...

  17. Composition and Photochemical Reactivity of Turbine Engine Exhaust

    DTIC Science & Technology

    1984-09-01

    ESL-TR-84-28 Composition and Photochemical Reactivity of Turbine Engine Exhaust In IL) C.W. SPICER. M.W. HOLDREN, T.F. LYON. and R.M. RIGGIN...NUMBER 2. GOVT ACCIESION NO RECIPIENT’S CATALOG NUMmE" 4. TITLE (aid Sub•ttlC) S. TYPE OF REPORT & PERIOD COvERE0 Composition and Photochemical...involved detailed exhaust organic composition studies with two -. full-scale turbine engines utilizing three fuels. Tiask 4 investigated the

  18. High energy-density liquid rocket fuel performance

    NASA Technical Reports Server (NTRS)

    Rapp, Douglas C.

    1990-01-01

    A fuel performance database of liquid hydrocarbons and aluminum-hydrocarbon fuels was compiled using engine parametrics from the Space Transportation Engine Program as a baseline. Propellant performance parameters are introduced. General hydrocarbon fuel performance trends are discussed with respect to hydrogen-to-carbon ratio and heat of formation. Aluminum-hydrocarbon fuel performance is discussed with respect to aluminum metal loading. Hydrocarbon and aluminum-hydrocarbon fuel performance is presented with respect to fuel density, specific impulse, and propellant density specific impulse.

  19. Extended Burnup Credit for BWR Spent Nuclear Fuel in Storage and Transportation Systems

    DOE Office of Scientific and Technical Information (OSTI.GOV)

    Ade, Brian J; Bowman, Stephen M; Gauld, Ian C

    2015-01-01

    [Full Text] Oak Ridge National Laboratory and the United States Nuclear Regulatory Commission have initiated a multiyear project to investigate the application of burnup credit (BUC) for boiling-water reactor (BWR) fuel in storage and transportation casks. This project includes two phases. The first phase investigates the applicability of peak reactivity methods currently used for spent fuel pools to spent fuel storage and transportation casks and the validation of reactivity (k eff) calculations and depleted fuel compositions. The second phase focuses on extending BUC beyond peak reactivity. This paper documents work performed to date, investigating some aspects of extended BUC, andmore » it also describes the plan to complete the evaluations. The technical basis for application of peak reactivity methods to BWR fuel in storage and transportation systems is presented in a companion paper. Two reactor operating parameters are being evaluated to establish an adequate basis for extended BWR BUC, including investigation of the axial void profile effect and the effect of control blade utilization during operation. A detailed analysis of core simulator data for one cycle of an operating BWR plant was performed to determine the range of void profiles and the variability of the profile experienced during irradiation. While a single cycle does not provide complete data, the data obtained are sufficient to use to determine the primary effects and identify conservative modeling approaches. Using data resulting from a single cycle, the axial void profile is studied by first determining the temporal fidelity necessary in depletion modeling, and then using multiple void profiles to examine the effect of the void profile on cask reactivity. The results of these studies are being used to develop recommendations for conservatively modeling the void profile effects for BWR depletion calculations. The second operational parameter studied is control blade exposure. Control blades

  20. Dianionic Carbon-Bridged Scandium-Copper/Silver Heterobimetallic Complexes: Synthesis, Bonding, and Reactivity.

    PubMed

    Wang, Chen; Xiang, Li; Yang, Yan; Fang, Jian; Maron, Laurent; Leng, Xuebing; Chen, Yaofeng

    2018-04-11

    Alkylidene-bridged scandium-copper/silver heterobimetallic complexes were synthesized and structurally characterized. The complexes contain different Sc-C and M-C (M=Cu I , Ag I ) bonds. The reactivity of the scandium-copper heterobimetallic complex was also studied, which reveals that the heterobimetallic complex is a reaction intermediate for the transmetalation of akylidene group from Sc III to Cu I . The scandium-copper heterobimetallic complex also undergoes an addition reaction with CO, resulting in the formation of a new C=C double bond. DFT calculations were used to study the bonding and the subsequent reactivity with CO of the scandium-copper heterobimetallic complex. It clearly demonstrates a cooperative effect between the two metal centers through the formation of a direct Sc⋅⋅⋅Cu interaction that drives the reactivity with CO. © 2018 Wiley-VCH Verlag GmbH & Co. KGaA, Weinheim.

  1. KIVA-hpFE. Predictive turbulent reactive and multiphase flow in engines - An Overview

    DOE Office of Scientific and Technical Information (OSTI.GOV)

    Carrington, David Bradley

    2016-05-23

    Research and development of KIVA-hpFE for turbulent reactive and multiphase flow particularly as related to engine modeling program has relevance to National energy security and climate change. Climate change is a source problem, and energy national security is consumption of petroleum products problem. Accurately predicting engine processes leads to, lower greenhouse gas (GHG) emission, where engines in the transportation sector currently account for 26% of the U.S. GHG emissions. Less dependence on petroleum products leads to greater energy security. By Environmental Protection Agency standards, some vehicles are now reaching 42 to the 50 mpg mark. These are conventional gasoline engines.more » Continued investment and research into new technical innovations, the potential exists to save more than 4 million barrels of oil per day or approximately $200 to $400 million per day. This would be a significant decrease in emission and use of petroleum and a very large economic stimulus too! It is estimated with further advancements in combustion, the current emissions can be reduced up to 40%. Enabling better understanding of fuel injection and fuel-air mixing, thermodynamic combustion losses, and combustion/emission formation processes enhances our ability to help solve both problems. To provide adequate capability for accurately simulating these processes, minimize time and labor for development of engine technology, are the goals of our KIVA development program.« less

  2. Impact of future fuel properties on aircraft engines and fuel systems

    NASA Technical Reports Server (NTRS)

    Rudey, R. A.; Grobman, J. S.

    1978-01-01

    From current projections of the availability of high-quality petroleum crude oils, it is becoming increasingly apparent that the specifications for hydrocarbon jet fuels may have to be modified. The problems that are most likely to be encountered as a result of these modifications relate to engine performance, component durability and maintenance, and aircraft fuel-system performance. The effect on engine performance will be associated with changes in specific fuel consumption, ignition at relight limits, at exhaust emissions. Durability and maintenance will be affected by increases in combustor liner temperatures, carbon deposition, gum formation in fuel nozzles, and erosion and corrosion of turbine blades and vanes. Aircraft fuel-system performance will be affected by increased deposits in fuel-system heat exchangers and changes in the pumpability and flowability of the fuel. The severity of the potential problems is described in terms of the fuel characteristics most likely to change in the future. Recent data that evaluate the ability of current-technology aircraft to accept fuel specification changes are presented, and selected technological advances that can reduce the severity of the problems are described and discussed.

  3. Equilibrium, kinetic, and reactive transport models for plutonium

    NASA Astrophysics Data System (ADS)

    Schwantes, Jon Michael

    Equilibrium, kinetic, and reactive transport models for plutonium (Pu) have been developed to help meet environmental concerns posed by past war-related and present and future peacetime nuclear technologies. A thorough review of the literature identified several hurdles that needed to be overcome in order to develop capable predictive tools for Pu. These hurdles include: (1) missing or ill-defined chemical equilibrium and kinetic constants for environmentally important Pu species; (2) no adequate conceptual model describing the formation of Pu oxy/hydroxide colloids and solids; and (3) an inability of two-phase reactive transport models to adequately simulate Pu behavior in the presence of colloids. A computer program called INVRS K was developed that integrates the geochemical modeling software of PHREEQC with a nonlinear regression routine. This program provides a tool for estimating equilibrium and kinetic constants from experimental data. INVRS K was used to regress on binding constants for Pu sorbing onto various mineral and humic surfaces. These constants enhance the thermodynamic database for Pu and improve the capability of current predictive tools. Time and temperature studies of the Pu intrinsic colloid were also conducted and results of these studies were presented here. Formation constants for the fresh and aged Pu intrinsic colloid were regressed upon using INVRS K. From these results, it was possible to develop a cohesive diagenetic model that describes the formation of Pu oxy/hydroxide colloids and solids. This model provides for the first time a means of deciphering historically unexplained observations with respect to the Pu intrinsic colloid, as well as a basis for simulating the behavior within systems containing these solids. Discussion of the development and application of reactive transport models is also presented and includes: (1) the general application of a 1-D in flow, three-phase (i.e., dissolved, solid, and colloidal), reactive

  4. Iron Hydroxy Carbonate Formation in Zerovalent Iron Permeable Reactive Barriers: Characterization and Evaluation of Phase Stability

    EPA Science Inventory

    Predicting the long-term potential of permeable reactive barriers for treating contaminated groundwater relies on understanding the endpoints of biogeochemical reactions between influent groundwater and the reactive medium. Iron hydroxy carbonate (chukanovite) is frequently obs...

  5. Reactive nitrogen and the world: 200 years of change.

    PubMed

    Galloway, James N; Cowling, Ellis B

    2002-03-01

    This paper examines the impact of food and energy production on the global N cycle by contrasting N flows in the late-19th century with those of the late-20th century. We have a good understanding of the amounts of reactive N created by humans, and the primary points of loss to the environment. However, we have a poor understanding of nitrogen's rate of accumulation in environmental reservoirs, which is problematic because of the cascading effects of accumulated N in the environment. The substantial regional variability in reactive nitrogen creation, its degree of distribution, and the likelihood of increased rates of reactive-N formation (especially in Asia) in the future creates a situation that calls for the development of a Total Reactive Nitrogen Approach that will optimize food and energy production and protect environmental systems.

  6. Testing of an Integrated Reactor Core Simulator and Power Conversion System with Simulated Reactivity Feedback

    NASA Technical Reports Server (NTRS)

    Bragg-Sitton, Shannon M.; Hervol, David S.; Godfroy, Thomas J.

    2009-01-01

    A Direct Drive Gas-Cooled (DDG) reactor core simulator has been coupled to a Brayton Power Conversion Unit (BPCU) for integrated system testing at NASA Glenn Research Center (GRC) in Cleveland, OH. This is a closed-cycle system that incorporates an electrically heated reactor core module, turbo alternator, recuperator, and gas cooler. Nuclear fuel elements in the gas-cooled reactor design are replaced with electric resistance heaters to simulate the heat from nuclear fuel in the corresponding fast spectrum nuclear reactor. The thermodynamic transient behavior of the integrated system was the focus of this test series. In order to better mimic the integrated response of the nuclear-fueled system, a simulated reactivity feedback control loop was implemented. Core power was controlled by a point kinetics model in which the reactivity feedback was based on core temperature measurements; the neutron generation time and the temperature feedback coefficient are provided as model inputs. These dynamic system response tests demonstrate the overall capability of a non-nuclear test facility in assessing system integration issues and characterizing integrated system response times and response characteristics.

  7. Testing of an Integrated Reactor Core Simulator and Power Conversion System with Simulated Reactivity Feedback

    NASA Technical Reports Server (NTRS)

    Bragg-Sitton, Shannon M.; Hervol, David S.; Godfroy, Thomas J.

    2010-01-01

    A Direct Drive Gas-Cooled (DDG) reactor core simulator has been coupled to a Brayton Power Conversion Unit (BPCU) for integrated system testing at NASA Glenn Research Center (GRC) in Cleveland, Ohio. This is a closed-cycle system that incorporates an electrically heated reactor core module, turboalternator, recuperator, and gas cooler. Nuclear fuel elements in the gas-cooled reactor design are replaced with electric resistance heaters to simulate the heat from nuclear fuel in the corresponding fast spectrum nuclear reactor. The thermodynamic transient behavior of the integrated system was the focus of this test series. In order to better mimic the integrated response of the nuclear-fueled system, a simulated reactivity feedback control loop was implemented. Core power was controlled by a point kinetics model in which the reactivity feedback was based on core temperature measurements; the neutron generation time and the temperature feedback coefficient are provided as model inputs. These dynamic system response tests demonstrate the overall capability of a non-nuclear test facility in assessing system integration issues and characterizing integrated system response times and response characteristics.

  8. Mechanism and kinetics of the electrocatalytic reaction responsible for the high cost of hydrogen fuel cells.

    PubMed

    Cheng, Tao; Goddard, William A; An, Qi; Xiao, Hai; Merinov, Boris; Morozov, Sergey

    2017-01-25

    The sluggish oxygen reduction reaction (ORR) is a major impediment to the economic use of hydrogen fuel cells in transportation. In this work, we report the full ORR reaction mechanism for Pt(111) based on Quantum Mechanics (QM) based Reactive metadynamics (RμD) simulations including explicit water to obtain free energy reaction barriers at 298 K. The lowest energy pathway for 4 e - water formation is: first, *OOH formation; second, *OOH reduction to H 2 O and O*; third, O* hydrolysis using surface water to produce two *OH and finally *OH hydration to water. Water formation is the rate-determining step (RDS) for potentials above 0.87 Volt, the normal operating range. Considering the Eley-Rideal (ER) mechanism involving protons from the solvent, we predict the free energy reaction barrier at 298 K for water formation to be 0.25 eV for an external potential below U = 0.87 V and 0.41 eV at U = 1.23 V, in good agreement with experimental values of 0.22 eV and 0.44 eV, respectively. With the mechanism now fully understood, we can use this now validated methodology to examine the changes upon alloying and surface modifications to increase the rate by reducing the barrier for water formation.

  9. Original Experimental Approach for Assessing Transport Fuel Stability.

    PubMed

    Bacha, Kenza; Ben Amara, Arij; Alves Fortunato, Maira; Wund, Perrine; Veyrat, Benjamin; Hayrault, Pascal; Vannier, Axel; Nardin, Michel; Starck, Laurie

    2016-10-21

    The study of fuel oxidation stability is an important issue for the development of future fuels. Diesel and kerosene fuel systems have undergone several technological changes to fulfill environmental and economic requirements. These developments have resulted in increasingly severe operating conditions whose suitability for conventional and alternative fuels needs to be addressed. For example, fatty acid methyl esters (FAMEs) introduced as biodiesel are more prone to oxidation and may lead to deposit formation. Although several methods exist to evaluate fuel stability (induction period, peroxides, acids, and insolubles), no technique allows one to monitor the real-time oxidation mechanism and to measure the formation of oxidation intermediates that may lead to deposit formation. In this article, we developed an advanced oxidation procedure (AOP) based on two existing reactors. This procedure allows the simulation of different oxidation conditions and the monitoring of the oxidation progress by the means of macroscopic parameters, such as total acid number (TAN) and advanced analytical methods like gas chromatography coupled to mass spectrometry (GC-MS) and Fourier Transform Infrared - Attenuated Total Reflection (FTIR-ATR). We successfully applied AOP to gain an in-depth understanding of the oxidation kinetics of a model molecule (methyl oleate) and commercial diesel and biodiesel fuels. These developments represent a key strategy for fuel quality monitoring during logistics and on-board utilization.

  10. Effect of increased fuel temperature on emissions of oxides of nitrogen from a gas turbine combustor burning ASTM jet-A fuel

    NASA Technical Reports Server (NTRS)

    Marchionna, N. R.

    1974-01-01

    An annular gas turbine combustor was tested with heated ASTM Jet-A fuel to determine the effect of increased fuel temperature on the formation of oxides of nitrogen. Fuel temperature ranged from ambient to 700 K. The NOx emission index increased at a rate of 6 percent per 100 K increase in fuel temperature.

  11. Measuring and monitoring KIPT Neutron Source Facility Reactivity

    DOE Office of Scientific and Technical Information (OSTI.GOV)

    Cao, Yan; Gohar, Yousry; Zhong, Zhaopeng

    2015-08-01

    Argonne National Laboratory (ANL) of USA and Kharkov Institute of Physics and Technology (KIPT) of Ukraine have been collaborating on developing and constructing a neutron source facility at Kharkov, Ukraine. The facility consists of an accelerator-driven subcritical system. The accelerator has a 100 kW electron beam using 100 MeV electrons. The subcritical assembly has k eff less than 0.98. To ensure the safe operation of this neutron source facility, the reactivity of the subcritical core has to be accurately determined and continuously monitored. A technique which combines the area-ratio method and the flux-to-current ratio method is purposed to determine themore » reactivity of the KIPT subcritical assembly at various conditions. In particular, the area-ratio method can determine the absolute reactivity of the subcritical assembly in units of dollars by performing pulsed-neutron experiments. It provides reference reactivities for the flux-to-current ratio method to track and monitor the reactivity deviations from the reference state while the facility is at other operation modes. Monte Carlo simulations are performed to simulate both methods using the numerical model of the KIPT subcritical assembly. It is found that the reactivities obtained from both the area-ratio method and the flux-to-current ratio method are spatially dependent on the neutron detector locations and types. Numerical simulations also suggest optimal neutron detector locations to minimize the spatial effects in the flux-to-current ratio method. The spatial correction factors are calculated using Monte Carlo methods for both measuring methods at the selected neutron detector locations. Monte Carlo simulations are also performed to verify the accuracy of the flux-to-current ratio method in monitoring the reactivity swing during a fuel burnup cycle.« less

  12. Effects of Fuel Preheat on Soot Formation in Microgravity Laminar Diffusion Flames

    NASA Technical Reports Server (NTRS)

    Konsur, Bogdan; Megaridis, Constantine M.; Griffin, DeVon W.

    1997-01-01

    measured at 0-g was nearly a factor of two higher than that at 1-g, thus confirming the enhanced sooting tendency of nonbuoyant flames. Greenberg and Ku presented a similar study and reported trends that matched those of for the 50% (vol.) nitrogen-diluted acetylene fuel. Furthermore, they examined pure acetylene flames and reported similar trends with respect to the influence of gravity on maximum soot volume fractions and flame cross-section-averaged soot loadings. Both studies clearly demonstrated the improved spatial resolution of microgravity flames compared to their normal-gravity counterparts. The current study evaluates the influence of moderate fuel preheat on soot formation within 0-g laminar gas jet diffusion flames. While fuel temperature variations have little influence on residence times in 1-g, they have a much more significant effect in 0-g. The primary objective of this program is to quantify this effect and its consequences on sooting by comparing soot volume fraction distributions under preheated and unpreheated-fuel conditions. Furthermore, the current work aims at expanding the limited soot database available for nonbuoyant flames. Soot fields in such flames can be used to perform additional tests of recently developed soot sub-models which have the potential to become powerful predicting tools in combustion design.

  13. Investigation of spray dispersion and particulate formation in diesel fuel flames

    NASA Technical Reports Server (NTRS)

    Back, L. H.; Bankston, C. P.; Kwack, E. Y.; Bellan, J.; Harstad, K.

    1988-01-01

    An experimental study of electrostatical atomized and dispersed diesel fuel jets was conducted at various back pressures to 40 atm. A new electrostatic injection technique was utilized to generate continuous, stable fuel sprays at charge densities of 1.5 to 2.0 C/m3 of fluid at one atm, and about 1.0 C/m3 at 40 atm. Flowrates were varied from 0.5 to 2.5 ml/s and electric potentials to -18 kV. Visual observations showed that significant enhanced dispersion of charged fuel jets occurred at high back pressures compared to aerodynamic breakup and dispersion. The average drop size was about the same as the spray triode orifice diameter, and was between the Kelly theory and the Rayleigh limit. The ignition tests, done only at one atm, indicated stable combustion of the electrostatically dispersed fuel jets.

  14. Inhibitors of biofilm formation by fuel ethanol contaminants

    USDA-ARS?s Scientific Manuscript database

    Industrial fuel ethanol production suffers from chronic and acute infections that reduce yields and cause “stuck fermentations” that result in costly shutdowns. Lactic acid bacteria, particularly Lactobacillus sp., are recognized as major contaminants. In previous studies, we observed that certain...

  15. Phase behavior and reactive transport of partial melt in heterogeneous mantle model

    NASA Astrophysics Data System (ADS)

    Jordan, J.; Hesse, M. A.

    2013-12-01

    The reactive transport of partial melt is the key process that leads to the chemical and physical differentiation of terrestrial planets and smaller celestial bodies. The essential role of the lithological heterogeneities during partial melting of the mantle is increasingly recognized. How far can enriched melts propagate while interacting with the ambient mantle? Can the melt flow emanating from a fertile heterogeneity be localized through a reactive infiltration feedback in a model without exogenous factors or contrived initial conditions? A full understanding of the role of heterogeneities requires reactive melt transport models that account for the phase behavior of major elements. Previous work on reactive transport in the mantle focuses on trace element partitioning; we present the first nonlinear chromatographic analysis of reactive melt transport in systems with binary solid solution. Our analysis shows that reactive melt transport in systems with binary solid solution leads to the formation of two separate reaction fronts: a slow melting/freezing front along which enthalpy change is dominant and a fast dissolution/precipitation front along which compositional changes are dominated by an ion-exchange process over enthalpy change. An intermediate state forms between these two fronts with a bulk-rock composition and enthalpy that are not necessarily bounded by the bulk-rock composition and enthalpy of either the enriched heterogeneity or the depleted ambient mantle. The formation of this intermediate state makes it difficult to anticipate the porosity changes and hence the stability of reaction fronts. Therefore, we develop a graphical representation for the solution that allows identification of the intermediate state by inspection, for all possible bulk-rock compositions and enthalpies of the heterogeneity and the ambient mantle. We apply the analysis to the partial melting of an enriched heterogeneity. This leads to the formation of moving precipitation

  16. Evaluation of used fuel disposition in clay-bearing rock

    DOE Office of Scientific and Technical Information (OSTI.GOV)

    Jove-Colon, Carlos F.; Hammond, Glenn Edward; Kuhlman, Kristopher L.

    The R&D program from the DOE Used Fuel Disposition Campaign (UFDC) has documented key advances in coupled Thermal-Hydrological-Mechanical-Chemical (THMC) modeling of clay to simulate its complex dynamic behavior in response to thermal and hydrochemical feedbacks. These efforts have been harnessed to assess the isolation performance of heat-generating nuclear waste in a deep geological repository in clay/shale/argillaceous rock formations. This report describes the ongoing disposal R&D efforts on the advancement and refinement of coupled THMC process models, hydrothermal experiments on barrier clay interactions, used fuel and canister material degradation, thermodynamic database development, and reactive transport modeling of the near-field under non-isothermalmore » conditions. These play an important role to the evaluation of sacrificial zones as part of the EBS exposure to thermally-driven chemical and transport processes. Thermal inducement of chemical interactions at EBS domains enhances mineral dissolution/precipitation but also generates mineralogical changes that result in mineral H2O uptake/removal (hydration/dehydration reactions). These processes can result in volume changes that can affect the interface / bulk phase porosities and the mechanical (stress) state of the bentonite barrier. Characterization studies on bentonite barrier samples from the FEBEX-DP international activity have provided important insight on clay barrier microstructures (e.g., microcracks) and interactions at EBS interfaces. Enhancements to the used fuel degradation model outlines the need to include the effects of canister corrosion due the strong influence of H2 generation on the source term.« less

  17. A high converter concept for fuel management with blanket fuel assemblies in boiling water reactors

    DOE Office of Scientific and Technical Information (OSTI.GOV)

    Martinez-Frances, N.; Timm, W.; Rossbach, D.

    2012-07-01

    Studies on the natural Uranium saving and waste reduction potential of a multiple-plant BWR system were performed. The BWR High Converter system should enable a multiple recycling of MOX fuel in current BWR plants by introducing blanket fuel assemblies and burning Uranium and MOX fuel separately. The feasibility of Uranium cores with blankets and full-MOX cores with Plutonium qualities as low as 40% were studied. The power concentration due to blanket insertion is manageable with modern fuel and acceptable values for the thermal limits and reactivity coefficients were obtained. While challenges remain, full-MOX cores also complied with the main designmore » criteria. The combination of Uranium and Plutonium burners in appropriate proportions could enable obtaining as much as 40% more energy out of Uranium ore. Moreover, a proper adjustment of blanket average stay and Plutonium qualities could lead to a system with nearly no Plutonium left for final disposal. The achievement of such goals with current light water technology makes the BWR HC concept an attractive option to improve the fuel cycle until Gen-IV designs are mature. (authors)« less

  18. BISON Modeling of Reactivity-Initiated Accident Experiments in a Static Environment

    DOE Office of Scientific and Technical Information (OSTI.GOV)

    Folsom, Charles P.; Jensen, Colby B.; Williamson, Richard L.

    2016-09-01

    In conjunction with the restart of the TREAT reactor and the design of test vehicles, modeling and simulation efforts are being used to model the response of Accident Tolerant Fuel (ATF) concepts under reactivity insertion accident (RIA) conditions. The purpose of this work is to model a baseline case of a 10 cm long UO2-Zircaloy fuel rodlet using BISON and RELAP5 over a range of energy depositions and with varying reactor power pulse widths. The results show the effect of varying the pulse width and energy deposition on both thermal and mechanical parameters that are important for predicting failure ofmore » the fuel rodlet. The combined BISON/RELAP5 model captures coupled thermal and mechanical effects on the fuel-to-cladding gap conductance, cladding-to-coolant heat transfer coefficient and water temperature and pressure that would not be capable in each code individually. These combined effects allow for a more accurate modeling of the thermal and mechanical response in the fuel rodlet and thermal-hydraulics of the test vehicle.« less

  19. Thorium Fuel Utilization Analysis on Small Long Life Reactor for Different Coolant Types

    NASA Astrophysics Data System (ADS)

    Permana, Sidik

    2017-07-01

    A small power reactor and long operation which can be deployed for less population and remote area has been proposed by the IAEA as a small and medium reactor (SMR) program. Beside uranium utilization, it can be used also thorium fuel resources for SMR as a part of optimalization of nuclear fuel as a “partner” fuel with uranium fuel. A small long-life reactor based on thorium fuel cycle for several reactor coolant types and several power output has been evaluated in the present study for 10 years period of reactor operation. Several key parameters are used to evaluate its effect to the reactor performances such as reactor criticality, excess reactivity, reactor burnup achievement and power density profile. Water-cooled types give higher criticality than liquid metal coolants. Liquid metal coolant for fast reactor system gives less criticality especially at beginning of cycle (BOC), which shows liquid metal coolant system obtains almost stable criticality condition. Liquid metal coolants are relatively less excess reactivity to maintain longer reactor operation than water coolants. In addition, liquid metal coolant gives higher achievable burnup than water coolant types as well as higher power density for liquid metal coolants.

  20. Anode reactive bleed and injector shift control strategy

    DOEpatents

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

    2012-01-03

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

  1. Mapping the Reactivity and Selectivity of 2-Azidofucosyl Donors for the Assembly of N-Acetylfucosamine-Containing Bacterial Oligosaccharides.

    PubMed

    Hagen, Bas; Ali, Sara; Overkleeft, Herman S; van der Marel, Gijsbert A; Codée, Jeroen D C

    2017-01-20

    The synthesis of complex oligosaccharides is often hindered by a lack of knowledge on the reactivity and selectivity of their constituent building blocks. We investigated the reactivity and selectivity of 2-azidofucosyl (FucN 3 ) donors, valuable synthons in the synthesis of 2-acetamido-2-deoxyfucose (FucNAc) containing oligosaccharides. Six FucN 3 donors, bearing benzyl, benzoyl, or tert-butyldimethylsilyl protecting groups at the C3-O and C4-O positions, were synthesized, and their reactivity was assessed in a series of glycosylations using acceptors of varying nucleophilicity and size. It was found that more reactive nucleophiles and electron-withdrawing benzoyl groups on the donor favor the formation of β-glycosides, while poorly reactive nucleophiles and electron-donating protecting groups on the donor favor α-glycosidic bond formation. Low-temperature NMR activation studies of Bn- and Bz-protected donors revealed the formation of covalent FucN 3 triflates and oxosulfonium triflates. From these results, a mechanistic explanation is offered in which more reactive acceptors preferentially react via an S N 2-like pathway, while less reactive acceptors react via an S N 1-like pathway. The knowledge obtained in this reactivity study was then applied in the construction of α-FucN 3 linkages relevant to bacterial saccharides. Finally, a modular synthesis of the Staphylococcus aureus type 5 capsular polysaccharide repeating unit, a trisaccharide consisting of two FucNAc units, is described.

  2. Oxidation and gum formation in diesel fuels. Interim report No. 2, 10 September 1984-30 April 1985

    DOE Office of Scientific and Technical Information (OSTI.GOV)

    Mayo, F.R.

    1985-05-03

    Rates of oxygen absorption (R sub O) and gum formation (R sub g) are now related by the R sub g/ R/sub 0/ ratio, the reciprocal of the ratio previously used. The change was made because when the oxygen content of the gum is known, the R sub g/ R/sub 0/ ratio is proportional to the fraction of oxygen absorbed that appears in the gum. Oxidations of tetralin (TET) and 2-ethyl-naphthalene (EtN) at 130 C are initially fast but the rates decrease regularly. The oxidation of n-dodecane (DOD) is clearly autocatalytic; it requires the most oxygen to produce a milligrammore » of gum while EtN, among the pure hydrocarbons, requires the least. Rates of oxygen absorption for DOD at 100 C appear to be erratic. Part of the problem is autocatalysis; part is near exhaustion of oxygen. The best results are those for K92A and K92C. R/sub 0/ without t-Bu2O2 is autocatalytic. Trends in oxidations of Fuels 14 and 14A, which are different at 130 C, are not yet clear at 100, and 60 C. The important points in the above discussion are: The oxidation of DOD is autocatalytic; oxidations of TET, EtN, and Fuel 14 are self-retarding. In our oxidations of Fuel 14 with shaking, all the deposits at 100 and 130 C appear as films on glass; no deposits have yet been obtained at lower temperatures. The ratio R sub g/ R/sub 0/, still appears to be essentially constant for any fuel at a single temperature, even with large differences in R/sub 0/ from addition of t-Bu202. Thus, gum can be accumulated relatively rapidly for experimental purposes. We are accumulating new data at 43 and 60 C. These findings should assist materially in our efforts to understand and devise a test for fuel stability.« less

  3. Ash particulate formation from pulverized coal under oxy-fuel combustion conditions.

    PubMed

    Jia, Yunlu; Lighty, JoAnn S

    2012-05-01

    Aerosol particulates are generated by coal combustion. The amount and properties of aerosol particulates, specifically size distribution and composition, can be affected by combustion conditions. Understanding the formation of these particles is important for predicting emissions and understanding potential deposition. Oxy-fuel combustion conditions utilize an oxygen-enriched gas environment with CO(2). The high concentration of CO(2) is a result of recycle flue gas which is used to maintain temperature. A hypothesis is that high CO(2) concentration reduces the vaporization of refractory oxides from combustion. A high-temperature drop-tube furnace was used under different oxygen concentrations and CO(2) versus N(2) to study the effects of furnace temperature, coal type, and gas phase conditions on particulate formation. A scanning mobility particle sizer (SMPS) and aerodynamic particle sizer (APS) were utilized for particle size distributions ranging from 14.3 nm to 20 μm. In addition, particles were collected on a Berner low pressure impactor (BLPI) for elemental analysis using scanning electron microscopy and energy dispersive spectroscopy. Three particle size modes were seen: ultrafine (below 0.1 μm), fine (0.1 to 1.0 μm), and coarse (above 1 μm). Ultrafine mass concentrations were directly related to estimated particle temperature, increasing with increasing temperature. For high silicon and calcium coals, Utah Skyline and PRB, there was a secondary effect due to CO(2) and the hypothesized reaction. Illinois #6, a high sulfur coal, had the highest amount of ultrafine mass and most of the sulfur was concentrated in the ultrafine and fine modes. Fine and coarse mode mass concentrations did not show a temperature or CO(2) relationship. (The table of contents graphic and abstract graphic are adapted from ref 27.). © 2012 American Chemical Society

  4. Characterization of solid fuels at pressurized fluidized bed gasification conditions

    DOE Office of Scientific and Technical Information (OSTI.GOV)

    Zevenhoven, R.; Hupa, M.

    1998-07-01

    The gasification of co-gasification of solid fuel (coal, peat, wood) in air-blown fluidized bed gasifiers is receiving continued attention as an alternative to entrained flow gasifiers which in general are oxygen-blown. Fluidized bed gasification of wood and wood-waste at elevated pressures, and the so-called air-blown gasification cycle are examples of processes which are under development in Europe. based on complete or partial gasification of a solid fuel in a pressurized fluidized bed. At the same time, fuel characterization data for the combination of temperature, pressure and fuel particle heating rate that is encountered in fluidized bed gasification are very scarce.more » In this paper, quantitative data on the characterization of fuels for advanced combustion and gasification technologies based on fluidized beds are given, as a result from the authors participation in the JOULE 2 extension project on clean coal technology of the European community. Eleven solid fuels, ranging from coal via peat to wood, have been studied under typical fluidized bed gasification conditions: 800--1,000 C, 1--25 bar, fuel heating rate in the order of 100--1,000 C/s. Carbon dioxide was used as gasifying agent. A pressurized thermogravimetric reactor was used for the experiments. The results show that the solid residue yield after pyrolysis/devolatilization increases with pressure and decreases with temperature. For coal, the gasification reactivity of the char increases by a factor of 3 to 4 when pressurizing from 1 to 25 bar, for the younger fuels such as peat and wood, this effect is negligible. Several empirical engineering equations are given which relate the fuel performance to the process parameters and the proximate and chemical analyses of the fuel. A pressure maximum was found at which a maximum gasification reactivity occurs, for practically all fuels, and depending on temperature. It is shown that this can be explained and modeled using a Langmuir

  5. Characterisation of solid fuels at pressurised fluidised bed gasification conditions

    DOE Office of Scientific and Technical Information (OSTI.GOV)

    Zebenhoven, R.; Hupa, M.

    1998-04-01

    The gasification or co-gasification of solid fuels (coal, peat, wood) in air-blown fluidised bed gasifiers is receiving continued attention as an alternative to entrained flow gasifiers which in general are oxygen-blown. Fluidised bed gasification of wood and wood-waste at elevated pressures, and the so-called air-blown gasification cycle are examples of processes which are under development in Europe, based on complete or partial gasification of a solid fuel in a pressurised fluidised bed. At the same time, fuel characterisation data for the combination of temperature, pressure and fuel particle heating rate that is encountered in fluidised bed gasification are very scarce.more » Quantitative data on the characterisation of fuels for advanced combustion and gasification technologies based on fluidised beds are given, as a result from our participation to the JOULE 2 extension project on clean coal technology of the European Community. Eleven solid fuels, ranging from coal via peat to wood, have been studied under typical fluidised bed gasification conditions: 800-1000{degrees}C, 1-25 bar, fuel heating rate in the order of 100-1000{degrees}C/s. Carbon dioxide was used as gasifying agent. A pressurised thermogravimetric reactor was used for the experiments. The results show that the solid residue yield after pyrolysis/devolatilisation. increases with pressure and decreases with temperature. For coal, the gasification reactivity of the char increases by a factor of 3 to 4 when pressurising from 1 to 25 bar, for the `younger` fuels such as peat and wood, this effect is negligible. Several empirical, `engineering` equations are given which relate the fuel performance to the process parameters and the proximate and chemical analyses of the fuel. A pressure maximum was found at which a maximum gasification reactivity occurs, for practically all fuels, and depending on temperature. It is shown that this can be explained and modelled using a Langmuir-Hinshelwood model.« less

  6. Thermal Stability of Jet Fuels: Kinetics of Forming Deposit Precursors

    NASA Technical Reports Server (NTRS)

    Naegeli, David W.

    1997-01-01

    The focus of this study was on the autoxidation kinetics of deposit precursor formation in jet fuels. The objectives were: (1) to demonstrate that laser-induced fluorescence is a viable kinetic tool for measuring rates of deposit precursor formation in jet fuels; (2) to determine global rate expressions for the formation of thermal deposit precursors in jet fuels; and (3) to better understand the chemical mechanism of thermal stability. The fuels were isothermally stressed in small glass ampules in the 120 to 180 C range. Concentrations of deposit precursor, hydroperoxide and oxygen consumption were measured over time in the thermally stressed fuels. Deposit precursors were measured using laser-induced fluorescence (LIF), hydroperoxides using a spectrophotometric technique, and oxygen consumption by the pressure loss in the ampule. The expressions, I.P. = 1.278 x 10(exp -11)exp(28,517.9/RT) and R(sub dp) = 2.382 x 10(exp 17)exp(-34,369.2/RT) for the induction period, I.P. and rate of deposit precursor formation R(sub dp), were determined for Jet A fuel. The results of the study support a new theory of deposit formation in jet fuels, which suggest that acid catalyzed ionic reactions compete with free radical reactions to form deposit precursors. The results indicate that deposit precursors form only when aromatics are present in the fuel. Traces of sulfur reduce the rate of autoxidation but increase the yield of deposit precursor. Free radical chemistry is responsible for hydroperoxide formation and the oxidation of sulfur compounds to sulfonic acids. Phenols are then formed by the acid catalyzed decomposition of benzylic hydroperoxides, and deposit precursors are produced by the reaction of phenols with aldehydes, which forms a polymer similar to Bakelite. Deposit precursors appear to have a phenolic resin-like structure because the LIF spectra of the deposit precursors were similar to that of phenolic resin dissolved in TAM.

  7. Electron density reactivity indexes of the tautomeric/ionization forms of thiamin diphosphate.

    PubMed

    Jaña, Gonzalo A; Delgado, Eduardo J

    2013-09-01

    The generation of the highly reactive ylide in thiamin diphosphate catalysis is analyzed in terms of the nucleophilicity of key atoms, by means of density functional calculations at X3LYP/6-31++G(d,p) level of theory. The Fukui functions of all tautomeric/ionization forms are calculated in order to assess their reactivity. The results allow to conclude that the highly conserved glutamic residue does not protonate the N1' atom of the pyrimidyl ring, but it participates in a strong hydrogen bonding, stabilizing the eventual negative charge on the nitrogen, in all forms involved in the ylide generation. This condition provides the necessary reactivity on key atoms, N4' and C2, to carry out the formation of the ylide required to initiate the catalytic cycle of ThDP-dependent enzymes. This study represents a new approach for the ylide formation in ThDP catalysis.

  8. A cermet fuel reactor for nuclear thermal propulsion

    NASA Technical Reports Server (NTRS)

    Kruger, Gordon

    1991-01-01

    Work on the cermet fuel reactor done in the 1960's by General Electric (GE) and the Argonne National Laboratory (ANL) that had as its goal the development of systems that could be used for nuclear rocket propulsion as well as closed cycle propulsion system designs for ship propulsion, space nuclear propulsion, and other propulsion systems is reviewed. It is concluded that the work done in the 1960's has demonstrated that we can have excellent thermal and mechanical performance with cermet fuel. Thousands of hours of testing were performed on the cermet fuel at both GE and AGL, including very rapid transients and some radiation performance history. We conclude that there are no feasibility issues with cermet fuel. What is needed is reactivation of existing technology and qualification testing of a specific fuel form. We believe this can be done with a minimum development risk.

  9. Experimental investigation of piston heat transfer under conventional diesel and reactivity-controlled compression ignition combustion regimes

    DOE Office of Scientific and Technical Information (OSTI.GOV)

    Splitter, Derek A; Hendricks, Terry Lee; Ghandhi, Jaal B

    2014-01-01

    The piston of a heavy-duty single-cylinder research engine was instrumented with 11 fast-response surface thermocouples, and a commercial wireless telemetry system was used to transmit the signals from the moving piston. The raw thermocouple data were processed using an inverse heat conduction method that included Tikhonov regularization to recover transient heat flux. By applying symmetry, the data were compiled to provide time-resolved spatial maps of the piston heat flux and surface temperature. A detailed comparison was made between conventional diesel combustion and reactivity-controlled compression ignition combustion operations at matched conditions of load, speed, boost pressure, and combustion phasing. The integratedmore » piston heat transfer was found to be 24% lower, and the mean surface temperature was 25 C lower for reactivity-controlled compression ignition operation as compared to conventional diesel combustion, in spite of the higher peak heat release rate. Lower integrated piston heat transfer for reactivity-controlled compression ignition was found over all the operating conditions tested. The results showed that increasing speed decreased the integrated heat transfer for conventional diesel combustion and reactivity-controlled compression ignition. The effect of the start of injection timing was found to strongly influence conventional diesel combustion heat flux, but had a negligible effect on reactivity-controlled compression ignition heat flux, even in the limit of near top dead center high-reactivity fuel injection timings. These results suggest that the role of the high-reactivity fuel injection does not significantly affect the thermal environment even though it is important for controlling the ignition timing and heat release rate shape. The integrated heat transfer and the dynamic surface heat flux were found to be insensitive to changes in boost pressure for both conventional diesel combustion and reactivity-controlled compression

  10. Elucidating reactivity regimes in cyclopentane oxidation: Jet stirred reactor experiments, computational chemistry, and kinetic modeling

    DOE PAGES

    Al Rashidi, Mariam J.; Thion, Sebastien; Togbe, Casimir; ...

    2016-06-22

    This study is concerned with the identification and quantification of species generated during the combustion of cyclopentane in a jet stirred reactor (JSR). Experiments were carried out for temperatures between 740 and 1250 K, equivalence ratios from 0.5 to 3.0, and at an operating pressure of 10 atm. The fuel concentration was kept at 0.1% and the residence time of the fuel/O 2/N 2 mixture was maintained at 0.7 s. The reactant, product, and intermediate species concentration profiles were measured using gas chromatography and Fourier transform infrared spectroscopy. The concentration profiles of cyclopentane indicate inhibition of reactivity between 850-1000 Kmore » for φ=2.0 and φ=3.0. This behavior is interesting, as it has not been observed previously for other fuel molecules, cyclic or non-cyclic. A kinetic model including both low- and high-temperature reaction pathways was developed and used to simulate the JSR experiments. The pressure-dependent rate coefficients of all relevant reactions lying on the PES of cyclopentyl + O 2, as well as the C-C and C-H scission reactions of the cyclopentyl radical were calculated at the UCCSD(T)-F12b/cc-pVTZ-F12//M06-2X/6-311++G(d,p) level of theory. The simulations reproduced the unique reactivity trend of cyclopentane and the measured concentration profiles of intermediate and product species. Furthermore, sensitivity and reaction path analyses indicate that this reactivity trend may be attributed to differences in the reactivity of allyl radical at different conditions, and it is highly sensitive to the C-C/C-H scission branching ratio of the cyclopentyl radical decomposition.« less

  11. Reactive Oxygen Species (ROS) generation by lunar simulants

    NASA Astrophysics Data System (ADS)

    Kaur, Jasmeet; Rickman, Douglas; Schoonen, Martin A.

    2016-05-01

    The current interest in human exploration of the Moon and past experiences of Apollo astronauts has rekindled interest into the possible harmful effects of lunar dust on human health. In comparison to the Apollo-era explorations, human explorers may be weeks on the Moon, which will raise the risk of inhalation exposure. The mineralogical composition of lunar dust is well documented, but its effects on human health are not fully understood. With the aim of understanding the reactivity of dusts that may be encountered on geologically different lunar terrains, we have studied Reactive Oxygen Species (ROS) generation by a suite of lunar simulants of different mineralogical-chemical composition dispersed in water and Simulated Lung Fluid (SLF). To further explore the reactivity of simulants under lunar environmental conditions, we compared the reactivity of simulants both in air and inert atmosphere. As the impact of micrometeorites with consequent shock-induced stresses is a major environmental factor on the Moon, we also studied the effect of mechanical stress on samples. Mechanical stress was induced by hand crushing the samples both in air and inert atmosphere. The reactivity of samples after crushing was analyzed for a period of up to nine days. Hydrogen peroxide (H2O2) in water and SLF was analyzed by an in situ electrochemical probe and hydroxyl radical (•OH) by Electron Spin Resonance (ESR) spectroscopy and Adenine probe. Out of all simulants, CSM-CL-S was found to be the most reactive simulant followed by OB-1 and then JSC-1A simulant. The overall reactivity of samples in the inert atmosphere was higher than in air. Fresh crushed samples showed a higher level of reactivity than uncrushed samples. Simulant samples treated to create agglutination, including the formation of zero-valent iron, showed less reactivity than untreated simulants. ROS generation in SLF is initially slower than in deionized water (DI), but the ROS formation is sustained for as long as 7

  12. Microemulsions and Aggregation Formation in Extraction Processes for Used Nuclear Fuel: Thermodynamic and Structural Studies

    DOE Office of Scientific and Technical Information (OSTI.GOV)

    Nilsson, Mikael

    Advanced nuclear fuel cycles rely on successful chemical separation of various elements in the used fuel. Numerous solvent extraction (SX) processes have been developed for the recovery and purification of metal ions from this used material. However, the predictability of process operations has been challenged by the lack of a fundamental understanding of the chemical interactions in several of these separation systems. For example, gaps in the thermodynamic description of the mechanism and the complexes formed will make predictions very challenging. Recent studies of certain extraction systems under development and a number of more established SX processes have suggested thatmore » aggregate formation in the organic phase results in a transformation of its selectivity and efficiency. Aggregation phenomena have consistently been interfering in SX process development, and have, over the years, become synonymous with an undesirable effect that must be prevented. This multiyear, multicollaborative research effort was carried out to study solvation and self-organization in non-aqueous solutions at conditions promoting aggregation phenomena. Our approach to this challenging topic was to investigate extraction systems comprising more than one extraction reagent where synergy of the metal ion could be observed. These systems were probed for the existence of stable microemulsions in the organic phase, and a number of high-end characterization tools were employed to elucidate the role of the aggregates in metal ion extraction. The ultimate goal was to find connections between synergy of metal ion extraction and reverse micellar formation. Our main accomplishment for this project was the expansion of the understanding of metal ion complexation in the extraction system combining tributyl phosphate (TBP) and dibutyl phosphoric acid (HDBP). We have found that for this system no direct correlation exists for the metal ion extraction and the formation of aggregates, meaning

  13. Supermassive Black Hole Fueling and Feedback in Galaxies

    NASA Astrophysics Data System (ADS)

    Comerford, Julia M.

    2018-06-01

    Over the last few decades, observations have revealed surprisingly tight correlations between the properties of galaxies and their supermassive black holes. Active galactic nuclei (AGN) have emerged as key drivers of this coevolution of galaxies and supermassive black holes, by two primary mechanisms: AGN fueling and AGN feedback. Supermassive black holes build up mass by accreting gas during AGN fueling, while AGN feedback is a crucial regulator of star formation that controls the mass growth of the galaxies. In this talk, I will present multiwavelength studies of both AGN fueling and feedback. I will discuss results that address AGN fueling in galaxy mergers, the connection between AGN and star formation, and the effect of AGN outflows on their host galaxies.

  14. Modeling a failure criterion for U-Mo/Al dispersion fuel

    NASA Astrophysics Data System (ADS)

    Oh, Jae-Yong; Kim, Yeon Soo; Tahk, Young-Wook; Kim, Hyun-Jung; Kong, Eui-Hyun; Yim, Jeong-Sik

    2016-05-01

    The breakaway swelling in U-Mo/Al dispersion fuel is known to be caused by large pore formation enhanced by interaction layer (IL) growth between fuel particles and Al matrix. In this study, a critical IL thickness was defined as a criterion for the formation of a large pore in U-Mo/Al dispersion fuel. Specifically, the critical IL thickness is given when two neighboring fuel particles come into contact with each other in the developed IL. The model was verified using the irradiation data from the RERTR tests and KOMO-4 test. The model application to full-sized sample irradiations such as IRISs, FUTURE, E-FUTURE, and AFIP-1 tests resulted in conservative predictions. The parametric study revealed that the fuel particle size and the homogeneity of the fuel particle distribution are influential for fuel performance.

  15. Modeling a failure criterion for U–Mo/Al dispersion fuel

    DOE Office of Scientific and Technical Information (OSTI.GOV)

    Oh, Jae-Yong; Kim, Yeon Soo; Tahk, Young-Wook

    2016-05-01

    The breakaway swelling in U-Mo/Al dispersion fuel is known to be caused by large pore formation enhanced by interaction layer (IL) growth between fuel particles and Al matrix. In this study, a critical IL thickness was defined as a criterion for the formation of a large pore in U-Mo/Al dispersion fuel. Specifically, the critical IL thickness is given when two neighboring fuel particles come into contact with each other in the developed IL. The model was verified using the irradiation data from the RERTR tests and KOMO- 4 test. The model application to full-sized sample irradiations such as IRISs, FUTURE,more » E-FUTURE, and AFIP-1 tests resulted in conservative predictions. The parametric study revealed that the fuel particle size and the homogeneity of the fuel particle distribution are influential for fuel performance.« less

  16. Key Role of Nitrate in Phase Transitions of Urban Particles: Implications of Important Reactive Surfaces for Secondary Aerosol Formation

    NASA Astrophysics Data System (ADS)

    Sun, Jiaxing; Liu, Lei; Xu, Liang; Wang, Yuanyuan; Wu, Zhijun; Hu, Min; Shi, Zongbo; Li, Yongjie; Zhang, Xiaoye; Chen, Jianmin; Li, Weijun

    2018-01-01

    Ammonium sulfate (AS) and ammonium nitrate (AN) are key components of urban fine particles. Both field and model studies showed that heterogeneous reactions of SO2, NO2, and NH3 on wet aerosols accelerated the haze formation in northern China. However, little is known on phase transitions of AS-AN containing haze particles. Here hygroscopic properties of laboratory-generated AS-AN particles and individual particles collected during haze events in an urban site were investigated using an individual particle hygroscopicity system. AS-AN particles showed a two-stage deliquescence at mutual deliquescence relative humidity (MDRH) and full deliquescence relative humidity (DRH) and three physical states: solid before MDRH, solid-aqueous between MDRH and DRH, and aqueous after DRH. During hydration, urban haze particles displayed a solid core and aqueous shell at RH = 60-80% and aqueous phase at RH > 80%. Most particles were in aqueous phase at RH > 50% during dehydration. Our results show that AS content in individual particles determines their DRH and AN content determines their MDRH. AN content increase can reduce MDRH, which indicates occurrence of aqueous shell at lower RH. The humidity-dependent phase transitions of nitrate-abundant urban particles are important to provide reactive surfaces of secondary aerosol formation in the polluted air.

  17. Chromium(IV)–Peroxo Complex Formation and Its Nitric Oxide Dioxygenase Reactivity

    PubMed Central

    Yokoyama, Atsutoshi; Han, Jung Eun; Cho, Jaeheung; Kubo, Minoru; Ogura, Takashi; Siegler, Maxime A.; Karlin, Kenneth D.; Nam, Wonwoo

    2012-01-01

    The O2 and NO reactivity of a Cr(II) complex bearing a 12-membered tetraazamacrocyclic TMC ligand, [CrII(12-TMC)(Cl)]+ (1), and the NO reactivity of its peroxo derivative, [CrIV(12-TMC)(O2)(Cl)]+ (2), are described. By contrast to the previously reported Cr(III)-superoxo complex, [CrIII(14-TMC)(O2)(Cl)]+, a Cr(IV)-peroxo complex (2) is formed in the reaction of 1 and O2. Full spectroscopic and X-ray analysis reveals that 2 possesses a side-on η2-peroxo ligation. A quantitative reaction of 2 with NO affords a reduction in Cr oxidation state and production of a Cr(III)-nitrato complex, [CrIII(12-TMC)(NO3)(Cl)]+ (3). The latter is suggested to form via a Cr(III)-peroxynitrite intermediate. A Cr(II)-nitrosyl complex, [CrII(12-TMC)(NO)(Cl)]+ (4), derived from 1 andNO could also be synthesized; however, it does not react with O2. PMID:22950528

  18. Fundamental Studies of Irradiation-Induced Defect Formation and Fission Product Dynamics in Oxide Fuels

    DOE Office of Scientific and Technical Information (OSTI.GOV)

    Stubbins, James

    2012-12-19

    The objective of this research program is to address major nuclear fuels performance issues for the design and use of oxide-type fuels in the current and advanced nuclear reactor applications. Fuel performance is a major issue for extending fuel burn-up which has the added advantage of reducing the used fuel waste stream. It will also be a significant issue with respect to developing advanced fuel cycle processes where it may be possible to incorporate minor actinides in various fuel forms so that they can be 'burned' rather than join the used fuel waste stream. The potential to fission or transmutemore » minor actinides and certain long-lived fission product isotopes would transform the high level waste storage strategy by removing the need to consider fuel storage on the millennium time scale.« less

  19. In vitro screening of 50 highly prescribed drugs for thiol adduct formation--comparison of potential for drug-induced toxicity and extent of adduct formation.

    PubMed

    Gan, Jinping; Ruan, Qian; He, Bing; Zhu, Mingshe; Shyu, Wen C; Humphreys, W Griffith

    2009-04-01

    Reactive metabolite formation has been associated with drug-induced liver, skin, and hematopoietic toxicity of many drugs that has resulted in serious clinical toxicity, leading to clinical development failure, black box warnings, or, in some cases, withdrawal from the market. In vitro and in vivo screening for reactive metabolite formation has been proposed and widely adopted in the pharmaceutical industry with the aim of minimizing the property and thus the risk of drug-induced toxicity (DIT). One of the most common screening methods is in vitro thiol trapping of reactive metabolites. Although it is well-documented that many hepatotoxins form thiol adducts, there is no literature describing the adduct formation potential of safer drugs that are widely used. The objective of this study was to quantitatively assess the thiol adduct formation potential of 50 drugs (10 associated with DIT and 40 not associated) and document apparent differences in adduct formation between toxic and safer drugs. Dansyl glutathione was used as a trapping agent to aid the quantitation of adducts following in vitro incubation of drugs with human liver microsomes in the presence and absence of NADPH. Metabolic turnover of these drugs was also monitored by LC/UV. Overall, 15 out of the 50 drugs screened formed detectable levels of thiol adducts. There were general trends toward more positive findings in the DIT group vs the non-DIT group. These trends became more marked when the relative amount of thiol adducts was taken into account and improved further when dose and total daily reactive metabolite burdens were considered. In conclusion, there appears to be a general trend between the extent of thiol adduct formation and the potential for DIT, which would support the preclinical measurement and minimization of the property through screening of thiol adduct formation as part of an overall discovery optimization paradigm.

  20. [Mechanisms of immune deposit formation in glomerulonephritis].

    PubMed

    Bussolati, B; Camussi, G

    1996-03-01

    Recent experimental studies allowed the identification of several mechanisms of immune deposit formation, which are able to reproduce the morphological and clinical pattern of human glomerulonephritis. Moreover, it was shown that most of the lesions considered, in the past, as due to circulating immune complexes (IC), are instead caused by the "in situ" formation of IC. As a result of these studies, the following schematic classification was proposed: 1) immune deposits formed by glomerular localization of IC primarily formed in the circulation; 2) immune deposits formed "in situ" by reaction of circulating antibodies with fixed structural antigens; 3) immune deposits formed "in situ" by antibodies reactive with movable structural antigens; 4) immune deposits formed "in situ" by antibodies reactive with sequestered antigens leaking out of tissues; 5) IC formed "in situ" by antibodies reactive with exogenous or non-glomerular endogenous antigens planted in the glomeruli; 6) ANCA-associated glomerular disease.

  1. 40 CFR 80.596 - How is a refinery motor vehicle diesel fuel volume baseline calculated?

    Code of Federal Regulations, 2012 CFR

    2012-07-01

    ... vehicle diesel fuel produced during the most recent calendar year the refinery was in operation after... the U.S. during the most recent calendar year the refinery was in operation after being reactivated... most recent calendar year the refinery was in operation after being reactivated pursuant to § 80.595(c...

  2. 40 CFR 80.596 - How is a refinery motor vehicle diesel fuel volume baseline calculated?

    Code of Federal Regulations, 2013 CFR

    2013-07-01

    ... vehicle diesel fuel produced during the most recent calendar year the refinery was in operation after... the U.S. during the most recent calendar year the refinery was in operation after being reactivated... most recent calendar year the refinery was in operation after being reactivated pursuant to § 80.595(c...

  3. 40 CFR 80.596 - How is a refinery motor vehicle diesel fuel volume baseline calculated?

    Code of Federal Regulations, 2014 CFR

    2014-07-01

    ... vehicle diesel fuel produced during the most recent calendar year the refinery was in operation after... the U.S. during the most recent calendar year the refinery was in operation after being reactivated... most recent calendar year the refinery was in operation after being reactivated pursuant to § 80.595(c...

  4. Shock initiated reactions of reactive multi-phase blast explosives

    NASA Astrophysics Data System (ADS)

    Wilson, Dennis; Granier, John; Johnson, Richard; Littrell, Donald

    2017-01-01

    This paper describes a new class of non-ideal explosive compositions made of perfluoropolyether (PFPE), nanoaluminum, and a micron-size, high mass density, reactive metal. Unlike high explosives, these compositions release energy via a fast self-oxidized combustion wave rather than a true self-sustaining detonation. Their reaction rates are shock dependent and they can be overdriven to change their energy release rate. These compositions are fuel rich and have an extended aerobic energy release phase. The term "reactive multiphase blast" refers to the post-dispersion blast behavior: multiphase in that there are a gas phase that imparts pressure and a solid (particulate) phase that imparts energy and momentum [1]; and reactive in that the hot metal particles react with atmospheric oxygen and the explosive gas products to give an extended pressure pulse. Tantalum-based RMBX formulations were tested in two spherical core-shell configurations - an RMBX shell exploded by a high explosive core, and an RMBX core imploded by a high explosive shell. The fireball and blast characteristics were compared to a C-4 baseline charge.

  5. Demonstration of fuel resistant to pellet-cladding interaction. Phase I. Final report

    DOE Office of Scientific and Technical Information (OSTI.GOV)

    Rosenbaum, H.S.

    1979-03-01

    This program has as its ultimate objective the demonstration of an advanced fuel design that is resistant to the failure mechanism known as fuel pellet-cladding interaction (PCI). Two fuel concepts are being developed for possible demonstration within this program: (a) Cu-barrier fuel, and (b) Zr-liner fuel. These advanced fuels (known collectively as barrier fuels) have special fuel cladding designed to protect the Zircaloy cladding tube from the harmful effects of localized stress, and reactive fission products during reactor service. This is the final report for PHASE 1 of this program. Support tests have shown that the barrier fuel resists PCImore » far better than does the conventional Zircaloy-clad fuel. Power ramp tests thus far have shown good PCI resistance for Cu-barrier fuel at burnup > 12 MWd/kg-U and for Zr-liner fuel > 16 MWd/kg-U. The program calls for continued testing to still higher burnup levels in PHASE 2.« less

  6. Enhancing BWR proliferation resistance fuel with minor actinides

    NASA Astrophysics Data System (ADS)

    Chang, Gray S.

    2009-03-01

    To reduce spent fuel for storage and enhance the proliferation resistance for the intermediate-term, there are two major approaches (a) increase the discharged spent fuel burnup in the advanced light water reactor- LWR (Gen-III Plus), which not only can reduce the spent fuel for storage, but also increase the 238Pu isotopes ratio to enhance the proliferation resistance, and (b) use of transuranic nuclides ( 237Np and 241Am) in the high burnup fuel, which can drastically increase the proliferation resistance isotope ratio of 238Pu/Pu. For future advanced nuclear systems, minor actinides (MA) are viewed more as a resource to be recycled, and transmuted to less hazardous and possibly more useful forms, rather than simply disposed of as a waste stream in an expensive repository facility. As a result, MAs play a much larger part in the design of advanced systems and fuel cycles, not only as additional sources of useful energy, but also as direct contributors to the reactivity control of the systems into which they are incorporated. In the study, a typical boiling water reactor (BWR) fuel unit lattice cell model with UO 2 fuel pins will be used to investigate the effectiveness of minor actinide reduction approach (MARA) for enhancing proliferation resistance and improving the fuel cycle performance in the intermediate-term goal for future nuclear energy systems. To account for the water coolant density variation from the bottom (0.76 g/cm 3) to the top (0.35 g/cm 3) of the core, the axial coolant channel and fuel pin were divided to 24 nodes. The MA transmutation characteristics at different elevations were compared and their impact on neutronics criticality discussed. The concept of MARA, which involves the use of transuranic nuclides ( 237Np and/or 241Am), significantly increases the 238Pu/Pu ratio for proliferation resistance, as well as serves as a burnable absorber to hold-down the initial excess reactivity. It is believed that MARA can play an important role in

  7. Investigation of ambient OH reactivity at a receptor site impacted by industrial, urban and marine emissions: Identification of missing OH reactivity

    NASA Astrophysics Data System (ADS)

    Dusanter, Sébastien; Michoud, Vincent; Léonardis, Thierry; Locoge, Nadine; Riffault, Véronique; Zhang, Shouwen

    2015-04-01

    The hydroxyl radical (OH), the main daytime oxidant in the troposphere, plays a key role in atmospheric chemistry. OH initiates the oxidation of most of the trace gases, including Volatile Organic Compounds (VOC), leading to the formation of harmful secondary pollutants such as ozone and secondary organic aerosols. VOCs are directly emitted by a large number of natural and anthropogenic sources and can be formed photochemically. It is expected that several thousand VOCs could be present in the troposphere at ppt-ppb levels (Goldstein and Galbally, ES&T, 2007), making exhaustive measurements of VOCs currently unfeasible with common analytical techniques. In this context, measuring the total sink of OH, so called total OH reactivity, can provide insights into the reactivity of unmeasured trace gases to test the completeness of VOC measurements during field campaigns. A Comparative Reactivity Method (CRM) instrument was deployed in Dunkirk (France) to measure ambient OH reactivity during July 2014. An objective of this field campaign was to investigate the OH reactivity budget in different types of air masses, characterized by industrial, urban, and marine emissions, as well as different photochemical ages. Collocated measurements of non-methane hydrocarbons, oxygenated VOCs, and inorganic gases were also performed. OH reactivity measurements ranged from the detection limit of 3 s-1 up to 90 s-1, with a campaign average of approximately 14 s-1. Large discrepancies were observed between OH reactivity measurements and values calculated from measured trace gases, highlighting the presence of unmeasured reactive compounds. In this presentation, the measured and missing OH reactivity will be discussed regarding air mass origins and compositions. We will also present a novel approach that was implemented on the CRM instrument to identify part of the observed missing OH reactivity.

  8. Fuel Performance Calculations for FeCrAl Cladding in BWRs

    DOE Office of Scientific and Technical Information (OSTI.GOV)

    George, Nathan; Sweet, Ryan; Maldonado, G. Ivan

    2015-01-01

    This study expands upon previous neutronics analyses of the reactivity impact of alternate cladding concepts in boiling water reactor (BWR) cores and directs focus toward contrasting fuel performance characteristics of FeCrAl cladding against those of traditional Zircaloy. Using neutronics results from a modern version of the 3D nodal simulator NESTLE, linear power histories were generated and supplied to the BISON-CASL code for fuel performance evaluations. BISON-CASL (formerly Peregrine) expands on material libraries implemented in the BISON fuel performance code and the MOOSE framework by providing proprietary material data. By creating material libraries for Zircaloy and FeCrAl cladding, the thermomechanical behaviormore » of the fuel rod (e.g., strains, centerline fuel temperature, and time to gap closure) were investigated and contrasted.« less

  9. Movable-molybdenum-reflector reactivity experiments for control studies of compact space power reactor concepts

    NASA Technical Reports Server (NTRS)

    Fox, T. A.

    1973-01-01

    An experimental reflector reactivity study was made with a compact cylindrical reactor using a uranyl fluoride - water fuel solution. The reactor was axially unreflected and radially reflected with segments of molybdenum. The reflector segments were displaced incrementally in both the axial and radial dimensions, and the shutdown of each configuration was measured by using the pulsed-neutron source technique. The reactivity effects for axial and radial displacement of reflector segments are tabulated separately and compared. The experiments provide data for control-system studies of compact-space-power-reactor concepts.

  10. Reactive transport and mass balance modeling of the Stimson sedimentary formation and altered fracture zones constrain diagenetic conditions at Gale crater, Mars

    NASA Astrophysics Data System (ADS)

    Hausrath, E. M.; Ming, D. W.; Peretyazhko, T. S.; Rampe, E. B.

    2018-06-01

    On a planet as cold and dry as present-day Mars, evidence of multiple aqueous episodes offers an intriguing view into very different past environments. Fluvial, lacustrine, and eolian depositional environments are being investigated by the Mars Science Laboratory Curiosity in Gale crater, Mars. Geochemical and mineralogical observations of these sedimentary rocks suggest diagenetic processes affected the sediments. Here, we analyze diagenesis of the Stimson formation eolian parent material, which caused loss of olivine and formation of magnetite. Additional, later alteration in fracture zones resulted in preferential dissolution of pyroxene and precipitation of secondary amorphous silica and Ca sulfate. The ability to compare the unaltered parent material with the reacted material allows constraints to be placed on the characteristics of the altering solutions. In this work we use a combination of a mass balance approach calculating the fraction of a mobile element lost or gained, τ, with fundamental geochemical kinetics and thermodynamics in the reactive transport code CrunchFlow to examine the characteristics of multiple stages of aqueous alteration at Gale crater, Mars. Our model results indicate that early diagenesis of the Stimson sedimentary formation is consistent with leaching of an eolian deposit by a near-neutral solution, and that formation of the altered fracture zones is consistent with a very acidic, high sulfate solution containing Ca, P and Si. These results indicate a range of past aqueous conditions occurring at Gale crater, Mars, with important implications for past martian climate and environments.

  11. Apple polyphenols, phloretin and phloridzin: new trapping agents of reactive dicarbonyl species.

    PubMed

    Shao, Xi; Bai, Naisheng; He, Kan; Ho, Chi-Tang; Yang, Chung S; Sang, Shengmin

    2008-10-01

    Reactive dicarbonyl species, such as methylglyoxal (MGO) and glyoxal (GO), have received extensive attention recently due to their high reactivity and ability to form advanced glycation end products (AGEs) with biological substances such as proteins, phospholipids, and DNA. In the present study, we found that both phloretin and its glucoside, phloridzin, the major bioactive apple polyphenols, could efficiently trap reactive MGO or GO to form mono- and di-MGO or GO adducts under physiological conditions (pH 7.4, 37 degrees C). More than 80% MGO was trapped within 10 min, and 68% GO was trapped within 24 h by phloretin. Phloridzin also had strong trapping efficiency by quenching more than 70% MGO and 60% GO within 24 h. The glucosylation of the hydroxyl group at position 2 could significantly slow down the trapping rate and the formation of MGO or GO adducts. The products formed from phloretin (or phloridzin) and MGO (or GO), combined at different ratios, were analyzed using LC/MS. We successfully purified the major mono-MGO adduct of phloridzin and found that it was a mixture of tautomers based on the one- and two-dimensional NMR spectra. Our LC/MS and NMR data showed that positions 3 and 5 of the phloretin or phloridzin A ring were the major active sites for trapping reactive dicarbonyl species. We also found that phloretin was more reactive than lysine and arginine in terms of trapping reactive dicarbonyl species, MGO or GO. Our results suggest that dietary flavonoids that have the same A ring structure as phloretin may have the potential to trap reactive dicarbonyl species and therefore inhibit the formation of AGEs.

  12. Synthesis and characterization of magnesium doped cerium oxide for the fuel cell application

    DOE Office of Scientific and Technical Information (OSTI.GOV)

    Kumar, Amit; Kumari, Monika; Kumar, Mintu

    2016-05-06

    Cerium oxide has attained much attentions in global nanotechnology market due to valuable application for catalytic, fuel additive, and widely as electrolyte in solid oxide fuel cell. Doped cerium oxide has large oxygen vacancies that allow for greater reactivity and faster ion transport. These properties make cerium oxide suitable material for SOFCs application. Cerium oxide electrolyte requires lower operation temperature which shows improvement in processing and the fabrication technique. In our work, we synthesized magnesium doped cerium oxide by the co-precipitation method. With the magnesium doping catalytic reactivity of CeO{sub 2} was increased. Synthesized nanoparticle were characterized by the XRDmore » and UV absorption techniques.« less

  13. Coupled multiphase reactive flow and mineral dissolution-precipitation kinetics: Examples of long-term CO2 sequestration in Utsira Sand, Norway and Mt. Simon Formation, Midwest USA

    NASA Astrophysics Data System (ADS)

    Zhang, Y.; Zhang, G.; Lu, P.; Hu, B.; Zhu, C.

    2017-12-01

    The extent of CO2 mineralization after CO2 injection into deep saline aquifers is a result of the complex coupling of multiphase fluid flow, mass transport, and brine-mineral reactions. The effects of dissolution rate laws and groundwater flow on the long-term fate of CO2 have been seriously overlooked. To investigate these effects, we conducted multiphase (CO2 and brine) coupled reactive transport modeling of CO2 storage in two sandy formations (Utsira Sand, Norway1,2 and Mt. Simon formation, USA 3) using ToughReact and simulated a series of scenarios. The results indicated that: (1) Different dissolution rate laws for feldspars can significantly affect the amount of CO2 mineralization. Increased feldspar dissolution will promote CO2 mineral trapping through the coupling between feldspar dissolution and carbonate mineral precipitation at raised pH. The predicted amount of CO2 mineral trapping when using the principle of detailed balancing-based rate law for feldspar dissolution is about twice as much as that when using sigmoidal rate laws in the literature. (2) Mineral trapping is twice as much when regional groundwater flow is taken into consideration in long-term simulations (e.g., 10,000 years) whereas most modeling studies neglected the regional groundwater flow back and effectively simulated a batch reactor process. Under the influence of regional groundwater flow, the fresh brine from upstream continuously dissolves CO2 at the tail of CO2 plume, generating a large acidified area where large amount of CO2 mineralization takes place. The upstream replenishment of groundwater results in ˜22% mineral trapping at year 10,000, compared to ˜4% when this effect is ignored. Refs: 1Zhang, G., Lu, P., Wei, X., Zhu, C. (2016). Impacts of Mineral Reaction Kinetics and Regional Groundwater Flow on Long-Term CO2 Fate at Sleipner. Energy & Fuels, 30(5), 4159-4180. 2Zhu, C., Zhang, G., Lu, P., Meng, L., Ji, X. (2015). Benchmark modeling of the Sleipner CO2 plume

  14. Between-cycle laser system for depressurization and resealing of modified design nuclear fuel assemblies

    DOEpatents

    Bradley, John G.

    1982-01-01

    A laser beam is used to puncture fuel cladding for release of contained pressurized fission gas from plenum sections or irradiated fuel pins. Exhausted fission gases are collected and trapped for safe disposal. The laser beam, adjusted to welding mode, is subsequently used to reseal the puncture holes. The fuel assembly is returned to additional irradiation or, if at end of reactivity lifetime, is routed to reprocess. The fuel assembly design provides graded cladding lengths, by rows or arrays, such that the cladding of each component fuel element of the assembly is accessible to laser beam reception.

  15. Synthesis and characterization of palm oil fuel ash (POFA) and metakaolin based geopolymer for possible application in nanocoating

    NASA Astrophysics Data System (ADS)

    Khan, Ihsan Ullah; Bhat, A. H.; Masset, Patrick J.; Khan, Farman Ullah; Rehman, Wajid Ur

    2016-11-01

    The main aim of this study was to synthesize and characterize highly amorphous geopolymer from palm oil fuel ash (POFA) and metakaolin, to be used as nanocoating. Geopolymers are man-made aluminosilicate materials that are amorphous analogues of zeolites. The geopolymers were made by condensing a mixture of raw materials metakaolin and palm oil fuel ash (POFA) with alkaline activator at a fixed ratio at room temperature. The kaolin type clay was calcined at 700 °C for 4hrs to transform it into amorphous metakaolin which is more reactive precursor for geopolymer formation. The characteristics of metakaolin and geopolymers (metakaolin and palm oil fuel ash based geopolymers) were analyzed by using x-ray fluorescence (XRF), Fourier transform infra-red spectrometry (FTIR), Thermogravimetric analysis (TG/DTA) and scanning electron microscopy with energy dispersive x-ray analysis (SEM-EDX). FTIR revealed the presence of Al-O and Si-O stretching vibrations of amorphous alumino-silicate structure for metakaolin, palm oil fuel ash and geopolymers. SEM-EDX images showed the presence of reaction product complementary to NASH (N = Na2O, A = Al2O3, S = SiO2, H = H2O) solid. The resulting geopolymers that were synthesized with NaOH/Na2SiO3 solution cured at 60 °C for 3 days. The results demonstrated the suitability of metakaolin and palm oil fuel ash (POFA) for synthesis of geopolymer at room temperatures.

  16. Measurements of total OH reactivity during PROPHET-AMOS 2016

    NASA Astrophysics Data System (ADS)

    Rickly, P.; Sakowski, J.; Bottorff, B.; Lew, M.; Stevens, P. S.; Sklaveniti, S.; Locoge, N.; Dusanter, S.

    2017-12-01

    As one of the main oxidant in the atmosphere, the hydroxyl radical (OH) initiates the oxidation of volatile organic compounds that can lead to the formation of ozone and secondary organic aerosols. Understanding both the sources and sinks of OH is therefore important to address issues related to air quality and climate change. Measurements of total OH reactivity can provide an important test of our understanding of the OH radical budget. Recent measurements of total reactivity in many environments have been greater than calculated based on the measured concentration of VOCs, suggesting that important OH sinks in these environments are not well characterized. Measurements of total OH reactivity were performed in a forested environment during the PROPHET - AMOS field campaign (Program for Research on Oxidants: PHotochemisty, Emissions, and Transport - Atmospheric Measurements of Oxidants in Summer) using the Comparative Reactivity Method (CRM) and the Total OH Loss Rate Method (TOHLM). The site is characterized by large emissions of isoprene and monoterpenes and low anthropogenic influence. Measurements of total OH reactivity using these two techniques agree to within their respective uncertainties, giving confidence in the measured OH reactivity. In addition, measurements of trace gases (VOCs, NOx, O3) were used to perform a comprehensive apportionment of OH sinks. These measurements are used in a chemical model using the Master Chemical Mechanism to calculate the expected OH reactivity. The results will be compared to previous measurements of total OH reactivity at this site.

  17. Potential of secondary aerosol formation from Chinese gasoline engine exhaust.

    PubMed

    Du, Zhuofei; Hu, Min; Peng, Jianfei; Guo, Song; Zheng, Rong; Zheng, Jing; Shang, Dongjie; Qin, Yanhong; Niu, He; Li, Mengren; Yang, Yudong; Lu, Sihua; Wu, Yusheng; Shao, Min; Shuai, Shijin

    2018-04-01

    Light-duty gasoline vehicles have drawn public attention in China due to their significant primary emissions of particulate matter and volatile organic compounds (VOCs). However, little information on secondary aerosol formation from exhaust for Chinese vehicles and fuel conditions is available. In this study, chamber experiments were conducted to quantify the potential of secondary aerosol formation from the exhaust of a port fuel injection gasoline engine. The engine and fuel used are common in the Chinese market, and the fuel satisfies the China V gasoline fuel standard. Substantial secondary aerosol formation was observed during a 4-5hr simulation, which was estimated to represent more than 10days of equivalent atmospheric photo-oxidation in Beijing. As a consequence, the extreme case secondary organic aerosol (SOA) production was 426±85mg/kg-fuel, with high levels of precursors and OH exposure. The low hygroscopicity of the aerosols formed inside the chamber suggests that SOA was the dominant chemical composition. Fourteen percent of SOA measured in the chamber experiments could be explained through the oxidation of speciated single-ring aromatics. Unspeciated precursors, such as intermediate-volatility organic compounds and semi-volatile organic compounds, might be significant for SOA formation from gasoline VOCs. We concluded that reductions of emissions of aerosol precursor gases from vehicles are essential to mediate pollution in China. Copyright © 2017. Published by Elsevier B.V.

  18. Two-loop controller for maximizing performance of a grid-connected photovoltaic - fuel cell hybrid power plant

    NASA Astrophysics Data System (ADS)

    Ro, Kyoungsoo

    The study started with the requirement that a photovoltaic (PV) power source should be integrated with other supplementary power sources whether it operates in a stand-alone or grid-connected mode. First, fuel cells for a backup of varying PV power were compared in detail with batteries and were found to have more operational benefits. Next, maximizing performance of a grid-connected PV-fuel cell hybrid system by use of a two-loop controller was discussed. One loop is a neural network controller for maximum power point tracking, which extracts maximum available solar power from PV arrays under varying conditions of insolation, temperature, and system load. A real/reactive power controller (RRPC) is the other loop. The RRPC meets the system's requirement for real and reactive powers by controlling incoming fuel to fuel cell stacks as well as switching control signals to a power conditioning subsystem. The RRPC is able to achieve more versatile control of real/reactive powers than the conventional power sources since the hybrid power plant does not contain any rotating mass. Results of time-domain simulations prove not only effectiveness of the proposed computer models of the two-loop controller, but also their applicability for use in transient stability analysis of the hybrid power plant. Finally, environmental evaluation of the proposed hybrid plant was made in terms of plant's land requirement and lifetime COsb2 emissions, and then compared with that of the conventional fossil-fuel power generating forms.

  19. The impact of steam and current density on carbon formation from biomass gasification tar on Ni/YSZ, and Ni/CGO solid oxide fuel cell anodes

    NASA Astrophysics Data System (ADS)

    Mermelstein, Joshua; Millan, Marcos; Brandon, Nigel

    The combination of solid oxide fuel cells (SOFCs) and biomass gasification has the potential to become an attractive technology for the production of clean renewable energy. However the impact of tars, formed during biomass gasification, on the performance and durability of SOFC anodes has not been well established experimentally. This paper reports an experimental study on the mitigation of carbon formation arising from the exposure of the commonly used Ni/YSZ (yttria stabilized zirconia) and Ni/CGO (gadolinium-doped ceria) SOFC anodes to biomass gasification tars. Carbon formation and cell degradation was reduced through means of steam reforming of the tar over the nickel anode, and partial oxidation of benzene model tar via the transport of oxygen ions to the anode while operating the fuel cell under load. Thermodynamic calculations suggest that a threshold current density of 365 mA cm -2 was required to suppress carbon formation in dry conditions, which was consistent with the results of experiments conducted in this study. The importance of both anode microstructure and composition towards carbon deposition was seen in the comparison of Ni/YSZ and Ni/CGO anodes exposed to the biomass gasification tar. Under steam concentrations greater than the thermodynamic threshold for carbon deposition, Ni/YSZ anodes still exhibited cell degradation, as shown by increased polarization resistances, and carbon formation was seen using SEM imaging. Ni/CGO anodes were found to be more resilient to carbon formation than Ni/YSZ anodes, and displayed increased performance after each subsequent exposure to tar, likely due to continued reforming of condensed tar on the anode.

  20. Final Progress Report, Renewable and Logistics Fuels for Fuel Cells at the Colorado School of Mines

    DOE Office of Scientific and Technical Information (OSTI.GOV)

    Sullivan, Neal P.

    The objective of this program is to advance the current state of technology of solid-oxide fuel cells (SOFCs) to improve performance when operating on renewable and logistics hydrocarbon fuel streams. Outcomes will include: 1.) new SOFC materials and architectures that address the technical challenges associated with carbon-deposit formation and sulfur poisoning; 2.) new integration strategies for combining fuel reformers with SOFCs; 3.) advanced modeling tools that bridge the scales of fundamental charge-transfer chemistry to system operation and control; and 4.) outreach through creation of the Distinguished Lecturer Series to promote nationwide collaboration with fuel-cell researchers and scientists.

  1. Electroencephalographic reactivity testing in unconscious patients: a systematic review of methods and definitions.

    PubMed

    Admiraal, M M; van Rootselaar, A-F; Horn, J

    2017-02-01

    Electroencephalographic (EEG) reactivity testing is often presented as a clear-cut element of electrophysiological testing. Absence of EEG reactivity is generally considered an indicator of poor outcome, especially in patients after cardiac arrest. However, guidelines do not clearly describe how to test for reactivity and how to evaluate the results. In a quest for clear guidelines, we performed a systematic review aimed at identifying testing methods and definitions of EEG reactivity. We systematically searched the literature between 1970 and May 2016. Methodological quality of the studies was assessed using the QUality In Prognostic Studies tool. Quality of the descriptions of stimulus protocol and reactivity definition was rated on a four-category grading scale based on reproducibility. We found that protocols for EEG reactivity testing vary greatly and descriptions of protocols are almost never replicable. Furthermore, replicable definitions of presence or absence of EEG reactivity are never provided. In order to draw firm conclusions on EEG reactivity as a prognostic factor, future studies should include a precise stimulation protocol and reactivity definition to facilitate guideline formation. © 2016 EAN.

  2. Formation of reactive oxygen by N2O decomposition over binuclear cationic sites of Fe-ferrierite zeolite: Periodic DFT + U study

    NASA Astrophysics Data System (ADS)

    Avdeev, Vasilii I.; Bedilo, Alexander F.

    2018-03-01

    The electronic nature of sites over Fe-ferrierite zeolite stabilizing active α-oxygen is analyzed by the periodic DFT + U approach. It is shown that two antiferromagnetically coupled Fe2+ cations with bridging OH-bonds form a stable bi-nuclear site of the [Fe2+<2OH>Fe2+] doped FER complex. Frontier orbitals of this complex populated by two electrons with minority spins are localized in the bandgap. As a result, [Fe2+<2OH>Fe2+] unit acquires the properties of a binuclear Lewis acid dipolarophile for 1,3-dipole N2O. First reaction step of N2O decomposition follows the Huisgen‧s concept of the 1,3-dipolar cycloaddition concept followed by the formation of reactive oxygen species Fesbnd O.

  3. RESEARCH PROJECT -- PERMEABLE REACTIVE BARRIERS FOR REMEDIATION OF CONTAMINATED GROUNDWATERS(SUBSURFACE PROTECTION AND REMEDIATION DIVISION, (NRMRL)

    EPA Science Inventory

    Permeable reactive barrier (PRB) technology is gradually being accepted as a viable alternative to conventional groundwater remediation systems such as pump and treat. PRB technology involves the placement or formation of a reactive treatment zone in the path of a dissolved conta...

  4. Atomic-level spatial distributions of dopants on silicon surfaces: toward a microscopic understanding of surface chemical reactivity

    NASA Astrophysics Data System (ADS)

    Hamers, Robert J.; Wang, Yajun; Shan, Jun

    1996-11-01

    We have investigated the interaction of phosphine (PH 3) and diborane (B 2H 6) with the Si(001) surface using scanning tunneling microscopy, infrared spectroscopy, and ab initio molecular orbital calculations. Experiment and theory show that the formation of PSi heterodimers is energetically favorable compared with formation of PP dimers. The stability of the heterodimers arises from a large strain energy associated with formation of PP dimers. At moderate P coverages, the formation of PSi heterodimers leaves the surface with few locations where there are two adjacent reactive sites. This in turn modifies the chemical reactivity toward species such as PH 3, which require only one site to adsorb but require two adjacent sites to dissociate. Boron on Si(001) strongly segregates into localized regions of high boron concentration, separated by large regions of clean Si. This leads to a spatially-modulated chemical reactivity which during subsequent growth by chemical vapor deposition (CVD) leads to formation of a rough surface. The implications of the atomic-level spatial distribution of dopants on the rates and mechanisms of CVD growth processes are discussed.

  5. Moving bed reactor for solar thermochemical fuel production

    DOEpatents

    Ermanoski, Ivan

    2013-04-16

    Reactors and methods for solar thermochemical reactions are disclosed. Embodiments of reactors include at least two distinct reactor chambers between which there is at least a pressure differential. In embodiments, reactive particles are exchanged between chambers during a reaction cycle to thermally reduce the particles at first conditions and oxidize the particles at second conditions to produce chemical work from heat. In embodiments, chambers of a reactor are coupled to a heat exchanger to pre-heat the reactive particles prior to direct exposure to thermal energy with heat transferred from reduced reactive particles as the particles are oppositely conveyed between the thermal reduction chamber and the fuel production chamber. In an embodiment, particle conveyance is in part provided by an elevator which may further function as a heat exchanger.

  6. Reactive nitrogen partitioning and its relationship to winter ozone events in Utah

    NASA Astrophysics Data System (ADS)

    Wild, R. J.; Edwards, P. M.; Bates, T. S.; Cohen, R. C.; de Gouw, J. A.; Dubé, W. P.; Gilman, J. B.; Holloway, J.; Kercher, J.; Koss, A.; Lee, L.; Lerner, B.; McLaren, R.; Quinn, P. K.; Roberts, J. M.; Stutz, J.; Thornton, J. A.; Veres, P. R.; Warneke, C.; Williams, E.; Young, C. J.; Yuan, B.; Brown, S. S.

    2015-08-01

    High wintertime ozone levels have been observed in the Uintah Basin, Utah, a sparsely populated rural region with intensive oil and gas operations. The reactive nitrogen budget plays an important role in tropospheric ozone formation. Measurements were taken during three field campaigns in the winters of 2012, 2013, and 2014, which experienced varying climatic conditions. Average concentrations of ozone and total reactive nitrogen were observed to be 2.5 times higher in 2013 than 2012, with 2014 an intermediate year in most respects. However, photochemically active NOx(NO+NO2), remained remarkably similar all three years. Roughly half of the more oxidized forms of nitrogen were composed of nitric acid in 2013, with nighttime nitric acid formation through heterogeneous uptake of N2O5 contributing approximately 6 times more than daytime formation. The nighttime N2O5 lifetime between the high-ozone year 2013 and the low-ozone year 2012 is lower by a factor 2.6, and much of this is due to higher aerosol surface area in the high ozone year of 2013. A box-model simulation supports the importance of nighttime chemistry on the reactive nitrogen budget, showing a large sensitivity of NOx and ozone concentrations to nighttime processes.

  7. A Reactive Transport Model for Marcellus Shale Weathering

    NASA Astrophysics Data System (ADS)

    Li, L.; Heidari, P.; Jin, L.; Williams, J.; Brantley, S.

    2017-12-01

    Shale formations account for 25% of the land surface globally. One of the most productive shale-gas formations is the Marcellus, a black shale that is rich in organic matter and pyrite. As a first step toward understanding how Marcellus shale interacts with water, we developed a reactive transport model to simulate shale weathering under ambient temperature and pressure conditions, constrained by soil chemistry and water data. The simulation was carried out for 10,000 years, assuming bedrock weathering and soil genesis began right after the last glacial maximum. Results indicate weathering was initiated by pyrite dissolution for the first 1,000 years, leading to low pH and enhanced dissolution of chlorite and precipitation of iron hydroxides. After pyrite depletion, chlorite dissolved slowly, primarily facilitated by the presence of CO2 and organic acids, forming vermiculite as a secondary mineral. A sensitivity analysis indicated that the most important controls on weathering include the presence of reactive gases (CO2 and O2), specific surface area, and flow velocity of infiltrating meteoric water. The soil chemistry and mineralogy data could not be reproduced without including the reactive gases. For example, pyrite remained in the soil even after 10,000 years if O2 was not continuously present in the soil column; likewise, chlorite remained abundant and porosity remained small with the presence of soil CO2. The field observations were only simulated successfully when the specific surface areas of the reactive minerals were 1-3 orders of magnitude smaller than surface area values measured for powdered minerals, reflecting the lack of accessibility of fluids to mineral surfaces and potential surface coating. An increase in the water infiltration rate enhanced weathering by removing dissolution products and maintaining far-from-equilibrium conditions. We conclude that availability of reactive surface area and transport of H2O and gases are the most important

  8. Effects of Fuel Composition on Combustion Stability and NO X Emissions for Traditional and Alternative Jet Fuels

    NASA Astrophysics Data System (ADS)

    Vijlee, Shazib Z.

    differences in flame stabilization can be attributed to the rate at which these fuels are attacked and destroyed by radical species. The slow disintegration of the aromatic rings reduces the radical pool available for chain-initiating and chain-branching, which ultimately leads to an earlier blowout. The NOX study compares JP8, the aromatic additive, the synthetic fuels with and without an aromatic additive, and an aromatic surrogate (1,3,5-trimethylbenzene). A jet stirred reactor is used to try and isolate temperature and chemical effects. The reactor has a volume of 15.8 mL and a residence time of approximately 2.5 ms. The fuel flow rate (hence equivalence ratio) is adjusted to achieve nominally consistent temperatures of 1800, 1850, and 1900K. Small oscillations in fuel flow rate cause the data to appear in bands, which facilitated Arrhenius-type NOX-temperature correlations for direct comparison between fuels. The fuel comparisons are somewhat inconsistent, especially when the aromatic fuel is blended into the synthetic fuels. In general, the aromatic surrogate (1,3,5-trimethylbenzene) produces the most NOX, followed by JP8. The synthetic fuels (without aromatic additive) are always in the same ranking order for NOX production (HP Camelina > FT Coal > FT Natural Gas > HP Tallow). The aromatic additive ranks differently based on the temperature, which appears to indicate that some of the differences in NOX formation are due to the Zeldovich NOX formation pathway. The aromatic additive increases NOX for the HP Tallow and decreases NOX for the FT Coal. The aromatic additive causes increased NOX at low temperatures but decreases NOX at high temperatures for the HP Camelina and FT Natural Gas. A single perfectly stirred reactor model is used with several chemical kinetic mechanisms to study the effects of fuel (and fuel class) on NO X formation. The 27 unique NOX formation reactions from GRI 3.0 are added to published mechanisms for jet fuel surrogates. The investigation first

  9. Low-temperature formation of c-axis-oriented aluminum nitride thin films by plasma-assisted reactive pulsed-DC magnetron sputtering

    NASA Astrophysics Data System (ADS)

    Takenaka, Kosuke; Satake, Yoshikatsu; Uchida, Giichiro; Setsuhara, Yuichi

    2018-01-01

    The low-temperature formation of c-axis-oriented aluminum nitride thin films was demonstrated by plasma-assisted reactive pulsed-DC magnetron sputtering. The effects of the duty cycle at the pulsed-DC voltage applied to the Al target on the properties of AlN films formed via inductively coupled plasma (ICP)-enhanced pulsed-DC magnetron sputtering deposition were investigated. With decreasing duty cycle at the target voltage, the peak intensity of AlN(0002) increased linearly. The surface roughness of AlN films decreased since there was an increase in film density owing to the impact of energetic ions on the films together with the enhancement of nitriding associated with the relative increase in N radical flux. The improvement of both the crystallinity and surface morphology of AlN films at low temperatures is considered to be caused by the difference between the relative flux values of ions and sputtered atoms.

  10. Analysis on fuel breeding capability of FBR core region based on minor actinide recycling doping

    DOE Office of Scientific and Technical Information (OSTI.GOV)

    Permana, Sidik; Novitrian,; Waris, Abdul

    Nuclear fuel breeding based on the capability of fuel conversion capability can be achieved by conversion ratio of some fertile materials into fissile materials during nuclear reaction processes such as main fissile materials of U-233, U-235, Pu-239 and Pu-241 and for fertile materials of Th-232, U-238, and Pu-240 as well as Pu-238. Minor actinide (MA) loading option which consists of neptunium, americium and curium will gives some additional contribution from converted MA into plutonium such as conversion Np-237 into Pu-238 and it's produced Pu-238 converts to Pu-239 via neutron capture. Increasing composition of Pu-238 can be used to produce fissilemore » material of Pu-239 as additional contribution. Trans-uranium (TRU) fuel (Mixed fuel loading of MOX (U-Pu) and MA composition) and mixed oxide (MOX) fuel compositions are analyzed for comparative analysis in order to show the effect of MA to the plutonium productions in core in term of reactor criticality condition and fuel breeding capability. In the present study, neptunium (Np) nuclide is used as a representative of MAin trans-uranium (TRU) fuel composition as Np-MOX fuel type. It was loaded into the core region gives significant contribution to reduce the excess reactivity in comparing to mixed oxide (MOX) fuel and in the same time it contributes to increase nuclear fuel breeding capability of the reactor. Neptunium fuel loading scheme in FBR core region gives significant production of Pu-238 as fertile material to absorp neutrons for reducing excess reactivity and additional contribution for fuel breeding.« less

  11. Introducing new reactivity descriptors: "Bond reactivity indices." Comparison of the new definitions and atomic reactivity indices.

    PubMed

    Sánchez-Márquez, Jesús

    2016-11-21

    A new methodology to obtain reactivity indices has been defined. This is based on reactivity functions such as the Fukui function or the dual descriptor and makes it possible to project the information of reactivity functions over molecular orbitals instead of the atoms of the molecule (atomic reactivity indices). The methodology focuses on the molecule's natural bond orbitals (bond reactivity indices) because these orbitals (with physical meaning) have the advantage of being very localized, allowing the reaction site of an electrophile or nucleophile to be determined within a very precise molecular region. This methodology gives a reactivity index for every Natural Bond Orbital (NBO), and we have verified that they have equivalent information to the reactivity functions. A representative set of molecules has been used to test the new definitions. Also, the bond reactivity index has been related with the atomic reactivity one, and complementary information has been obtained from the comparison. Finally, a new atomic reactivity index has been defined and compared with previous definitions.

  12. Covalent modification of cytochrome c by reactive metabolites of furan.

    PubMed

    Phillips, Martin B; Sullivan, Mathilde M; Villalta, Peter W; Peterson, Lisa A

    2014-01-21

    Metabolism of the hepatotoxicant furan leads to protein adduct formation in the target organ. The initial bioactivation step involves cytochrome P450-catalyzed oxidation of furan, generating cis-2-butene-1,4-dial (BDA). BDA reacts with lysine to form pyrrolin-2-one adducts. Metabolic studies indicate that BDA also reacts with glutathione (GSH) to generate 2-(S-glutathionyl)butanedial (GSH-BDA), which then reacts with lysine to form GSH-BDA-lysine cross-links. To explore the relative reactivity of these two reactive intermediates, cytochrome c was reacted with BDA in the presence and absence of GSH. As judged by MALDI-TOF mass spectrometry, BDA reacts extensively with cytochrome c to form adducts that add 66 Da to the protein, consistent with the formation of pyrrolinone adducts. Addition of GSH to the reaction mixture reduced the overall extent of adduct formation. The mass of the adducted protein was shifted by 355 Da as expected for GSH-BDA-protein cross-link formation. LC-MS/MS analysis of the tryptic digests of the alkylated protein indicated that the majority of adducts occurred on lysine residues, with BDA reacting less selectively than GSH-BDA. Both types of adducts may contribute to the toxic effects of furan.

  13. Covalent Modification of Cytochrome C by Reactive Metabolites of Furan

    PubMed Central

    Phillips, Martin B.; Sullivan, Mathilde M.; Villalta, Peter W.; Peterson, Lisa A.

    2014-01-01

    Metabolism of the hepatotoxicant furan leads to protein adduct formation in the target organ. The initial bioactivation step involves cytochrome P450-catalyzed oxidation of furan, generating cis-2-butene-1,4-dial (BDA). BDA reacts with lysine to form pyrrolin-2-one adducts. Metabolic studies indicate that BDA also reacts with glutathione (GSH) to generate 2-(S-glutathionyl)butanedial (GSH-BDA), which then reacts with lysine to form GSH-BDA-lysine cross-links. To explore the relative reactivity of these two reactive intermediates, cytochrome c was reacted with BDA in the presence and absence of GSH. As judged by MALDI-TOF mass spectrometry, BDA reacts extensively with cytochrome c to form adducts that add 66 Da to the protein, consistent with the formation of pyrrolinone adducts. Addition of GSH to the reaction mixture reduced the overall extent of adduct formation. The mass of the adducted protein was shifted by 355 Da as expected for GSH-BDA-protein cross-link formation. LC-MS/MS analysis of the tryptic digests of the alkylated protein indicated that the majority of adducts occurred on lysine residues, with BDA reacting less selectively than GSH-BDA. Both types of adducts may contribute to the toxic effects of furan. PMID:24364757

  14. Preliminary Study of Gas Cooled Fast Breeder Reactor with Heterogen Percentage of Uranium-Plutonium Carbide based fuel and 300 MWt Power

    NASA Astrophysics Data System (ADS)

    Clief Pattipawaej, Sandro; Su'ud, Zaki

    2017-01-01

    A preliminary design study of GFR with helium gas-cooled has been performed. In this study used natural uranium and plutonium results LWR waste as fuel. Fuel with a small percentage of plutonium are arranged on the inside of the core area, and the fuel with a greater percentage set on the outside of the core area. The configuration of such fuel is deliberately set to increase breeding in this part of the central core and reduce the leakage of neutrons on the outer side of the core, in order to get long-lived reactor with a small reactivity. Configuration of fuel as it is also useful to generate a peak power reactors with relatively low in both the direction of axial or radial. Optimization has been done to fuel fraction 45.0% was found that the reactor may be operating in more than 10 year time with excess reactivity less than 1%.

  15. Effect of Fuel Additives on Spray Performance of Alternative Jet Fuels

    NASA Astrophysics Data System (ADS)

    Kannaiyan, Kumaran; Sadr, Reza

    2015-11-01

    Role of alternative fuels on reducing the combustion pollutants is gaining momentum in both land and air transport. Recent studies have shown that addition of nanoscale metal particles as fuel additives to liquid fuels have a positive effect not only on their combustion performance but also in reducing the pollutant formation. However, most of those studies are still in the early stages of investigation with the addition of nanoparticles at low weight percentages. Such an addition can affect the hydrodynamic and thermo-physical properties of the fuel. In this study, the near nozzle spray performance of gas-to-liquid jet fuel with and without the addition of alumina nanoparticles are investigated at macro- and microscopic levels using optical diagnostic techniques. At macroscopic level, the addition of nanoparticles is seen to enhance the sheet breakup process when compared to that of the base fuel. Furthermore, the microscopic spray characteristics such as droplet size and velocity are also found to be affected. Although the addition of nanoscale metal particles at low weight percentages does not affect the bulk fluid properties, the atomization process is found to be affected in the near nozzle region. Funded by Qatar National Research Fund.

  16. 40 CFR 610.17 - Application format.

    Code of Federal Regulations, 2013 CFR

    2013-07-01

    ... 40 Protection of Environment 31 2013-07-01 2013-07-01 false Application format. 610.17 Section 610.17 Protection of Environment ENVIRONMENTAL PROTECTION AGENCY (CONTINUED) ENERGY POLICY FUEL ECONOMY RETROFIT DEVICES Test Procedures and Evaluation Criteria General Provisions § 610.17 Application format. (a...

  17. 40 CFR 610.17 - Application format.

    Code of Federal Regulations, 2012 CFR

    2012-07-01

    ... 40 Protection of Environment 31 2012-07-01 2012-07-01 false Application format. 610.17 Section 610.17 Protection of Environment ENVIRONMENTAL PROTECTION AGENCY (CONTINUED) ENERGY POLICY FUEL ECONOMY RETROFIT DEVICES Test Procedures and Evaluation Criteria General Provisions § 610.17 Application format. (a...

  18. 40 CFR 610.17 - Application format.

    Code of Federal Regulations, 2014 CFR

    2014-07-01

    ... 40 Protection of Environment 30 2014-07-01 2014-07-01 false Application format. 610.17 Section 610.17 Protection of Environment ENVIRONMENTAL PROTECTION AGENCY (CONTINUED) ENERGY POLICY FUEL ECONOMY RETROFIT DEVICES Test Procedures and Evaluation Criteria General Provisions § 610.17 Application format. (a...

  19. Gum and Deposit Formation in Diesel Fuels

    DTIC Science & Technology

    1988-05-15

    had several motives in this work. We want to bring our experimental work closer to the temper- ature range of practical fuel stability problems; we...w4 0 c I4 0 o r w. n I e 0 0 41 1 5 ps4 -0 cc E0 0. u 0-4z .0 w 4 ok 0 ’.04 IA,40 -4 to1 0 414 (1 c ’ %a 0D 04 Z 0 0)a 0 IT5 co -0 1 .4~~~~.~c -4 -44

  20. Constituent Redistribution in U-Zr Metallic Fuel Using the Advanced Fuel Performance Code BISON

    DOE Office of Scientific and Technical Information (OSTI.GOV)

    Galloway, Jack D.; Unal, Cetin; Matthews, Christopher

    2016-09-30

    Previous work done by Galloway, et. al. on EBR-II ternary (U-Pu-Zr) fuel constituent redistribution yielded accurate simulation data for the limited data sets of Zr redistribution. The data sets included EPMA scans of two different irradiated rods. First, T179, which was irradiated to 1.9 at% burnup, was analyzed. Second, DP16, which was irradiated to 11 at% burnup, was analyzed. One set of parameters that most accurately represented the zirconium profiles for both experiments was determined. Since the binary fuel (U-Zr) has previously been used as the driver fuel for sodium fast reactors (SFR) as well as being the likely drivermore » fuel if a new SFR is constructed, this same process has been initiated on the binary fuel form. From limited binary EPMA scans as well as other fuel characterization techniques, it has been observed that zirconium redistribution also occurs in the binary fuel, albeit at a reduced rate compared to observation in the ternary fuel, as noted by Kim et. al. While the rate of redistribution has been observed to be slower, numerous metallographs of U-Zr fuel show distinct zone formations.« less

  1. Reactive Nanoparticles Compatibilized Immiscible Polymer Blends: Synthesis of Reactive SiO2 with Long Poly(methyl methacrylate) Chains and the in Situ Formation of Janus SiO2 Nanoparticles Anchored Exclusively at the Interface.

    PubMed

    Wang, Hengti; Fu, Zhiang; Zhao, Xuewen; Li, Yongjin; Li, Jingye

    2017-04-26

    The exclusive location of compatibilizers at the interface of immiscible binary polymer blends to bridge the neighboring phases is the most important issue for fabricating desirable materials with synergistic properties. However, the positional stability of the compatibilizers at the interface remains a challenge in both scientific and technical points of view due to the intrinsic flexibility of compatibilizer molecules against aggressive processing conditions. Herein, taking the typical immiscible poly vinylidene fluoride (PVDF)/polylactic acid (PLLA) blend as an example, we demonstrate a novel approach, termed as the interfacial nanoparticle compatibilization (IPC) mechanism, to overcome the challenges by packing nanoparticles thermodynamically at the interface through melt reactive blending. Specifically, we have first synthesized nanosilica with both reactive epoxide groups and long poly(methyl methacrylate) (PMMA) tails, called reactive PMMA-graft-SiO 2 (Epoxy-MSiO 2 ), and then incorporated the Epoxy-MSiO 2 into the PVDF/PLLA (50/50, w/w) blends by melt blending. PLLA was in situ grafted onto SiO 2 by the reaction of the carboxylic acid groups with epoxide groups on the surface of SiO 2 . Therefore, the reacted SiO 2 particles were exclusively located at the interface by the formation of the Janus-faced silica hybrid nanoparticles (JSNp) with pregrafted PMMA tails entangled with PVDF molecular chains in the PVDF phase and the in situ grafted PLLA chains embedded in the PLLA phase. Such JSNp with a distinct hemisphere, functioning as compatibilizer, can not only suppress coalescence of PVDF domains by its steric repulsion but also enhance interfacial adhesion via the selective interactions with the corresponding miscible phase. The interfacial location of JSNp is very stable even under the severe shear field and annealing in the melt. This IPC mechanism paves a new possibility to use the various types of nanoparticles as both effective compatibilizers and

  2. Photographic combustion characterization of LOX/Hydrocarbon type propellants

    NASA Technical Reports Server (NTRS)

    Judd, D. C.

    1980-01-01

    One hundred twenty-seven tests were conducted over a chamber pressure range of 125-1500 psia, a fuel temperature range of -245 F to 158 F, and a fuel velocity range of 48-707 ft/sec to demonstrate the advantages and limitations of using high speed photography to identify potential combustion anomalies such as pops, fuel freezing, reactive stream separation and carbon formations. Combustion evaluation criteria were developed to guide selection of the fuels, injector elements, and operating conditions for testing. Separate criteria were developed for fuel and injector element selection and evaluation. The photographic test results indicated conclusively that injector element type and design directly influence carbon formation. Unlike spray fan, impingement elements reduce carbon formation because they induce a relatively rapid near zone fuel vaporization rate. Coherent jet impingement elements, on the other hand, exhibit increased carbon formation.

  3. Cost of reactive nitrogen release from human activities to the environment in the United States

    EPA Science Inventory

    The leakage of reactive nitrogen (N) from human activities to the environment can cause human health and ecological problems. Often these harmful effects are not reflected in the costs of food, fuel, and fiber that derive from N use. Spatial analyses of economic costs and benef...

  4. History of fast reactor fuel development

    NASA Astrophysics Data System (ADS)

    Kittel, J. H.; Frost, B. R. T.; Mustelier, J. P.; Bagley, K. Q.; Crittenden, G. C.; Van Dievoet, J.

    1993-09-01

    The first fast breeder reactors, constructed in the 1945-1960 time period, used metallic fuels composed of uranium, plutonium, or their alloys. They were chosen because most existing reactor operating experience had been obtained on metallic fuels and because they provided the highest breeding ratios. Difficulties in obtaining adequate dimensional stability in metallic fuel elements under conditions of high fuel burnup led in the 1960s to the virtual worldwide choice of ceramic fuels. Although ceramic fuels provide lower breeding performance, this objective is no longer an important consideration in most national programs. Mixed uranium and plutonium dioxide became the ceramic fuel that has received the widest use. The more advanced ceramic fuels, mixed uranium and plutonium carbides and nitrides, continue under development. More recently, metal fuel elements of improved design have joined ceramic fuels in achieving goal burnups of 15 to 20 percent. Low-swelling fuel cladding alloys have also been continuously developed to deal with the unexpected problem of void formation in stainless steels subjected to fast neutron irradiation, a phenomenon first observed in the 1960s.

  5. High burnup fuel behavior related to fission gas effects under reactivity initiated accidents (RIA) conditions

    NASA Astrophysics Data System (ADS)

    Lemoine, F.

    1997-09-01

    Specific aspects of irradiated fuel result from the increasing retention of gaseous and volatile fission products with burnup, which, under overpower conditions, can lead to solid fuel pressurization and swelling causing severe PCMI (pellet clad mechanical interaction). In order to assess the reliability of high burnup fuel under RIAs, experimental programs have been initiated which have provided important data concerning the transient fission gas behavior and the clad loading mechanisms. The importance of the rim zone is demonstrated based on three experiments resulting in clad failure at low enthalpy, which are explained by energetic considerations. High gas release in non-failure tests with low energy deposition underlines the importance of grain boundary and porosity gas. Measured final releases are strongly correlated to the microstructure evolution, depending on energy deposition, pulse width, initial and refabricated fuel rod design. Observed helium release can also increase internal pressure and gives hints to the gas behavior understanding.

  6. Coprocessed nuclear fuels containing (U, Pu) values as oxides, carbides or carbonitrides

    DOEpatents

    Lloyd, M.H.

    1981-01-09

    Method for direct coprocessing of nuclear fuels derived from a product stream of fuels reprocessing facility containing uranium, plutonium, and fission product values comprising nitrate stabilization of said stream vacuum concentration to remove water and nitrates, neutralization to form an acid deficient feed solution for the internal gelation mode of sol-gel technology, green spherule formation, recovery and treatment for loading into a fuel element by vibra packed or pellet formation technologies.

  7. Coprocessed nuclear fuels containing (U, Pu) values as oxides, carbides or carbonitrides

    DOEpatents

    Lloyd, Milton H.

    1983-01-01

    Method for direct coprocessing of nuclear fuels derived from a product stream of a fuels reprocessing facility containing uranium, plutonium, and fission product values comprising nitrate stabilization of said stream vacuum concentration to remove water and nitrates, neutralization to form an acid deficient feed solution for the internal gelation mode of sol-gel technology, green spherule formation, recovery and treatment for loading into a fuel element by vibra packed or pellet formation technologies.

  8. Fuel Fraction Analysis of 500 MWth Gas Cooled Fast Reactor with Nitride (UN-PuN) Fuel without Refueling

    NASA Astrophysics Data System (ADS)

    Dewi Syarifah, Ratna; Su'ud, Zaki; Basar, Khairul; Irwanto, Dwi

    2017-01-01

    Nuclear Power Plant (NPP) is one of candidates which can support electricity demand in the world. The Generation IV NPP has fourth main objective, i.e. sustainability, economics competitiveness, safety and reliability, and proliferation and physical protection. One of Gen-IV reactor type is Gas Cooled Fast Reactor (GFR). In this study, the analysis of fuel fraction in small GFR with nitride fuel has been done. The calculation was performed by SRAC code, both Pij and CITATION calculation. SRAC2002 system is a code system applicable to analyze the neutronics of variety reactor type. And for the data library used JENDL-3.2. The step of SRAC calculation is fuel pin calculated by Pij calculation until the data homogenized, after it homogenized we calculate core reactor. The variation of fuel fraction is 40% up to 65%. The optimum design of 500MWth GFR without refueling with 10 years burn up time reach when radius F1:F2:F3 = 50cm:30cm:30cm and height F1:F2:F3 = 50cm:40cm:30cm, variation percentage Plutonium in F1:F2:F3 = 7%:10%:13%. The optimum fuel fraction is 41% with addition 2% Plutonium weapon grade mix in the fuel. The excess reactivity value in this case 1.848% and the k-eff value is 1.01883. The high burn up reached when the fuel fraction is low. In this study 41% fuel fraction produce faster fissile fuel, so it has highest burn-up level than the other fuel fraction.

  9. Catalysts and methods for converting carbonaceous materials to fuels

    DOE Office of Scientific and Technical Information (OSTI.GOV)

    Hensley, Jesse; Ruddy, Daniel A.; Schaidle, Joshua A.

    Catalysts and processes designed to convert DME and/or methanol and hydrogen (H.sub.2) to desirable liquid fuels are described. These catalysts produce the fuels efficiently and with a high selectivity and yield, and reduce the formation of aromatic hydrocarbons by incorporating H.sub.2 into the products. Also described are process methods to further upgrade these fuels to higher molecular weight liquid fuel mixtures, which have physical properties comparable with current commercially used liquid fuels.

  10. Solid oxide fuel cells fueled with reducible oxides

    DOE Office of Scientific and Technical Information (OSTI.GOV)

    Chuang, Steven S.; Fan, Liang Shih

    A direct-electrochemical-oxidation fuel cell for generating electrical energy includes a cathode provided with an electrochemical-reduction catalyst that promotes formation of oxygen ions from an oxygen-containing source at the cathode, a solid-state reduced metal, a solid-state anode provided with an electrochemical-oxidation catalyst that promotes direct electrochemical oxidation of the solid-state reduced metal in the presence of the oxygen ions to produce electrical energy, and an electrolyte disposed to transmit the oxygen ions from the cathode to the solid-state anode. A method of operating a solid oxide fuel cell includes providing a direct-electrochemical-oxidation fuel cell comprising a solid-state reduced metal, oxidizing themore » solid-state reduced metal in the presence of oxygen ions through direct-electrochemical-oxidation to obtain a solid-state reducible metal oxide, and reducing the solid-state reducible metal oxide to obtain the solid-state reduced metal.« less

  11. Sleep promotes branch-specific formation of dendritic spines after learning

    PubMed Central

    Yang, Guang; Lai, Cora Sau Wan; Cichon, Joseph; Ma, Lei; Li, Wei; Gan, Wen-Biao

    2015-01-01

    How sleep helps learning and memory remains unknown. We report in mouse motor cortex that sleep after motor learning promotes the formation of postsynaptic dendritic spines on a subset of branches of individual layer V pyramidal neurons. New spines are formed on different sets of dendritic branches in response to different learning tasks and are protected from being eliminated when multiple tasks are learned. Neurons activated during learning of a motor task are reactivated during subsequent non-rapid eye movement sleep, and disrupting this neuronal reactivation prevents branch-specific spine formation. These findings indicate that sleep has a key role in promoting learning-dependent synapse formation and maintenance on selected dendritic branches, which contribute to memory storage. PMID:24904169

  12. Modeling reactive nitrogen in North America: recent ...

    EPA Pesticide Factsheets

    Nitrogen is an essential building block of all proteins and thus an essential nutrient for all life. The bulk of nitrogen in the environment is tightly bound as non-reactive N2. Reactive nitrogen, which is naturally produced via enzymatic reactions, forest fires and lightning, is continually recycled and cascades through air, water, and soil media (Galloway et al., 2003). Human activity has perturbed this cycle through the combustion of fossil fuels and synthesis of fertilizers. The anthropogenic contribution to this cycle is now larger than natural sources in the United States and globally (Galloway et al., 2004). Reactive nitrogen enters the biosphere primarily from emissions of oxidized nitrogen to the atmosphere from combustion sources, as inorganic fertilizer applied to crops as reduced nitrogen fixed from atmospheric N2 through the Haber-Bosch process, as organic fertilizers such as manure, and through the cultivation of nitrogen fixing crops (Canfield et al., 2010). Both the United States (US) Clean Air Act and the Canadian Environmental Protection Act (CEPA) have substantially reduced the emissions of oxidized nitrogen in North America through NOx controls on smokestacks and exhaust pipes (Sickles and Shadwick, 2015; AQA, 2015). However, reduced nitrogen emissions have remained constant during the last few decades of emission reductions. The National Exposure Research Laboratory’s Atmospheric Modeling Division (AMAD) c

  13. Novel Accident-Tolerant Fuel Meat and Cladding

    DOE Office of Scientific and Technical Information (OSTI.GOV)

    Robert D. Mariani; Pavel G Medvedev; Douglas L Porter

    A novel accident-tolerant fuel meat and cladding are here proposed. The fuel meat design incorporates annular fuel with inserts and discs that are fabricated from a material having high thermal conductivity, for example niobium. The inserts are rods or tubes. Discs separate the fuel pellets. Using the BISON fuel performance code it was found that the peak fuel temperature can be lowered by more than 600 degrees C for one set of conditions with niobium metal as the thermal conductor. In addition to improved safety margin, several advantages are expected from the lower temperature such as decreased fission gas releasemore » and fuel cracking. Advantages and disadvantages are discussed. An enrichment of only 7.5% fully compensates the lost reactivity of the displaced UO2. Slightly higher enrichments, such as 9%, allow uprates and increased burnups to offset the initial costs for retooling. The design has applications for fast reactors and transuranic burning, which may accelerate its development. A zirconium silicide coating is also described for accident tolerant applications. A self-limiting degradation behavior for this coating is expected to produce a glassy, self-healing layer that becomes more protective at elevated temperature, with some similarities to MoSi2 and other silicides. Both the fuel and coating may benefit from the existing technology infrastructure and the associated wide expertise for a more rapid development in comparison to other, more novel fuels and cladding.« less

  14. Comparison of DNA-Reactive Metabolites from Nitrosamine and Styrene Using Voltammetric DNA/Microsomes Sensors

    PubMed Central

    Krishnan, Sadagopan; Bajrami, Besnik; Mani, Vigneshwaran; Pan, Shenmin; Rusling, James F.

    2012-01-01

    Voltammetric sensors made with films of polyions, double-stranded DNA and liver microsomes adsorbed layer-by-layer onto pyrolytic graphite electrodes were evaluated for reactive metabolite screening. This approach features simple, inexpensive screening without enzyme purification for applications in drug or environmental chemical development. Cytochrome P450 enzymes (CYPs) in the liver microsomes were activated by an NADPH regenerating system or by electrolysis to metabolize model carcinogenic compounds nitrosamine and styrene. Reactive metabolites formed in the films were trapped as adducts with nucleobases on DNA. The DNA damage was detected by square-wave voltammetry (SWV) using Ru(bpy)32+ as a DNA-oxidation catalyst. These sensors showed a larger rate of increase in signal vs. reaction time for a highly toxic nitrosamine than for the moderately toxic styrene due to more rapid reactive metabolite-DNA adduct formation. Results were consistent with reported in vivo TD50 data for the formation of liver tumors in rats. Analogous polyion/ liver microsome films prepared on 500 nm silica nanoparticles (nanoreactors) and reacted with nitrosamine or styrene, provided LC-MS or GC analyses of metabolite formation rates that correlated well with sensor response. PMID:23100998

  15. First OH reactivity measurements in Harvard Forest

    NASA Astrophysics Data System (ADS)

    Herdlinger-Blatt, I. S.; Martin, S. T.; Hansel, A.; McKinney, K. A.

    2013-12-01

    The OH reactivity provides critical insight into the HOx budget under actual atmospheric conditions, and has implications for the production of ozone and the formation of secondary organic material. Previous studies have indicated that the OH reactivity measured at field sites often exceeds model estimations, but current experiments remain inconclusive about the origin of the discrepancy between the modeled and measured OH reactivity (Lou et al., 2010). As of now there are only a limited number of atmospheric studies of total OH reactivity available, so to improve understanding of the OH reactivity more studies are needed. The first OH reactivity measurements in the northeastern United States are being performed during the summer of 2013 at Harvard Forest. Harvard forest, is located about 100 km west of the Boston metropolitan area, is one of the most intensively studied forests in North America. The main biogenic VOC emitted from Harvard Forest is isoprene followed by monoterpenes and methanol. Sampling for the OH reactivity measurements will be conducted from a 30m tall meteorological tower at the Harvard Forest site. The air is drawn into a reaction cell where the OH reactivity is determined using the Comparative Reactivity Method (Sinha et al., 2008) employing a High-Sensitivity Proton Transfer Reaction Mass Spectrometer (Lindinger et al., 1998, Hansel et al., 1998). In addition to the OH reactivity measurements, the most abundant compounds present in the air sample will be quantified using PTR-MS. The quantification of these compounds is needed to compare the theoretical calculated OH reactivity with the measured OH reactivity data. The measurements will be used to evaluate our understanding of the OH budget at Harvard Forest. References: A. Hansel, A. Jordan, C. Warneke, R. Holzinger, and W. Lindinger.: Improved Detection Limit of the Proton-transfer Reaction Mass Spectrometer: On-line Monitoring of Volatile Organic Compounds at Mixing Ratios of a Few PPTV

  16. Effects of Fuel Cell Anode Recycle on Catalytic Fuel Reforming

    DOE Office of Scientific and Technical Information (OSTI.GOV)

    Shekhawat, Dushyant; Berry, D.A.; Gardner, T.H.

    2007-06-01

    The presence of steam in the reactant gas of a catalytic fuel reformer decreases the formation of carbon, minimizing catalyst deactivation. However, the operation of the reformer without supplemental water reduces the size, weight, cost, and overall complexity of the system. The work presented here examines experimentally two options for adding steam to the reformer inlet: (I) recycle of a simulated fuel cell anode exit gas (comprised of mainly CO2, H2O, and N2 and some H2 and CO) and (II) recycle of the reformate from the reformer exit back to the reformer inlet (mainly comprised of H2, CO, and N2more » and some H2O and CO2). As expected, anode gas recycle reduced the carbon formation and increased the hydrogen concentration in the reformate. However, reformer recycle was not as effective due principally to the lower water content in the reformate compared to the anode gas. In fact, reformate recycle showed slightly increased carbon formation compared to no recycle. In an attempt to understand the effects of individual gases in these recycle streams (H2, CO, CO2, N2, and H2O), individual gas species were independently introduced to the reformer feed.« less

  17. Effects of fuel cell anode recycle on catalytic fuel reforming

    DOE Office of Scientific and Technical Information (OSTI.GOV)

    shekhawat, D.; Berry, D.; Gardner, T.

    2007-01-01

    The presence of steam in the reactant gas of a catalytic fuel reformer decreases the formation of carbon, minimizing catalyst deactivation. However, the operation of the reformer without supplemental water reduces the size, weight, cost, and overall complexity of the system. The work presented here examines experimentally two options for adding steam to the reformer inlet: (I) recycle of a simulated fuel cell anode exit gas (comprised of mainly CO2, H2O, and N2 and some H2 and CO) and (II) recycle of the reformate from the reformer exit back to the reformer inlet (mainly comprised of H2, CO, and N2more » and some H2O and CO2). As expected, anode gas recycle reduced the carbon formation and increased the hydrogen concentration in the reformate. However, reformer recycle was not as effective due principally to the lower water content in the reformate compared to the anode gas. In fact, reformate recycle showed slightly increased carbon formation compared to no recycle. In an attempt to understand the effects of individual gases in these recycle streams (H2, CO, CO2, N2, and H2O), individual gas species were independently introduced to the reformer feed. Published by Elsevier B.V.« less

  18. Dynamics of Reactive Microbial Hotspots in Concentration Gradient.

    NASA Astrophysics Data System (ADS)

    Hubert, A.; Farasin, J.; Tabuteau, H.; Dufresne, A.; Meheust, Y.; Le Borgne, T.

    2017-12-01

    In subsurface environments, bacteria play a major role in controlling the kinetics of a broad range of biogeochemical reactions. In such environments, nutrients fluxes and solute concentrations needed for bacteria metabolism may be highly variable in space and intermittent in time. This can lead to the formation of reactive hotspots where and when conditions are favorable to particular microorganisms, hence inducing biogeochemical reaction kinetics that differ significantly from those measured in homogeneous model environments. To investigate the impact of chemical gradients on the spatial structure and temporal dynamics of subsurface microorganism populations, we develop microfluidic cells allowing for a precise control of flow and chemical gradient conditions, as well as quantitative monitoring of the bacteria's spatial distribution and biofilm development. Using the non-motile Escherichia coli JW1908-1 strain and Gallionella capsiferriformans ES-2 as model organisms, we investigate the behavior and development of bacteria over a range of single and double concentration gradients in the concentrations of nutrients, electron donors and electron acceptors. We measure bacterial activity and population growth locally in precisely known hydrodynamic and chemical environments. This approach allows time-resolved monitoring of the location and intensity of reactive hotspots in micromodels as a function of the flow and chemical gradient conditions. We compare reactive microbial hotspot dynamics in our micromodels to classic growth laws and well-known growth parameters for the laboratory model bacteria Escherichia coli.We also discuss consequences for the formation and temporal dynamics of biofilms in the subsurface.

  19. Influence of reactive fillers on concrete corrosion resistance

    NASA Astrophysics Data System (ADS)

    Rakhimbayev, Sh M.; Tolypina, N. M.; Khakhaleva, E. N.

    2018-03-01

    Contact surfaces represent the weakest link in a conglomerate structure of materials. They ensure the diffusion of aggressive agents inside the material. To reduce the conductivity of contact surfaces it is advisable to use reactive fillers, which interact with cement matrix via certain mechanisms, which in turn, reduces the permeability of the contact layer and fosters durability of products. The interaction of reactive fillers with calcium hydroxide of a concrete liquid phase in a contact area leads to the formation of hydrated calcium silicates of a tobermorite group. Such compounds, being settled in pores and capillaries of a product, colmatage and clog them to some extent thus leading to diffusion delay (inhibition) with regard to aggressive components of external media inside porous material, which in turn inhibits the corrosion rate. The authors studied and compared the corrosion of cement concrete with a standard filler (quartz sand) and a reactive filler (perlite and urtit). The experiments confirmed the positive influence of active fillers on concrete corrosion resistance.

  20. Impact of reformulated fuels on motor vehicle emissions

    NASA Astrophysics Data System (ADS)

    Kirchstetter, Thomas

    Motor vehicles continue to be an important source of air pollution. Increased vehicle travel and degradation of emission control systems have offset some of the effects of increasingly stringent emission standards and use of control technologies. A relatively new air pollution control strategy is the reformulation of motor vehicle fuels, both gasoline and diesel, to make them cleaner- burning. Field experiments in a heavily traveled northern California roadway tunnel revealed that use of oxygenated gasoline reduced on-road emissions of carbon monoxide (CO) and volatile organic compounds (VOC) by 23 +/- 6% and 19 +/- 8%, respectively, while oxides of nitrogen (NOx) emissions were not significantly affected. The introduction of reformulated gasoline (RFG) in California led to large changes in gasoline composition including decreases in alkene, aromatic, benzene, and sulfur contents, and an increase in oxygen content. The combined effects of RFG and fleet turnover between summers 1994 and 1997 were decreases in on-road vehicle exhaust emissions of CO, non-methane VOC, and NOx by 31 +/- 5, 43 +/- 8, and 18 +/- 4%, respectively. Although it was difficult to separate the fleet turnover and RFG contributions to these changes, it was clear that the effect of RFG was greater for VOC than for NOx. The RFG effect on exhaust emissions of benzene was a 30-40% reduction. Use of RFG reduced the reactivity of liquid gasoline and gasoline headspace vapors by 23 and 19%, respectively. Increased use of methyl tert-butyl ether in gasoline led to increased concentrations of highly reactive formaldehyde and isobutene in vehicle exhaust. As a result, RFG reduced the reactivity of exhaust emissions by only about 5%. Per unit mass of fuel burned, heavy-duty diesel trucks emit about 25 times more fine particle mass and 15-20 times the number of fine particles compared to light-duty vehicles. Exhaust fine particle emissions from heavy-duty diesels contain more black carbon than particulate

  1. Controlling material reactivity using architecture

    NASA Astrophysics Data System (ADS)

    Sullivan, Kyle; Zhu, Cheng; Duoss, Eric; Durban, Matt; Gash, Alex; Golobic, Alexandra; Grapes, Michael; Kuntz, Joshua; Spadaccini, Christopher; Kolesky, David; Lewis, Jennifer; LLNL Team; Harvard University Team

    Thermites are mixtures of a metal fuel with a metal oxide as the oxidizer. The reactivity of such materials can be tailored through careful selection of a variety of parameters, and can range from very slow burns to rapid deflagrations when using nanoparticles. However, in some cases diminishing returns have been observed as the particle size is reduced. 3D printing is a rapidly emerging field, which offers the capability of printing architected parts; for example parts with controlled internal feature sizes and geometries. In this work, we investigated whether such features could be utilized to gain additional control of the reactivity. This talk introduces several new methods for preparing thermite samples with controlled architectures using direct 3D printing, deposition, and/or casting. Additionally, we demonstrate that 3D printing can be used to tailor the convective and/or advective energy transport during a deflagration, thus enhancing or retarding the reaction. The results are promising in that they give researchers additional ways to control the energy release rate, without defaulting to the classic approach of changing the formulation. This work was performed under the auspices of the U. S. Department of Energy by Lawrence Livermore National Laboratory under Contract DE-AC52-07NA27344. LLNL-ABS-708525.

  2. A novel biochemical platform for fuels and chemicals production from cellulosic biomass

    USDA-ARS?s Scientific Manuscript database

    The conventional biochemical platform for biofuels production featuring enzymatic hydrolysis involves five key steps: pretreatment, cellulase production, enzymatic hydrolysis, fermentation, and product recovery. Sugars are produced as reactive intermediates for subsequent fermentation to fuels and c...

  3. Compact Fuel Element Environment Test

    NASA Technical Reports Server (NTRS)

    Bradley, D. E.; Mireles, O. R.; Hickman, R. R.; Broadway, J. W.

    2012-01-01

    Deep space missions with large payloads require high specific impulse (I(sub sp)) and relatively high thrust to achieve mission goals in reasonable time frames. Conventional, storable propellants produce average I(sub sp). Nuclear thermal rockets (NTRs) capable of high I(sub sp) thrust have been proposed. NTR employs heat produced by fission reaction to heat and therefore accelerate hydrogen, which is then forced through a rocket nozzle providing thrust. Fuel element temperatures are very high (up to 3,000 K) and hydrogen is highly reactive with most materials at high temperatures. Data covering the effects of high-temperature hydrogen exposure on fuel elements are limited. The primary concern is the mechanical failure of fuel elements that employ high melting point metals, ceramics, or a combination (cermet) as a structural matrix into which the nuclear fuel is distributed. It is not necessary to include fissile material in test samples intended to explore high-temperature hydrogen exposure of the structural support matrices. A small-scale test bed designed to heat fuel element samples via noncontact radio frequency heating and expose samples to hydrogen for typical mission durations has been developed to assist in optimal material and manufacturing process selection without employing fissile material. This Technical Memorandum details the test bed design and results of testing conducted to date.

  4. MODELING THE ATMOSPHERE FORMATION OF REACTIVE MERCURY IN FLORIDA AND THE GREAT LAKES

    EPA Science Inventory

    Reactive mercury in the troposphere is affected by a complex mix of local emissions, global-scale transport, and gas and aqueous-phase chemistry. Here, we describe a modified version of the EPA model for urban/regional air quality (CMAQ) to include the chemistry of mercury, and m...

  5. Formation of Reactive Intermediates, Color, and Antioxidant Activity in the Maillard Reaction of Maltose in Comparison to d-Glucose.

    PubMed

    Kanzler, Clemens; Schestkowa, Helena; Haase, Paul T; Kroh, Lothar W

    2017-10-11

    In this study, the Maillard reaction of maltose and d-glucose in the presence of l-alanine was investigated in aqueous solution at 130 °C and pH 5. The reactivity of both carbohydrates was compared in regards of their degradation, browning, and antioxidant activity. In order to identify relevant differences in the reaction pathways, the concentrations of selected intermediates such as 1,2-dicarbonyl compounds, furans, furanones, and pyranones were determined. It was found, that the degradation of maltose predominantly yields 1,2-dicarbonyls that still carry a glucosyl moiety and thus subsequent reactions to HMF, furfural, and 2-acetylfuran are favored due to the elimination of d-glucose, which is an excellent leaving group in aqueous solution. Consequently, higher amounts of these heterocycles are formed from maltose. 3-deoxyglucosone and 3-deoxygalactosone represent the only relevant C 6 -1,2-dicarbonyls in maltose incubations and are produced in nearly equimolar amounts during the first 60 min of heating as byproducts of the HMF formation.

  6. Characteristics and reactivity of volatile organic compounds from non-coal emission sources in China

    NASA Astrophysics Data System (ADS)

    He, Qiusheng; Yan, Yulong; Li, Hongyan; Zhang, Yiqiang; Chen, Laiguo; Wang, Yuhang

    2015-08-01

    Volatile organic compounds (VOCs) were sampled from non-coal emission sources including fuel refueling, solvent use, industrial and commercial activities in China, and 62 target species were determined by gas chromatography-mass selective detector (GC-MSD). Based on the results, source profiles were developed and discussed from the aspects of composition characteristics, potential tracers, BTEX (benzene, toluene, ethylbenzene and xylene) diagnostic ratios and chemical reactivity. Compared with vehicle exhausts and liquid fuels, the major components in refueling emissions of liquefied petroleum gas (LPG), gasoline and diesel were alkenes and alkanes. Oppositely, aromatics were the most abundant group in emissions from auto-painting, book binding and plastic producing. Three groups contributed nearly equally in printing and commercial cooking emissions. Acetone in medical producing, chloroform and tetrachloroethylene in wet- and dry-cleaning, as well as TEX in plastic producing etc. were good tracers for the respective sources. BTEX ratios showed that some but not all VOCs sources could be distinguished by B/T, B/E and B/X ratios, while T/E, T/X and E/X ratios were not suitable as diagnostic indicators of different sources. The following reactivity analysis indicated that emissions from gasoline refueling, commercial cooking, auto painting and plastic producing had high atmospheric reactivity, and should be controlled emphatically to prevent ozone pollution, especially when there were large amounts of emissions for them.

  7. Catalysts and methods for converting carbonaceous materials to fuels

    DOE Office of Scientific and Technical Information (OSTI.GOV)

    Hensley, Jesse; Ruddy, Daniel A.; Schaidle, Joshua A.

    This disclosure relates to catalysts and processes designed to convert DME and/or methanol and hydrogen (H.sub.2) to desirable liquid fuels. These catalysts produce the fuels efficiently and with a high selectivity and yield, and reduce the formation of aromatic hydrocarbons by incorporating H.sub.2 into the products. This disclosure also describes process methods to further upgrade these fuels to higher molecular weight liquid fuel mixtures, which have physical properties comparable with current commercially used liquid fuels.

  8. Reactive nitrogen partitioning and its relationship to winter ozone events in Utah

    NASA Astrophysics Data System (ADS)

    Wild, R. J.; Edwards, P. M.; Bates, T. S.; Cohen, R. C.; de Gouw, J. A.; Dubé, W. P.; Gilman, J. B.; Holloway, J.; Kercher, J.; Koss, A. R.; Lee, L.; Lerner, B. M.; McLaren, R.; Quinn, P. K.; Roberts, J. M.; Stutz, J.; Thornton, J. A.; Veres, P. R.; Warneke, C.; Williams, E.; Young, C. J.; Yuan, B.; Zarzana, K. J.; Brown, S. S.

    2016-01-01

    High wintertime ozone levels have been observed in the Uintah Basin, Utah, a sparsely populated rural region with intensive oil and gas operations. The reactive nitrogen budget plays an important role in tropospheric ozone formation. Measurements were taken during three field campaigns in the winters of 2012, 2013 and 2014, which experienced varying climatic conditions. Average concentrations of ozone and total reactive nitrogen were observed to be 2.5 times higher in 2013 than 2012, with 2014 an intermediate year in most respects. However, photochemically active NOx (NO + NO2) remained remarkably similar all three years. Nitric acid comprised roughly half of NOz ( ≡ NOy - NOx) in 2013, with nighttime nitric acid formation through heterogeneous uptake of N2O5 contributing approximately 6 times more than daytime formation. In 2012, N2O5 and ClNO2 were larger components of NOz relative to HNO3. The nighttime N2O5 lifetime between the high-ozone year 2013 and the low-ozone year 2012 is lower by a factor of 2.6, and much of this is due to higher aerosol surface area in the high-ozone year of 2013. A box-model simulation supports the importance of nighttime chemistry on the reactive nitrogen budget, showing a large sensitivity of NOx and ozone concentrations to nighttime processes.

  9. Experimental investigation of the auto-ignition characteristics of oxygenated reference fuel compounds

    NASA Astrophysics Data System (ADS)

    Walton, Stephen Michael

    The increased use of biofuels presents an opportunity to improve combustion performance while simultaneously reducing greenhouse gases and pollutant emissions. This work focused on improving the fundamental understanding of the auto-ignition chemistry of oxygenated reference fuel compounds. A systematic study of the effects of ester structure on ignition chemistry was performed using the University of Michigan Rapid Compression Facility. The ignition properties of the ester compounds were investigated over a broad range of pressures (P=5-20 atm) and temperatures (T=850-1150 K) which are directly relevant to advanced combustion engine strategies. Ignition delay times for five esters were determined using the RCF. The esters were selected to systematically consider the chemical structure of the compounds. Three esters were saturated: methyl butanoate, butyl methanoate, and ethyl propanoate; and two were unsaturated: methyl crotonate and methyl trans-3-hexenoate. The unsaturated esters were more reactive than their saturated counterparts, with the largest unsaturated ester, methyl trans-3-hexenoate having the highest reactivity. Two isomers of the saturated esters, butyl methanoate and ethyl propanoate, were more reactive than the isomer methyl butanoate. The results are explained if we assume that butyl methanoate and ethyl propanoate form intermediate ring structures which decompose more rapidly than esters such as methyl butanoate, which do not form ring structures. Modeling studies of the reaction chemistry were conducted for methyl butanoate and ethyl propanoate, for which detailed mechanisms were available in the literature. The new experimental data indicated that literature rate coefficients for some of the methyl butanoate/HO2 reactions were too fast. Modifying these within the theoretical uncertainties for the reaction rates, led to excellent agreement between the model predictions and the experimental data. Comparison of the modeling results with the

  10. Fusion yield rate recovery by escaping hot-spot fast ions in the neighboring fuel layer

    NASA Astrophysics Data System (ADS)

    Tang, Xian-Zhu; McDevitt, C. J.; Guo, Zehua; Berk, H. L.

    2014-02-01

    Free-streaming loss by fast ions can deplete the tail population in the hot spot of an inertial confinement fusion (ICF) target. Escaping fast ions in the neighboring fuel layer of a cryogenic target can produce a surplus of fast ions locally. In contrast to the Knudsen layer effect that reduces hot-spot fusion reactivity due to tail ion depletion, the inverse Knudsen layer effect increases fusion reactivity in the neighboring fuel layer. In the case of a burning ICF target in the presence of significant hydrodynamic mix which aggravates the Knudsen layer effect, the yield recovery largely compensates for the yield reduction. For mix-dominated sub-ignition targets, the yield reduction is the dominant process.

  11. Review of alternative fuels data bases

    NASA Technical Reports Server (NTRS)

    Harsha, P. T.; Edelman, R. B.

    1983-01-01

    Based on an analysis of the interaction of fuel physical and chemical properties with combustion characteristics and indicators, a ranking of the importance of various fuel properties with respect to the combustion process was established. This ranking was used to define a suite of specific experiments whose objective is the development of an alternative fuels design data base. Combustion characteristics and indicators examined include droplet and spray formation, droplet vaporization and burning, ignition and flame stabilization, flame temperature, laminar flame speed, combustion completion, soot emissions, NOx and SOx emissions, and the fuels' thermal and oxidative stability and fouling and corrosion characteristics. Key fuel property data is found to include composition, thermochemical data, chemical kinetic rate information, and certain physical properties.

  12. Formation of ferrihydrite and associated iron corrosion products in permeable reactive barriers of zero-valent iron.

    PubMed

    Furukawa, Yoko; Kim, Jin-Wook; Watkins, Janet; Wilkin, Richard T

    2002-12-15

    Ferrihydrite, which is known to form in the presence of oxygen and to be stabilized by the adsorption of Si, PO4 and SO4, is ubiquitous in the fine-grained fractions of permeable reactive barrier (PRB) samples from the U.S. Coast Guard Support Center (Elizabeth City, NC) and the Denver Federal Center (Lakewood, CO) studied by high-resolution transmission electron microscopy and selected area electron diffraction. The concurrent energy-dispersive X-ray data indicate a strong association between ferrihydrite and metals such as Si, Ca, and Cr. Magnetite, green rust 1, aragonite, calcite, mackinawite, greigite and lepidocrocite were also present, indicative of a geochemical environment that is temporally and spatially heterogeneous. Whereas magnetite, which is known to form due to anaerobic Fe0 corrosion, passivates the Fe0 surface, ferrihydrite precipitation occurs away from the immediate Fe0 surface, forming small (<0.1 microm) discrete clusters. Consequently, Fe0-PRBs may remain effective for a longer period of time in slightly oxidized groundwater systems where ferrihydrite formation occurs compared to oxygen-depleted systems where magnetite passivation occurs. The ubiquitous presence of ferrihydrite suggests that the use of Fe0-PRBs may be extended to applications that require contaminant adsorption rather than, or in addition to, redox-promoted contaminant degradation.

  13. Reactive impinging-flow technique for polymer-electrolyte-fuel-cell electrode-defect detection

    NASA Astrophysics Data System (ADS)

    Zenyuk, Iryna V.; Englund, Nicholas; Bender, Guido; Weber, Adam Z.; Ulsh, Michael

    2016-11-01

    Reactive impinging flow (RIF) is a novel quality-control method for defect detection (i.e., reduction in Pt catalyst loading) in gas-diffusion electrodes (GDEs) on weblines. The technique uses infrared thermography to detect temperature of a nonflammable (<4% H2) reactive mixture of H2/O2 in N2 impinging and reacting on a Pt catalytic surface. In this paper, different GDE size defects (with catalyst-loading reductions of 25, 50, and 100%) are detected at various webline speeds (3.048 and 9.144 m min-1) and gas flowrates (32.5 or 50 standard L min-1). Furthermore, a model is developed and validated for the technique, and it is subsequently used to optimize operating conditions and explore the applicability of the technique to a range of defects. The model suggests that increased detection can be achieved by recting more of the impinging H2, which can be accomplished by placing blocking substrates on the top, bottom, or both of the GDE; placing a substrate on both results in a factor of four increase in the temperature differential, which is needed for smaller defect detection. Overall, the RIF technique is shown to be a promising route for in-line, high-speed, large-area detection of GDE defects on moving weblines.

  14. Multidisciplinary Simulation of Graphite-Composite and Cermet Fuel Elements for NTP Point of Departure Designs

    NASA Technical Reports Server (NTRS)

    Stewart, Mark E.; Schnitzler, Bruce G.

    2015-01-01

    This paper compares the expected performance of two Nuclear Thermal Propulsion fuel types. High fidelity, fluid/thermal/structural + neutronic simulations help predict the performance of graphite-composite and cermet fuel types from point of departure engine designs from the Nuclear Thermal Propulsion project. Materials and nuclear reactivity issues are reviewed for each fuel type. Thermal/structural simulations predict thermal stresses in the fuel and thermal expansion mis-match stresses in the coatings. Fluid/thermal/structural/neutronic simulations provide predictions for full fuel elements. Although NTP engines will utilize many existing chemical engine components and technologies, nuclear fuel elements are a less developed engine component and introduce design uncertainty. Consequently, these fuel element simulations provide important insights into NTP engine performance.

  15. Cue-independent memory impairment by reactivation-coupled interference in human declarative memory.

    PubMed

    Zhu, Zijian; Wang, Yingying; Cao, Zhijun; Chen, Biqing; Cai, Huaqian; Wu, Yanhong; Rao, Yi

    2016-10-01

    Memory is a dynamic process. While memory becomes increasingly resistant to interference after consolidation, a brief reactivation renders it unstable again. Previous studies have shown that interference, when applied upon reactivation, impairs the consolidated memory, presumably by disrupting the reconsolidation of the memory. However, attempts have failed in disrupting human declarative memory, raising a question about whether declarative memory becomes unstable upon reactivation. Here, we used a double-cue/one-target paradigm, which associated the same target with two different cues in initial memory formation. Only one cue/target association was later reactivated and treated with behavioral interference. Our results showed, for the first time, that reactivation-coupled interference caused cue-independent memory impairment that generalized to other cues associated with the memory. Critically, such memory impairment appeared immediately after interference, before the reconsolidation process was completed, suggesting that common manipulations of reactivation-coupled interference procedures might disrupt other processes in addition to the reconsolidation process in human declarative memory. Copyright © 2016. Published by Elsevier B.V.

  16. Evaluating Ionic Liquids as Hypergolic Fuels: Exploring Reactivity from Molecular Structure

    DTIC Science & Technology

    2014-01-27

    obtained , some caution is required since 14 of these exhibited no observable melting or glass transitions which might be a result of the hygroscopic...Fuels 01-27-14 23 short ignition delays and lower viscosities ( alkene ) or higher densities (N-N) should be considered further. The development of...Experimental Materials and Methods . 1-methylimidazole, 3-picoline, pyridine, 1-chlorobutane, 1- bromobutane, allyl chloride, and 1-chloro-2

  17. Synthesis of metal-polymer nanocomposites for fuel applications

    NASA Astrophysics Data System (ADS)

    Pontes Lima, Ricardo Jose

    Metal particles have long been of interest as fuel and fuel additives for propellants and explosives because their high-density energy. In general, their volumetric energy density is higher as compared to conventional hydrocarbon-based fuel. This advantage is clearly beneficial for volume-limited rocket propulsion systems, in which the most important parameter is the density-based specific impulse. It is widely known that the reactivity of metal particles increases when particle size decreases. Significant improvements in combustion behaviors of propellant have been attributed to the use of nanosize metal particles, for example faster burning rates and shorter ignition delay time. For this reason the application of nanosize particles as fuel could be preferable than large particles. However, several difficulties limit the use of ultrafine particles in fuel applications and propellants. Most of them are attributed to the oxide layer formation on the particles that prevents good combustion performance. In boron applications, practical difficulties such as poor ignition and combustion performance, have so far limited extensive use of boron for fuel applications. Indications are that application of non-oxide coatings on particles protects them against premature oxidation and enhances their combustion properties. A number of methods have been proposed to coat metal particles with a variety of organic compounds or other metals. Common applications provides coatings of saturated hydrocarbons or fatty acids, such as oleic acid as a means to passivation the particles. Recently, high-energy ball milling, in combination with chemical reactions, was applied to fabricate nanostructured metal particles coated with organic compounds. One of the advantages of this technique is that the passivation be integrated into the production of particles as a single step. For example, the reactive milling of boron in oleic acid solution showed an improved reactivity of as-milled powders

  18. Photo-switchable microbial fuel-cells.

    PubMed

    Schlesinger, Orr; Dandela, Rambabu; Bhagat, Ashok; Adepu, Raju; Meijler, Michael M; Xia, Lin; Alfonta, Lital

    2018-05-01

    Regulation of Bio-systems in a clean, simple, and efficient way is important for the design of smart bio-interfaces and bioelectronic devices. Light as a non-invasive mean to control the activity of a protein enables spatial and temporal control far superior to other chemical and physical methods. The ability to regulate the activity of a catalytic enzyme in a biofuel-cell reduces the waste of resources and energy and turns the fuel-cell into a smart and more efficient device for power generation. Here we present a microbial-fuel-cell based on a surface displayed, photo-switchable alcohol dehydrogenase. The enzyme was modified near the active site using non-canonical amino acids and a small photo-reactive molecule, which enables reversible control of enzymatic activity. Depending on the modification site, the enzyme exhibits reversible behavior upon irradiation with UV and visible light, in both biochemical, and electrochemical assays. The change observed in power output of a microbial fuel cell utilizing the modified enzyme was almost five-fold, between inactive and active states. © 2018 Wiley Periodicals, Inc.

  19. Microstructural Characterization of High Burn-up Mixed Oxide Fast Reactor Fuel

    DOE Office of Scientific and Technical Information (OSTI.GOV)

    Melissa C. Teague; Brian P. Gorman; Steven L. Hayes

    2013-10-01

    High burn-up mixed oxide fuel with local burn-ups of 3.4–23.7% FIMA (fissions per initial metal atom) were destructively examined as part of a research project to understand the performance of oxide fuel at extreme burn-ups. Optical metallography of fuel cross-sections measured the fuel-to-cladding gap, clad thickness, and central void evolution in the samples. The fuel-to-cladding gap closed significantly in samples with burn-ups below 7–9% FIMA. Samples with burn-ups in excess of 7–9% FIMA had a reopening of the fuel-to-cladding gap and evidence of joint oxide-gain (JOG) formation. Signs of axial fuel migration to the top of the fuel column weremore » observed in the fuel pin with a peak burn-up of 23.7% FIMA. Additionally, high burn-up structure (HBS) was observed in the two highest burn-up samples (23.7% and 21.3% FIMA). The HBS layers were found to be 3–5 times thicker than the layers found in typical LWR fuel. The results of the study indicate that formation of JOG and or HBS prevents any significant fuel-cladding mechanical interaction from occurring, thereby extending the potential life of the fuel elements.« less

  20. Impact of aromatic concentration in marine fuels on particle emissions

    NASA Astrophysics Data System (ADS)

    Zetterdahl, Maria; Salo, Kent; Fridell, Erik; Sjöblom, Jonas

    2017-09-01

    The fuel sulfur content in marine fuels has been regulated in Sulfur Emission Control Areas (SECAs) since January 2015. However, other fuel characteristics are also believed to have an impact on particle emissions, particularly on the number of particles emitted. This study investigates the impact of the content of aromatics in fuel. To achieve fuel blends with concentrations of aromatics similar to those found in marine fuel oils, i.e. 20%-30% by volume (%vol.), normal diesel oil (4%-5% vol. aromatics) is doped with a mixture of aromatics. Emission measurements are conducted in test-bed engine facilities and particle emissions over a wide size range are analyzed. Results show a decreased number of particles emitted (or not change) with an increase in the aromatic concentration in fuel. This is because there is a reduction in the cetane number of the fuel with an increased aromatic content, which effects the combustion process and results in decreased particle formation. However, when ignition improver is used to increase the cetane number, particle emissions remain at a lower level than for normal diesel oil; thereby emphasizing the presence of other factors in the formation of particles.

  1. Photochemical modeling of emissions trading of highly reactive volatile organic compounds in Houston, Texas. 1. Reactivity based trading and potential for ozone hot spot formation.

    PubMed

    Wang, Linlin; Thompson, Tammy; McDonald-Buller, Elena C; Webb, Alba; Allen, David T

    2007-04-01

    As part of the State Implementation Plan for attaining the National Ambient Air Quality Standard for ozone, the Texas Commission of Environmental Quality has created a Highly Reactive Volatile Organic Compounds (HRVOC) Emissions Cap and Trade Program for industrial point sources in the Houston/Galveston/Brazoria area. This program has a number of unique features, including its focus on a limited group of ozone precursors and its provisions for trading emissions based on atmospheric reactivity. This series of papers examines the potential air quality impacts of this new emission trading program through photochemical modeling of potential trading scenarios; this first paper in the series describes the air quality modeling methods used to assess potential trades, the potential for localized increases in ozone concentrations (ozone "hot spots") due to HRVOC emission trading, and the use of reactivity scales in the trading. When HRVOC emissions are traded on a mass basis, the simulations indicate that trading of HRVOC allowances between facilities resulted in less than 0.15 ppb (<0.13%) and 0.06 ppb (<0.06%) increases in predicted maximum, area-wide 1-h averaged and 8-h averaged ozone concentrations, respectively. Maximum decreases in ozone concentrations associated with trading, as opposed to across-the-board reductions, were larger than the increases. All of these changes are small compared to the maximum changes in ozone concentrations due to the VOC emissions from these sources (up to 5-10 ppb for 8 h averages; up to 30 ppb for 1-h averages). When emissions of HRVOCs are traded for other, less reactive emissions, on a reactivity weighted basis, air quality simulations indicate that daily maximum ozone concentrations increased by less than 0.3%. Because these relatively small changes (< 1%) are for unlikely trading scenarios designed to produce a maximum change in ozone concentrations (all emissions traded into localized regions), the simulations indicate that the

  2. An experimental and numerical study of nitrogen oxide formation mechanisms in ammonia-hydrogen-air flames

    NASA Astrophysics Data System (ADS)

    Kumar, Praveen

    The demand for sustainable alternative fuels is ever-increasing in the power generation, transportation, and energy sectors due to the inherent non-sustainable characteristics and political constraints of current energy resources. A number of alternative fuels derived from cellulosic biomass, algae, or waste are being considered, along with the conversion of electricity to non-carbon fuels such as hydrogen or ammonia (NH3). The latter is receiving attention recently because it is a non-carbon fuel that is readily produced in large quantities, stored and transported with current infrastructure, and is often a byproduct of biomass or waste conversion processes. However, pure or anhydrous ammonia combustion is severely challenging due to its high auto-ignition temperature (650 °C), low reactivity, and tendency to promote NOx formation. As such, the present study focuses on two major aspects of the ammonia combustion. The first is an applied investigation of the potential to achieve pure NH3 combustion with low levels of emissions in flames of practical interest. In this study, a swirl-stabilized flame typically used in fuel-oil home-heating systems is optimized for NH3 combustion, and measurements of NO and NH3 are collected for a wide range of operating conditions. The second major focus of this work is on fundamental investigation of NO x formation mechanisms in flames with high levels of NH3 in H2. For laminar premixed and diffusion jet flames, experimental measurements of flame speeds, exhaust-gas sampling, and in-situ NO measurements (NO PLIF) are compared with numerically predicted flames using complex chemical kinetics within CHEMKIN and reacting CFD codes i.e., UNICORN. From the preliminary testing of the NOx formation mechanisms, (1) Tian (2) Konnov and (3) GRI-Mech3.0 in laminar premixed H2/NH 3 flames, the Tian and Konnov mechanisms are found to capture the reduction in measured flame speeds with increasing NH3 in the fuel mixture, both qualitatively and

  3. A reactive transport model for Marcellus shale weathering

    NASA Astrophysics Data System (ADS)

    Heidari, Peyman; Li, Li; Jin, Lixin; Williams, Jennifer Z.; Brantley, Susan L.

    2017-11-01

    Shale formations account for 25% of the land surface globally and contribute a large proportion of the natural gas used in the United States. One of the most productive shale-gas formations is the Marcellus, a black shale that is rich in organic matter and pyrite. As a first step toward understanding how Marcellus shale interacts with water in the surface or deep subsurface, we developed a reactive transport model to simulate shale weathering under ambient temperature and pressure conditions, constrained by soil and water chemistry data. The simulation was carried out for 10,000 years since deglaciation, assuming bedrock weathering and soil genesis began after the last glacial maximum. Results indicate weathering was initiated by pyrite dissolution for the first 1000 years, leading to low pH and enhanced dissolution of chlorite and precipitation of iron hydroxides. After pyrite depletion, chlorite dissolved slowly, primarily facilitated by the presence of CO2 and organic acids, forming vermiculite as a secondary mineral. A sensitivity analysis indicated that the most important controls on weathering include the presence of reactive gases (CO2 and O2), specific surface area, and flow velocity of infiltrating meteoric water. The soil chemistry and mineralogy data could not be reproduced without including the reactive gases. For example, pyrite remained in the soil even after 10,000 years if O2 was not continuously present in the soil column; likewise, chlorite remained abundant and porosity remained small if CO2 was not present in the soil gas. The field observations were only simulated successfully when the modeled specific surface areas of the reactive minerals were 1-3 orders of magnitude smaller than surface area values measured for powdered minerals. Small surface areas could be consistent with the lack of accessibility of some fluids to mineral surfaces due to surface coatings. In addition, some mineral surface is likely interacting only with equilibrated pore

  4. Mixed fuel strategy for carbon deposition mitigation in solid oxide fuel cells at intermediate temperatures.

    PubMed

    Su, Chao; Chen, Yubo; Wang, Wei; Ran, Ran; Shao, Zongping; Diniz da Costa, João C; Liu, Shaomin

    2014-06-17

    In this study, we propose and experimentally verified that methane and formic acid mixed fuel can be employed to sustain solid oxide fuel cells (SOFCs) to deliver high power outputs at intermediate temperatures and simultaneously reduce the coke formation over the anode catalyst. In this SOFC system, methane itself was one part of the fuel, but it also played as the carrier gas to deliver the formic acid to reach the anode chamber. On the other hand, the products from the thermal decomposition of formic acid helped to reduce the carbon deposition from methane cracking. In order to clarify the reaction pathways for carbon formation and elimination occurring in the anode chamber during the SOFC operation, O2-TPO and SEM analysis were carried out together with the theoretical calculation. Electrochemical tests demonstrated that stable and high power output at an intermediate temperature range was well-maintained with a peak power density of 1061 mW cm(-2) at 750 °C. With the synergic functions provided by the mixed fuel, the SOFC was running for 3 days without any sign of cell performance decay. In sharp contrast, fuelled by pure methane and tested at similar conditions, the SOFC immediately failed after running for only 30 min due to significant carbon deposition. This work opens a new way for SOFC to conquer the annoying problem of carbon deposition just by properly selecting the fuel components to realize their synergic effects.

  5. Quadrature Moments Method for the Simulation of Turbulent Reactive Flows

    DTIC Science & Technology

    2003-12-01

    and Flame 117, 732. TSAI, K. & Fox, R. 0. 1998 The BMC/GIEM model for micromixing in non-premixed turbulent reacting flows. Industrial Engineering...L. & Fox, R. 0. 2003 Comparison of micromixing models for CFD simulation of nanoparticle formation by reactive precipitation. Submitted to AIChE

  6. Measurements of total OH reactivity at the PROPHET site

    NASA Astrophysics Data System (ADS)

    Rickly, Pamela; Sakowski, Joseph; Bottorff, Brandon; Lew, Michelle; Stevens, Philip; Sklaveniti, Sofia; Léonardis, Thierry; Locoge, Nadine; Dusanter, Sébastien

    2017-04-01

    As the main oxidant in the daytime atmosphere, the hydroxyl radical (OH) initiates the oxidation of organic trace gases and the formation of pollutants such as ozone and secondary organic aerosols. Understanding both the sources and sinks of OH is therefore important to address issues related to air quality and climate change. Total OH reactivity measurements have proved to be of interest to investigate the OH budget and have highlighted an incomplete understanding of OH sinks in forested environments, which are characterized by high concentrations of biogenic volatile organic compounds (BVOCs) and their oxidation products. A research facility located in a Michigan forest, US, has hosted several campaigns of OH reactivity measurements over the last 15 years through the PROPHET (Program for Research on Oxidants: Photochemistry, Emission and Transport) program. This site is characterized by deciduous trees emitting isoprene and other BVOCs and a low impact of anthropogenic emissions. Measurements of OH reactivity were performed during PROPHET 1998 and CABINEX 2009. More recently, OH reactivity was measured during the PROPHET 2016 - AMOS (Atmospheric Measurements of Oxidants in summer) field campaign using the Comparative Reactivity Method (CRM) and the Total OH Loss Rate Method (TOHLM). In this presentation, we will show that the two measurement techniques agree within uncertainties, giving confidence in the measured OH reactivity. In addition, concomitant measurements of trace gases (VOCs, NOx, O3) made by online and offline instruments were used to perform a comprehensive apportionment of OH sinks. We will provide insights into the OH reactivity budget and will show how it compares to the previous abovementioned studies.

  7. A model to predict thermal conductivity of irradiated U-Mo dispersion fuel

    NASA Astrophysics Data System (ADS)

    Burkes, Douglas E.; Huber, Tanja K.; Casella, Andrew M.

    2016-05-01

    Numerous global programs are focused on the continued development of existing and new research and test reactor fuels to achieve maximum attainable uranium loadings to support the conversion of a number of the world's remaining high-enriched uranium fueled reactors to low-enriched uranium fuel. Some of these programs are focused on assisting with the development and qualification of a fuel design that consists of a uranium-molybdenum (U-Mo) alloy dispersed in an aluminum matrix as one option for reactor conversion. Thermal conductivity is an important consideration in determining the operational temperature of the fuel and can be influenced by interaction layer formation between the dispersed phase and matrix and upon the concentration of the dispersed phase within the matrix. This paper extends the use of a simple model developed previously to study the influence of interaction layer formation as well as the size and volume fraction of fuel particles dispersed in the matrix, Si additions to the matrix, and Mo concentration in the fuel particles on the effective thermal conductivity of the U-Mo/Al composite during irradiation. The model has been compared to experimental measurements recently conducted on U-Mo/Al dispersion fuels at two different fission densities with acceptable agreement. Observations of the modeled results indicate that formation of an interaction layer and subsequent consumption of the matrix reveals a rather significant effect on effective thermal conductivity. The modeled interaction layer formation and subsequent consumption of the high thermal conductivity matrix was sensitive to the average dispersed fuel particle size, suggesting this parameter as one of the most effective in minimizing thermal conductivity degradation of the composite, while the influence of Si additions to the matrix in the model was highly dependent upon irradiation conditions.

  8. A model to predict thermal conductivity of irradiated U–Mo dispersion fuel

    DOE Office of Scientific and Technical Information (OSTI.GOV)

    Burkes, Douglas E.; Huber, Tanja K.; Casella, Andrew M.

    The Office of Materials Management and Minimization Reactor Conversion Program continues to develop existing and new research and test reactor fuels to achieve maximum attainable uranium loadings to support the conversion of a number of the world’s remaining high-enriched uranium fueled reactors to low-enriched uranium fuel. The program is focused on assisting with the development and qualification of a fuel design that consists of a uranium-molybdenum (U-Mo) alloy dispersed in an aluminum matrix as one option for reactor conversion. Thermal conductivity is an important consideration in determining the operational temperature of the fuel and can be influenced by interaction layermore » formation between the dispersed phase and matrix and upon the concentration of the dispersed phase within the matrix. This paper extends the use of a simple model developed previously to study the influence of interaction layer formation as well as the size and volume fraction of fuel particles dispersed in the matrix, Si additions to the matrix, and Mo concentration in the fuel particles on the effective thermal conductivity of the U-Mo/Al composite during irradiation. The model has been compared to experimental measurements recently conducted on U-Mo/Al dispersion fuels at two different fission densities with acceptable agreement. Observations of the modeled results indicate that formation of an interaction layer and subsequent consumption of the matrix reveals a rather significant effect on effective thermal conductivity. The modeled interaction layer formation and subsequent consumption of the high thermal conductivity matrix was sensitive to the average dispersed fuel particle size, suggesting this parameter as one of the most effective in minimizing thermal conductivity degradation of the composite, while the influence of Si additions to the matrix in the model was highly dependent upon irradiation conditions.« less

  9. Pore Fluid Extraction by Reactive Solitary Waves in 3-D

    NASA Astrophysics Data System (ADS)

    Omlin, Samuel; Malvoisin, Benjamin; Podladchikov, Yury Y.

    2017-09-01

    In the lower crust, viscous compaction is known to produce solitary porosity and fluid pressure waves. Metamorphic (de)volatilization reactions can also induce porosity changes in response to the propagating fluid pressure anomalies. Here we present results from high-resolution simulations using Graphic Processing Unit parallel processing with a model that includes both viscous (de)compaction and reaction-induced porosity changes. Reactive porosity waves propagate in a manner similar to viscous porosity waves, but through a different mechanism involving fluid release and trap in the solid by reaction. These waves self-generate from red noise or an ellipsoidal porosity anomaly with the same characteristic size and abandon their source region to propagate at constant velocity. Two waves traveling at different velocities pass through each other in a soliton-like fashion. Reactive porosity waves thus provide an additional mechanism for fluid extraction at shallow depths with implications for ore formation, diagenesis, metamorphic veins formation, and fluid extraction from subduction zones.

  10. Ozone Formation Induced by the Impact of Reactive Bromine and Iodine Species on Photochemistry in a Polluted Marine Environment.

    PubMed

    Shechner, M; Tas, E

    2017-12-19

    Reactive iodine and bromine species (RIS and RBS, respectively) are known for altering atmospheric chemistry and causing sharp tropospheric ozone (O 3 ) depletion in polar regions and significant O 3 reduction in the marine boundary layer (MBL). Here we use measurement-based modeling to show that, unexpectedly, both RIS and RBS can lead to enhanced O 3 formation in a polluted marine environment under volatile organic compound (VOC)-limited conditions associated with high nitrogen oxide (NO X = [NO] + [NO 2 ]) concentrations. Under these conditions, the daily average O 3 mixing ratio increased to ∼44 and ∼28% for BrO and IO mixing ratios of up to ∼6.8 and 4.7 ppt, respectively. The increase in the level of O 3 was partially induced by enhanced ClNO 3 formation for higher Br 2 and I 2 emission flux. The increase in the level of O 3 was associated with an increased mixing ratio of hydroperoxyl radical to hydroxyl radical ([HO 2 ]/[OH]) and increased [NO 2 ]/[NO] with higher levels of RBS and/or RIS. NO X -rich conditions are typical of the polluted MBL, near coastlines and ship plumes. Considering that O 3 is toxic to humans, plants, and animals and is a greenhouse gas, our findings call for adequate updating of local and regional air-quality models with the effects of activities of RBS and RIS on O 3 mixing ratios in the polluted MBL.

  11. Effect of indium addition in U-Zr metallic fuel on lanthanide migration

    DOE Office of Scientific and Technical Information (OSTI.GOV)

    Kim, Yeon Soo; Wiencek, T.; O'Hare, E.

    Advanced fast reactor concepts to achieve ultra-high burnup (~50%) require prevention of fuel-cladding chemical interaction (FCCI). Fission product lanthanide accumulation at high burnup is substantial and significantly contributes to FCCI upon migration to the cladding interface. Diffusion barriers are typically used to prevent interaction of the lanthanides with the cladding. A more active method has been proposed which immobilizes the lanthanides through formation of stable compounds with an additive. Theoretical analysis showed that indium, thallium, and antimony are good candidates. Indium was the strongest candidate because of its low reactivity with iron-based cladding alloys. Characterization of the as-fabricated alloys wasmore » performed to determine the effectiveness of the indium addition in forming compounds with lanthanides, represented by cerium. Tests to examine how effectively the dopant prevents lanthanide migration under a thermal gradient were also performed. The results showed that indium effectively prevented cerium migration.« less

  12. Self-organised synthesis of Rh nanostructures with tunable chemical reactivity

    PubMed Central

    2007-01-01

    Nonequilibrium periodic nanostructures such as nanoscale ripples, mounds and rhomboidal pyramids formed on Rh(110) are particularly interesting as candidate model systems with enhanced catalytic reactivity, since they are endowed with steep facets running along nonequilibrium low-symmetry directions, exposing a high density of undercoordinated atoms. In this review we report on the formation of these novel nanostructured surfaces, a kinetic process which can be controlled by changing parameters such as temperature, sputtering ion flux and energy. The role of surface morphology with respect to chemical reactivity is investigated by analysing the carbon monoxide dissociation probability on the different nanostructured surfaces.

  13. Criticality safety evaluation for the Advanced Test Reactor enhanced low enriched uranium fuel elements

    DOE Office of Scientific and Technical Information (OSTI.GOV)

    Montierth, Leland M.

    2016-07-19

    The Global Threat Reduction Initiative (GTRI) convert program is developing a high uranium density fuel based on a low enriched uranium (LEU) uranium-molybdenum alloy. Testing of prototypic GTRI fuel elements is necessary to demonstrate integrated fuel performance behavior and scale-up of fabrication techniques. GTRI Enhanced LEU Fuel (ELF) elements based on the ATR-Standard Size elements (all plates fueled) are to be fabricated for testing in the Advanced Test Reactor (ATR). While a specific ELF element design will eventually be provided for detailed analyses and in-core testing, this criticality safety evaluation (CSE) is intended to evaluate a hypothetical ELF element designmore » for criticality safety purposes. Existing criticality analyses have analyzed Standard (HEU) ATR elements from which controls have been derived. This CSE documents analysis that determines the reactivity of the hypothetical ELF fuel elements relative to HEU ATR elements and whether the existing HEU ATR element controls bound the ELF element. The initial calculations presented in this CSE analyzed the original ELF design, now referred to as Mod 0.1. In addition, as part of a fuel meat thickness optimization effort for reactor performance, other designs have been evaluated. As of early 2014 the most current conceptual designs are Mk1A and Mk1B, that were previously referred to as conceptual designs Mod 0.10 and Mod 0.11, respectively. Revision 1 evaluates the reactivity of the ATR HEU Mark IV elements for a comparison with the Mark VII elements.« less

  14. Balanced pressure gerotor fuel pump

    DOEpatents

    Raney, Michael Raymond; Maier, Eugen

    2004-08-03

    A gerotor pump for pressurizing gasoline fuel is capable of developing pressures up to 2.0 MPa with good mechanical and volumetric efficiency and satisfying the durability requirements for an automotive fuel pump. The pump has been designed with optimized clearances and by including features that promote the formation of lubricating films of pressurized fuel. Features of the improved pump include the use of a shadow port in the side plate opposite the outlet port to promote balancing of high fuel pressures on the opposite sides of the rotors. Inner and outer rotors have predetermined side clearances with the clearances of the outer rotor being greater than those of the inner rotor in order to promote fuel pressure balance on the sides of the outer rotor. Support of the inner rotor and a drive shaft on a single bushing with bearing sleeves maintains concentricity. Additional features are disclosed.

  15. NO 2 oxidation reactivity and burning mode of diesel particulates

    DOE PAGES

    Strzelec, Andrea; Vander Wal, Randy L.; Thompson, Thomas N.; ...

    2016-03-24

    The NO 2 oxidation kinetics and burning mode for diesel particulate from light-duty and medium-duty engines fueled with either ultra low sulfur diesel or soy methyl ester biodiesel blends have been investigated and are shown to be significantly different from oxidation by O 2. Oxidation kinetics were measured using a flow-through packed bed microreactor for temperature programmed reactions and isothermal differential pulsed oxidation reactions. The burning mode was evaluated using the same reactor system for flowing BET specific surface area measurements and HR-TEM with fringe analysis to evaluate the nanostructure of the nascent and partially oxidized particulates. The low activationmore » energy measured, specific surface area progression with extent of oxidation, HR-TEM images and difference plots of fringe length and tortuosity paint a consistent picture of higher reactivity for NO 2, which reacts indiscriminately immediately upon contact with the surface, leading to the Zone I or shrinking core type oxidation. In comparison, O 2 oxidation is shown to have relatively lower reactivity, preferentially attacking highly curved lamella, which are more reactive due to bond strain, and short lamella, which have a higher proportion of more reactive edge sites. Furthermore, this preferential oxidation leads to Zone II type oxidation, where solid phase diffusion of oxygen via pores contributes significantly to slowing the overall oxidation rate, by comparison.« less

  16. 13C Pathway Analysis for the Role of Formate in Electricity Generation by Shewanella Oneidensis MR-1 Using Lactate in Microbial Fuel Cells

    PubMed Central

    Luo, Shuai; Guo, Weihua; H. Nealson, Kenneth; Feng, Xueyang; He, Zhen

    2016-01-01

    Microbial fuel cell (MFC) is a promising technology for direct electricity generation from organics by microorganisms. The type of electron donors fed into MFCs affects the electrical performance, and mechanistic understanding of such effects is important to optimize the MFC performance. In this study, we used a model organism in MFCs, Shewanella oneidensis MR-1, and 13C pathway analysis to investigate the role of formate in electricity generation and the related microbial metabolism. Our results indicated a synergistic effect of formate and lactate on electricity generation, and extra formate addition on the original lactate resulted in more electrical output than using formate or lactate as a sole electron donor. Based on the 13C tracer analysis, we discovered decoupled cell growth and electricity generation in S. oneidensis MR-1 during co-utilization of lactate and formate (i.e., while the lactate was mainly metabolized to support the cell growth, the formate was oxidized to release electrons for higher electricity generation). To our best knowledge, this is the first time that 13C tracer analysis was applied to study microbial metabolism in MFCs and it was demonstrated to be a valuable tool to understand the metabolic pathways affected by electron donors in the selected electrochemically-active microorganisms. PMID:26868848

  17. Investigation of the transient fuel preburner manifold and combustor

    NASA Technical Reports Server (NTRS)

    Wang, Ten-See; Chen, Yen-Sen; Farmer, Richard C.

    1989-01-01

    A computational fluid dynamics (CFD) model with finite rate reactions, FDNS, was developed to study the start transient of the Space Shuttle Main Engine (SSME) fuel preburner (FPB). FDNS is a time accurate, pressure based CFD code. An upwind scheme was employed for spatial discretization. The upwind scheme was based on second and fourth order central differencing with adaptive artificial dissipation. A state of the art two-equation k-epsilon (T) turbulence model was employed for the turbulence calculation. A Pade' Rational Solution (PARASOL) chemistry algorithm was coupled with the point implicit procedure. FDNS was benchmarked with three well documented experiments: a confined swirling coaxial jet, a non-reactive ramjet dump combustor, and a reactive ramjet dump combustor. Excellent comparisons were obtained for the benchmark cases. The code was then used to study the start transient of an axisymmetric SSME fuel preburner. Predicted transient operation of the preburner agrees well with experiment. Furthermore, it was also found that an appreciable amount of unburned oxygen entered the turbine stages.

  18. Pore growth in U-Mo/Al dispersion fuel

    NASA Astrophysics Data System (ADS)

    Kim, Yeon Soo; Jeong, G. Y.; Sohn, D.-S.; Jamison, L. M.

    2016-09-01

    U-Mo/Al dispersion fuel is currently under development in the DOE's Material Management and Minimization program to convert HEU-fueled research reactors to LEU-fueled reactors. In some demanding conditions in high-power and high-performance reactors, large pores form in the interaction layers between the U-Mo fuel particles and the Al matrix, which pose a potential to cause fuel failure. In this study, comprehension of the formation and growth of these pores was explored. As a product, a model to predict pore growth and porosity increase was developed. The model includes three major topics: fission gas release from the U-Mo and the IL to the pores, stress evolution in the fuel meat, and the effect of amorphous IL growth. Well-characterized in-pile data from reduced-size plates were used to fit the model parameters. A data set from full-sized plates, independent and distinctively different from those used to fit the model parameters, was used to examine the accuracy of the model. The model showed fair agreement with the measured data. The model suggested that the growth of the IL has a critical effect on pore growth, as both its material properties and energetics are favorable to pore formation. Therefore, one area of the current effort, focused on suppressing IL growth, appears to be on the right track to improve the performance of this fuel.

  19. Influences of the molecular fuel structure on combustion reactions towards soot precursors in selected alkane and alkene flames.

    PubMed

    Ruwe, Lena; Moshammer, Kai; Hansen, Nils; Kohse-Höinghaus, Katharina

    2018-04-25

    In this study, we experimentally investigate the high-temperature oxidation kinetics of n-pentane, 1-pentene and 2-methyl-2-butene (2M2B) in a combustion environment using flame-sampling molecular beam mass spectrometry. The selected C5 fuels are prototypes for linear and branched, saturated and unsaturated fuel components, featuring different C-C and C-H bond structures. It is shown that the formation tendency of species, such as polycyclic aromatic hydrocarbons (PAHs), yielded through mass growth reactions increases drastically in the sequence n-pentane < 1-pentene < 2M2B. This comparative study enables valuable insights into fuel-dependent reaction sequences of the gas-phase combustion mechanism that provide explanations for the observed difference in the PAH formation tendency. First, we investigate the fuel-structure-dependent formation of small hydrocarbon species that are yielded as intermediate species during the fuel decomposition, because these species are at the origin of the subsequent mass growth reaction pathways. Second, we review typical PAH formation reactions inspecting repetitive growth sequences in dependence of the molecular fuel structure. Third, we discuss how differences in the intermediate species pool influence the formation reactions of key aromatic ring species that are important for the PAH growth process underlying soot formation. As a main result it was found that for the fuels featuring a C[double bond, length as m-dash]C double bond, the chemistry of their allylic fuel radicals and their decomposition products strongly influences the combination reactions to the initially formed aromatic ring species and as a consequence, the PAH formation tendency.

  20. Damage to the Silicon Substrate by Reactive Ion Etching Detected by a Slow Positron Beam

    NASA Astrophysics Data System (ADS)

    Wei, Long; Tabuki, Yasushi; Tanigawa, Shoichiro

    1993-01-01

    Defects in reactive ion-etched Si have been investigated by means of a slow positron beam. A thin carbon-containing film (<30 Å) was formed on the Si surface after reactive ion etching (RIE). Vacancy-type defects, which were estimated to distribute over 1200 Å in depth by numerical fitting using the positron trapping model, were observed in the damaged subsurface region of Si. Aside from ion bombardment, ultraviolet radiation is also presumed to affect the formation of vacancies, interstitials in oxide and the formation of vacancies in Si substrate. The ionization-enhanced diffusion (IED) mechanism is expected to promote the diffusion of vacancies and interstitials into Si substrate.

  1. On the Experimental and Theoretical Investigations of Lean Partially Premixed Combustion, Burning Speed, Flame Instability and Plasma Formation of Alternative Fuels at High Temperatures and Pressures

    NASA Astrophysics Data System (ADS)

    Askari, Omid

    This dissertation investigates the combustion and injection fundamental characteristics of different alternative fuels both experimentally and theoretically. The subjects such as lean partially premixed combustion of methane/hydrogen/air/diluent, methane high pressure direct-injection, thermal plasma formation, thermodynamic properties of hydrocarbon/air mixtures at high temperatures, laminar flames and flame morphology of synthetic gas (syngas) and Gas-to-Liquid (GTL) fuels were extensively studied in this work. These subjects will be summarized in three following paragraphs. The fundamentals of spray and partially premixed combustion characteristics of directly injected methane in a constant volume combustion chamber have been experimentally studied. The injected fuel jet generates turbulence in the vessel and forms a turbulent heterogeneous fuel-air mixture in the vessel, similar to that in a Compressed Natural Gas (CNG) Direct-Injection (DI) engines. The effect of different characteristics parameters such as spark delay time, stratification ratio, turbulence intensity, fuel injection pressure, chamber pressure, chamber temperature, Exhaust Gas recirculation (EGR) addition, hydrogen addition and equivalence ratio on flame propagation and emission concentrations were analyzed. As a part of this work and for the purpose of control and calibration of high pressure injector, spray development and characteristics including spray tip penetration, spray cone angle and overall equivalence ratio were evaluated under a wide range of fuel injection pressures of 30 to 90 atm and different chamber pressures of 1 to 5 atm. Thermodynamic properties of hydrocarbon/air plasma mixtures at ultra-high temperatures must be precisely calculated due to important influence on the flame kernel formation and propagation in combusting flows and spark discharge applications. A new algorithm based on the statistical thermodynamics was developed to calculate the ultra-high temperature plasma

  2. Electrochemical formation of a Pt/Zn alloy and its use as a catalyst for oxygen reduction reaction in fuel cells.

    PubMed

    Sode, Aya; Li, Winton; Yang, Yanguo; Wong, Phillip C; Gyenge, Elod; Mitchell, Keith A R; Bizzotto, Dan

    2006-05-04

    The characterization of an electrochemically created Pt/Zn alloy by Auger electron spectroscopy is presented indicating the formation of the alloy, the oxidation of the alloy, and the room temperature diffusion of the Zn into the Pt regions. The Pt/Zn alloy is stable up to 1.2 V/RHE and can only be removed with the oxidation of the base Pt metal either electrochemically or in aqua regia. The Pt/Zn alloy was tested for its effectiveness toward oxygen reduction. Kinetics of the oxygen reduction reaction (ORR) were measured using a rotating disk electrode (RDE), and a 30 mV anodic shift in the potential of ORR was found when comparing the Pt/Zn alloy to Pt. The Tafel slope was slightly smaller than that measured for the pure Pt electrode. A simple procedure for electrochemically modifying a Pt-containing gas diffusion electrode (GDE) with Zn was developed. The Zn-treated GDE was pressed with an untreated GDE anode, and the created membrane electrode assembly was tested. Fuel cell testing under two operating conditions (similar anode and cathode inlet pressures, and a larger cathode inlet pressure) indicated that the 30 mV shift observed on the RDE was also evident in the fuel cell tests. The high stability of the Pt/Zn alloy in acidic environments has a potential benefit for fuel cell applications.

  3. Star Formation in Dwarf-Dwarf Mergers: Fueling Hierarchical Assembly

    NASA Astrophysics Data System (ADS)

    Stierwalt, Sabrina; Johnson, K. E.; Kallivayalil, N.; Patton, D. R.; Putman, M. E.; Besla, G.; Geha, M. C.

    2014-01-01

    We present early results from the first systematic study a sample of isolated interacting dwarf pairs and the mechanisms governing their star formation. Low mass dwarf galaxies are ubiquitous in the local universe, yet the efficiency of gas removal and the enhancement of star formation in dwarfs via pre-processing (i.e. dwarf-dwarf interactions occurring before the accretion by a massive host) are currently unconstrained. Studies of Local Group dwarfs credit stochastic internal processes for their complicated star formation histories, but a few intriguing examples suggest interactions among dwarfs may produce enhanced star formation. We combine archival UV imaging from GALEX with deep optical broad- and narrow-band (Halpha) imaging taken with the pre- One Degree Imager (pODI) on the WIYN 3.5-m telescope and with the 2.3-m Bok telescope at Steward Observatory to confirm the presence of stellar bridges and tidal tails and to determine whether dwarf-dwarf interactions alone can trigger significant levels of star formation. We investigate star formation rates and global galaxy colors as a function of dwarf pair separation (i.e. the dwarf merger sequence) and dwarf-dwarf mass ratio. This project is a precursor to an ongoing effort to obtain high spatial resolution HI imaging to assess the importance of sequential triggering caused by dwarf-dwarf interactions and the subsequent affect on the more massive hosts that later accrete the low mass systems.

  4. Reactive impinging-flow technique for polymer-electrolyte-fuel-cell electrode-defect detection

    DOE PAGES

    Zenyuk, Iryna V.; Englund, Nicholas; Bender, Guido; ...

    2016-09-29

    Reactive impinging flow (RIF) is a novel quality-control method for defect detection (i.e., reduction in Pt catalyst loading) in gas-diffusion electrodes (GDEs) on weblines. The technique uses infrared thermography to detect temperature of a nonflammable (<4% H 2) reactive mixture of H 2/O 2 in N 2 impinging and reacting on a Pt catalytic surface. In this article, different GDE size defects (with catalyst-loading reductions of 25, 50, and 100%) are detected at various webline speeds (3.048 and 9.144 m min -1) and gas flowrates (32.5 or 50 standard L min -1). Furthermore, a model is developed and validated formore » the technique, and it is subsequently used to optimize operating conditions and explore the applicability of the technique to a range of defects. The model suggests that increased detection can be achieved by recting more of the impinging H 2, which can be accomplished by placing blocking substrates on the top, bottom, or both of the GDE; placing a substrate on both results in a factor of four increase in the temperature differential, which is needed for smaller defect detection. Lastly, overall, the RIF technique is shown to be a promising route for in-line, high-speed, large-area detection of GDE defects on moving weblines.« less

  5. Mesoporous Polymer Frameworks from End-Reactive Bottlebrush Copolymers

    DOE PAGES

    Altay, Esra; Nykypanchuk, Dmytro; Rzayev, Javid

    2017-08-07

    Reticulated nanoporous materials generated by versatile molecular framework approaches are limited to pore dimensions on the scale of the utilized rigid molecular building blocks (<5 nm). The inherent flexibility of linear polymers precludes their utilization as long framework connectors for the extension of this strategy to larger length scales. We report a method for the fabrication of mesoporous frameworks by using bottlebrush copolymers with reactive end blocks serving as rigid macromolecular interconnectors with directional reactivity. End-reactive bottlebrush copolymers with pendant alkene functionalities were synthesized by a combination of controlled radical polymerization and polymer modification protocols. Ru-catalyzed cross-metathesis cross-linking of bottlebrushmore » copolymers with two reactive end blocks resulted in the formation of polymer frameworks where isolated cross-linked domains were interconnected with bottlebrush copolymer bridges. The resulting materials were characterized by a continuous network pore structure with average pore sizes of 9–50 nm, conveniently tunable by the length of the utilized bottlebrush copolymer building blocks. As a result, the materials fabrication strategy described in this work expands the length scale of molecular framework materials and provides access to mesoporous polymers with a molecularly tunable reticulated pore structure without the need for templating, sacrificial component etching, or supercritical fluid drying.« less

  6. Hydroxylated polychlorinated biphenyls increase reactive oxygen species formation and induce cell death in cultured cerebellar granule cells

    DOE Office of Scientific and Technical Information (OSTI.GOV)

    Dreiem, Anne; Norwegian Defence Research Establishment, Department for Protection, Kjeller; Rykken, Sidsel

    2009-10-15

    Polychlorinated biphenyls (PCBs) are persistent organic pollutants that bioaccumulate in the body, however, they can be metabolized to more water-soluble products. Although they are more readily excreted than the parent compounds, some of the metabolites are still hydrophobic and may be more available to target tissues, such as the brain. They can also cross the placenta and reach a developing foetus. Much less is known about the toxicity of PCB metabolites than about the parent compounds. In the present study, we have investigated the effects of eight hydroxylated (OH) PCB congeners (2'-OH PCB 3, 4-OH PCB 14, 4-OH PCB 34,more » 4'-OH PCB 35, 4-OH PCB 36, 4'-OH PCB 36, 4-OH PCB 39, and 4'-OH PCB 68) on reactive oxygen species (ROS) formation and cell viability in rat cerebellar granule cells. We found that, similar to their parent compounds, OH-PCBs are potent ROS inducers with potency 4-OH PCB 14 < 4-OH PCB 36 < 4-OH PCB 34 < 4'-OH PCB 36 < 4'-OH PCB 68 < 4-OH PCB 39 < 4'-OH PCB 35. 4-OH PCB 36 was the most potent cell death inducer, and caused apoptotic or necrotic morphology depending on concentration. Inhibition of ERK1/2 kinase with U0126 reduced both cell death and ROS formation, suggesting that ERK1/2 activation is involved in OH-PCB toxicity. The results indicate that the hydroxylation of PCBs may not constitute a detoxification reaction. Since OH-PCBs like their parent compounds are retained in the body and may be more widely distributed to sensitive tissues, it is important that not only the levels of the parent compounds but also the levels of their metabolites are taken into account during risk assessment of PCBs and related compounds.« less

  7. Preparation and Reactivity of Gasless Nanostructured Energetic Materials

    PubMed Central

    Manukyan, Khachatur V.; Shuck, Christopher E.; Rogachev, Alexander S.; Mukasyan, Alexander S.

    2015-01-01

    High-Energy Ball Milling (HEBM) is a ball milling process where a powder mixture placed in the ball mill is subjected to high-energy collisions from the balls. Among other applications, it is a versatile technique that allows for effective preparation of gasless reactive nanostructured materials with high energy density per volume (Ni+Al, Ta+C, Ti+C). The structural transformations of reactive media, which take place during HEBM, define the reaction mechanism in the produced energetic composites. Varying the processing conditions permits fine tuning of the milling-induced microstructures of the fabricated composite particles. In turn, the reactivity, i.e., self-ignition temperature, ignition delay time, as well as reaction kinetics, of high energy density materials depends on its microstructure. Analysis of the milling-induced microstructures suggests that the formation of fresh oxygen-free intimate high surface area contacts between the reagents is responsible for the enhancement of their reactivity. This manifests itself in a reduction of ignition temperature and delay time, an increased rate of chemical reaction, and an overall decrease of the effective activation energy of the reaction. The protocol provides a detailed description for the preparation of reactive nanocomposites with tailored microstructure using short-term HEBM method. It also describes a high-speed thermal imaging technique to determine the ignition/combustion characteristics of the energetic materials. The protocol can be adapted to preparation and characterization of a variety of nanostructured energetic composites. PMID:25868065

  8. Heterogeneous kinetics of N2O5 reactive uptake and chlorine activation in authentic biomass burning aerosol

    NASA Astrophysics Data System (ADS)

    Sullivan, R. C.; Jahl, L.; Goldberger, L.; Ahern, A.; Thornton, J. A.

    2017-12-01

    Nitryl chloride (ClNO2) is a nighttime reservoir of NOx that is formed from the uptake of dinitrogen pentoxide (N2O5) into particles containing chloride. The formation of ClNO2 from heterogeneous reactions of N2O5(g) with authentic biomass burning aerosol has not previously been studied. We observed the rapid production of N2O5 and then ClNO2 during dark chemical transformations of biomass burning aerosol produced from a variety of fuels using both a smog chamber and an aerosol flow tube reactor. Iodide adduct chemical ionization mass spectrometry was used to measure gas phase ClNO2 and N2O5, and acetate chemical ionization mass spectrometry to measure gaseous HCl and other compounds, while a soot particle aerosol mass spectrometer measured changes in aerosol composition as chloride was displaced by nitrate. Upon the addition of ozone to the biomass burning smoke, N2O5 was always rapidly formed and ClNO2 was subsequently detected in the gas phase. During experiments at high relative humidity, we observed decreases in particulate chloride and increases in particulate nitrate which we believe are due to acid displacement of HCl(g) by HNO3 since no additional ClNO2 was produced in the gas phase. The reactive uptake probability of N2O5 on authentic biomass burning aerosol and the yield of ClNO2 were determined for the first time using chamber and flow tube experiments on smoke from biomass fuels including sawgrass, giant cutgrass, palmetto leaves, and ponderosa pine. These experiments confirm the formation of N2O5 and ClNO2 in biomass burning emissions and suggest that biomass burning is a likely source of continental ClNO2 and HCl.

  9. Development of burnup dependent fuel rod model in COBRA-TF

    NASA Astrophysics Data System (ADS)

    Yilmaz, Mine Ozdemir

    predictions. After confirming that the new fuel thermal conductivity model in CTF worked and provided consistent results with FRAPTRAN predictions for a single fuel rod configuration, the same type of analysis was carried out for a bigger system which is the 4x4 PWR bundle consisting of 15 fuel pins and one control guide tube. Steady- state calculations at Hot Full Power (HFP) conditions for control guide tube out (unrodded) were performed using the 4x4 PWR array with CTF/TORT-TD coupled code system. Fuel centerline, surface and average temperatures predicted by CTF/TORT-TD with and without the new fuel thermal conductivity model were compared against CTF/TORT-TD/FRAPTRAN predictions to demonstrate the improvement in fuel centerline predictions when new model was used. In addition to that constant and CTF dynamic gap conductance model were used with the new thermal conductivity model to show the performance of the CTF dynamic gap conductance model and its impact on fuel centerline and surface temperatures. Finally, a Rod Ejection Accident (REA) scenario using the same 4x4 PWR array was run both at Hot Zero Power (HZP) and Hot Full Power (HFP) condition, starting at a position where half of the control rod is inserted. This scenario was run using CTF/TORT-TD coupled code system with and without the new fuel thermal conductivity model. The purpose of this transient analysis was to show the impact of thermal conductivity degradation (TCD) on feedback effects, specifically Doppler Reactivity Coefficient (DRC) and, eventually, total core reactivity.

  10. An Isolable Phosphaethynolatoborane and Its Reactivity.

    PubMed

    Wilson, Daniel W N; Hinz, Alexander; Goicoechea, Jose M

    2018-02-19

    The synthesis and characterization of a stable phosphaethynolatoborane, [B]OCP (1, [B]=N,N'-bis(2,6-diisopropylphenyl)-2,3-dihydro-1H-1,3,2-diazaboryl), is described. The increased triple bond character of the P-C bond in 1 relative to the free ion (PCO - ) is probed in a series of reactivity studies. Compound 1 readily dimerises in donor solvents to afford a cyclic five-membered 6π-aromatic compound, cyclo-P 2 {C[B]}O{CO[B]} (2), which decarbonylates on UV irradiation. By contrast the nickel-mediated dimerisation of 1 affords the isomeric diphosphacyclobutene [P(CO[B])] 2 . When 1 is reacted with organolithium reagents such as MesLi (Mes=2,4,6-trimethylphenyl), the boryl moiety shifts and the formation of the lithoxy-boryl-phosphaalkene [LiOC[B]P(Mes)] 2 was observed. The reactivity of this species towards electrophiles is also described. © 2018 Wiley-VCH Verlag GmbH & Co. KGaA, Weinheim.

  11. Dual-Functional Hydrazide-Reactive and Anhydride-Containing Oligomeric Hydrogel Building Blocks.

    PubMed

    Kascholke, Christian; Loth, Tina; Kohn-Polster, Caroline; Möller, Stephanie; Bellstedt, Peter; Schulz-Siegmund, Michaela; Schnabelrauch, Matthias; Hacker, Michael C

    2017-03-13

    Biomimetic hydrogels are advanced biomaterials that have been developed following different synthetic routes. Covalent postfabrication functionalization is a promising strategy to achieve efficient matrix modification decoupled of general material properties. To this end, dual-functional macromers were synthesized by free radical polymerization of maleic anhydride with diacetone acrylamide (N-(1,1-dimethyl-3-oxobutyl)acrylamide) and pentaerythritol diacrylate monostearate. Amphiphilic oligomers (M n < 7.5 kDa) with anhydride contents of 7-20% offered cross-linking reactivity to yield rigid hydrogels with gelatinous peptides (E = 4-13 kPa) and good cell adhesion properties. Mildly reactive methyl ketones as second functionality remained intact during hydrogel formation and potential of covalent matrix modification was shown using hydrazide and hydrazine model compounds. Successful secondary dihydrazide cross-linking was demonstrated by an increase of hydrogel stiffness (>40%). Efficient hydrazide/hydrazine immobilization depending on solution pH, hydrogel ketone content as well as ligand concentration for bioconjugation was shown and reversibility of hydrazone formation was indicated by physiologically relevant hydrazide release over 7 days. Proof-of-concept experiments with hydrazido-functionalized hyaluronan demonstrated potential for covalent aECM immobilization. The presented dual-functional macromers have perspective as reactive hydrogel building blocks for various biomedical applications.

  12. Alternative Aviation Fuel Experiment (AAFEX)

    NASA Technical Reports Server (NTRS)

    Anderson, B. E.; Beyersdorf, A. J.; Hudgins, C. H.; Plant, J. V.; Thornhill, K. L.; Winstead, E. L.; Ziemba, L. D.; Howard, R.; Corporan, E.; Miake-Lye, R. C.; hide

    2011-01-01

    The rising cost of oil coupled with the need to reduce pollution and dependence on foreign suppliers has spurred great interest and activity in developing alternative aviation fuels. Although a variety of fuels have been produced that have similar properties to standard Jet A, detailed studies are required to ascertain the exact impacts of the fuels on engine operation and exhaust composition. In response to this need, NASA acquired and burned a variety of alternative aviation fuel mixtures in the Dryden Flight Research Center DC-8 to assess changes in the aircraft s CFM-56 engine performance and emission parameters relative to operation with standard JP-8. This Alternative Aviation Fuel Experiment, or AAFEX, was conducted at NASA Dryden s Aircraft Operations Facility (DAOF) in Palmdale, California, from January 19 to February 3, 2009 and specifically sought to establish fuel matrix effects on: 1) engine and exhaust gas temperatures and compressor speeds; 2) engine and auxiliary power unit (APU) gas phase and particle emissions and characteristics; and 3) volatile aerosol formation in aging exhaust plumes

  13. Lattice Boltzmann-Based Approaches for Pore-Scale Reactive Transport

    DOE PAGES

    Yoon, Hongkyu; Kang, Qinjun; Valocchi, Albert J.

    2015-07-29

    Here an important geoscience and environmental applications such as geologic carbon storage, environmental remediation, and unconventional oil and gas recovery are best understood in the context of reactive flow and multicomponent transport in the subsurface environment. The coupling of chemical and microbiological reactions with hydrological and mechanical processes can lead to complex behaviors across an enormous range of spatial and temporal scales. These coupled responses are also strongly influenced by the heterogeneity and anisotropy of the geologic formations. Reactive transport processes can change the pore morphology at the pore scale, thereby leading to nonlinear interactions with advective and diffusive transport,more » which can strongly influence larger-scale properties such as permeability and dispersion.« less

  14. Precision Formation Keeping at L2 Using the Autonomous Formation Flying Sensor

    NASA Technical Reports Server (NTRS)

    McLoughlin, Terence H.; Campbell, Mark

    2004-01-01

    Recent advances in formation keeping for large numbers of spacecraft using the Autonomous Formation Flying are presented. This sensor, currently under development at JPL, has been identified as a key component in future formation flying spacecraft missions. The sensor provides accurate range and bearing measurements between pairs of spacecraft using GPS technology. Previous theoretical work by the authors has focused on developing a decentralized scheduling algorithm to control the tasking of such a sensor between the relative range and bearing measurements to each node in the formation. The resulting algorithm has been modified to include switching constraints in the sensor. This paper also presents a testbed for real time validation of a sixteen-node formation based on the Stellar Imager mission. Key aspects of the simulation include minimum fuel maneuvers based on free-body dynamics and a three body propagator for simulating the formation at L2.

  15. Recent developments in microbial fuel cell technologies for sustainable bioenergy.

    PubMed

    Watanabe, Kazuya

    2008-12-01

    Microbial fuel cells (MFCs) are devices that exploit microbial catabolic activities to generate electricity from a variety of materials, including complex organic waste and renewable biomass. These sources provide MFCs with a great advantage over chemical fuel cells that can utilize only purified reactive fuels (e.g., hydrogen). A developing primary application of MFCs is its use in the production of sustainable bioenergy, e.g., organic waste treatment coupled with electricity generation, although further technical developments are necessary for its practical use. In this article, recent advances in MFC technologies that can become fundamentals for future practical MFC developments are summarized. Results of recent studies suggest that MFCs will be of practical use in the near future and will become a preferred option among sustainable bioenergy processes.

  16. Phase I Metabolic Stability and Electrophilic Reactivity of 2-Phenylaminophenylacetic Acid Derived Compounds.

    PubMed

    Pang, Yi Yun; Tan, Yee Min; Chan, Eric Chun Yong; Ho, Han Kiat

    2016-07-18

    Diclofenac and lumiracoxib are two highly analogous 2-phenylaminophenylacetic acid anti-inflammatory drugs exhibiting occasional dose-limiting hepatotoxicities. Prior data indicate that bioactivation and reactive metabolite formation play roles in the observed toxicity, but the exact chemical influence of the substituents remains elusive. In order to elucidate the role of chemical influence on metabolism related toxicity, metabolic stability and electrophilic reactivity were investigated for a series of structurally related analogues and their resulting metabolites. The resulting analogues embody progressive physiochemical changes through varying halogeno- and aliphatic substituents at two positions and were subjected to in vitro human liver microsomal metabolic stability and cell-based GSH depletion assays (to measure electrophilic reactivity). LC-MS/MS analysis of the GSH trapped reactive intermediates derived from the analogues was then used to identify the putative structures of reactive metabolites. We found that chemical modifications of the structural backbone led to noticeable perturbations of metabolic stability, electrophilic reactivity, and structures and composition of reactive metabolites. With the acquired data, the relationships between stability, reactivity, and toxicity were investigated in an attempt to correlate between Phase I metabolism and in vitro toxicity. A positive correlation was identified between reactivity and in vitro toxicity, indicating that electrophilic reactivity can be an indicator for in vitro toxicity. All in all, the effect of substituents on the structures and reactivity of the metabolites, however subtle the changes, should be taken into consideration during future drug design involving similar chemical features.

  17. LC-MS-based characterization of the peptide reactivity of chemicals to improve the in vitro prediction of the skin sensitization potential.

    PubMed

    Natsch, Andreas; Gfeller, Hans

    2008-12-01

    A key step in the skin sensitization process is the formation of a covalent adduct between skin sensitizers and endogenous proteins and/or peptides in the skin. Based on this mechanistic understanding, there is a renewed interest in in vitro assays to determine the reactivity of chemicals toward peptides in order to predict their sensitization potential. A standardized peptide reactivity assay yielded a promising predictivity. This published assay is based on high-performance liquid chromatography with ultraviolet detection to quantify peptide depletion after incubation with test chemicals. We had observed that peptide depletion may be due to either adduct formation or peptide oxidation. Here we report a modified assay based on both liquid chromatography-mass spectrometry (LC-MS) analysis and detection of free thiol groups. This approach allows simultaneous determination of (1) peptide depletion, (2) peptide oxidation (dimerization), (3) adduct formation, and (4) thiol reactivity and thus generates a more detailed characterization of the reactivity of a molecule. Highly reactive molecules are further discriminated with a kinetic measure. The assay was validated on 80 chemicals. Peptide depletion could accurately be quantified both with LC-MS detection and depletion of thiol groups. The majority of the moderate/strong/extreme sensitizers formed detectable peptide adducts, but many sensitizers were also able to catalyze peptide oxidation. Whereas adduct formation was only observed for sensitizers, this oxidation reaction was also observed for two nonsensitizing fragrance aldehydes, indicating that peptide depletion might not always be regarded as sufficient evidence for rating a chemical as a sensitizer. Thus, this modified assay gives a more informed view of the peptide reactivity of chemicals to better predict their sensitization potential.

  18. Efficient reactive Brownian dynamics

    DOE PAGES

    Donev, Aleksandar; Yang, Chiao-Yu; Kim, Changho

    2018-01-21

    We develop a Split Reactive Brownian Dynamics (SRBD) algorithm for particle simulations of reaction-diffusion systems based on the Doi or volume reactivity model, in which pairs of particles react with a specified Poisson rate if they are closer than a chosen reactive distance. In our Doi model, we ensure that the microscopic reaction rules for various association and dissociation reactions are consistent with detailed balance (time reversibility) at thermodynamic equilibrium. The SRBD algorithm uses Strang splitting in time to separate reaction and diffusion and solves both the diffusion-only and reaction-only subproblems exactly, even at high packing densities. To efficiently processmore » reactions without uncontrolled approximations, SRBD employs an event-driven algorithm that processes reactions in a time-ordered sequence over the duration of the time step. A grid of cells with size larger than all of the reactive distances is used to schedule and process the reactions, but unlike traditional grid-based methods such as reaction-diffusion master equation algorithms, the results of SRBD are statistically independent of the size of the grid used to accelerate the processing of reactions. We use the SRBD algorithm to compute the effective macroscopic reaction rate for both reaction-limited and diffusion-limited irreversible association in three dimensions and compare to existing theoretical predictions at low and moderate densities. We also study long-time tails in the time correlation functions for reversible association at thermodynamic equilibrium and compare to recent theoretical predictions. Finally, we compare different particle and continuum methods on a model exhibiting a Turing-like instability and pattern formation. Our studies reinforce the common finding that microscopic mechanisms and correlations matter for diffusion-limited systems, making continuum and even mesoscopic modeling of such systems difficult or impossible. We also find that for models

  19. Efficient reactive Brownian dynamics

    NASA Astrophysics Data System (ADS)

    Donev, Aleksandar; Yang, Chiao-Yu; Kim, Changho

    2018-01-01

    We develop a Split Reactive Brownian Dynamics (SRBD) algorithm for particle simulations of reaction-diffusion systems based on the Doi or volume reactivity model, in which pairs of particles react with a specified Poisson rate if they are closer than a chosen reactive distance. In our Doi model, we ensure that the microscopic reaction rules for various association and dissociation reactions are consistent with detailed balance (time reversibility) at thermodynamic equilibrium. The SRBD algorithm uses Strang splitting in time to separate reaction and diffusion and solves both the diffusion-only and reaction-only subproblems exactly, even at high packing densities. To efficiently process reactions without uncontrolled approximations, SRBD employs an event-driven algorithm that processes reactions in a time-ordered sequence over the duration of the time step. A grid of cells with size larger than all of the reactive distances is used to schedule and process the reactions, but unlike traditional grid-based methods such as reaction-diffusion master equation algorithms, the results of SRBD are statistically independent of the size of the grid used to accelerate the processing of reactions. We use the SRBD algorithm to compute the effective macroscopic reaction rate for both reaction-limited and diffusion-limited irreversible association in three dimensions and compare to existing theoretical predictions at low and moderate densities. We also study long-time tails in the time correlation functions for reversible association at thermodynamic equilibrium and compare to recent theoretical predictions. Finally, we compare different particle and continuum methods on a model exhibiting a Turing-like instability and pattern formation. Our studies reinforce the common finding that microscopic mechanisms and correlations matter for diffusion-limited systems, making continuum and even mesoscopic modeling of such systems difficult or impossible. We also find that for models in which

  20. Efficient reactive Brownian dynamics

    DOE Office of Scientific and Technical Information (OSTI.GOV)

    Donev, Aleksandar; Yang, Chiao-Yu; Kim, Changho

    We develop a Split Reactive Brownian Dynamics (SRBD) algorithm for particle simulations of reaction-diffusion systems based on the Doi or volume reactivity model, in which pairs of particles react with a specified Poisson rate if they are closer than a chosen reactive distance. In our Doi model, we ensure that the microscopic reaction rules for various association and dissociation reactions are consistent with detailed balance (time reversibility) at thermodynamic equilibrium. The SRBD algorithm uses Strang splitting in time to separate reaction and diffusion and solves both the diffusion-only and reaction-only subproblems exactly, even at high packing densities. To efficiently processmore » reactions without uncontrolled approximations, SRBD employs an event-driven algorithm that processes reactions in a time-ordered sequence over the duration of the time step. A grid of cells with size larger than all of the reactive distances is used to schedule and process the reactions, but unlike traditional grid-based methods such as reaction-diffusion master equation algorithms, the results of SRBD are statistically independent of the size of the grid used to accelerate the processing of reactions. We use the SRBD algorithm to compute the effective macroscopic reaction rate for both reaction-limited and diffusion-limited irreversible association in three dimensions and compare to existing theoretical predictions at low and moderate densities. We also study long-time tails in the time correlation functions for reversible association at thermodynamic equilibrium and compare to recent theoretical predictions. Finally, we compare different particle and continuum methods on a model exhibiting a Turing-like instability and pattern formation. Our studies reinforce the common finding that microscopic mechanisms and correlations matter for diffusion-limited systems, making continuum and even mesoscopic modeling of such systems difficult or impossible. We also find that for models

  1. Formate production through biocatalysis

    PubMed Central

    Alissandratos, Apostolos; Kim, Hye-Kyung; Easton, Christopher J

    2013-01-01

    The generation of formate from CO2 provides a method for sequestration of this greenhouse gas as well as the production of a valuable commodity chemical and stabilized form of hydrogen fuel. Formate dehydrogenases are enzymes with the potential to catalyze this reaction; however they generally favor the reverse process, i.e., formate oxidation. By contrast, the formate dehydrogenase of the acetogen Clostridium carboxidivorans has been found to preferentially catalyze the reduction of CO2. This is in accord with its natural role to introduce CO2 as a carbon source in the Wood-Ljungdahl pathway. The direction of catalysis derives from the enzyme’s low affinity for formate. This enzyme is therefore an excellent candidate for biotechnological applications aimed at producing formic acid and derivative chemicals from CO2. PMID:23841981

  2. NOx formation from the combustion of monodisperse n-heptane sprays doped with fuel-nitrogen additives

    NASA Technical Reports Server (NTRS)

    Sarv, Hamid; Cernansky, Nicholas P.

    1989-01-01

    A series of experiments with simulated synthetic fuels were conducted in order to investigate the effect of droplet size on the conversion of fuel-nitrogen to NOx. Pyridine and pyrrole were added to n-heptane as nitrogen-containing additives and burned as monodisperse fuel droplets under various operating conditions in a spray combustion facility. The experimental results indicate that under stoichiometric and fuel-rich conditions, reducing the droplet size increases the efficiency of fuel-N conversion to NOx. This observation is associated with improved oxidation of the pyrolysis fragments of the additive by better oxygen penetration through the droplet flame zone. The dominant reactions by which fuel-N is transformed to NOx were also considered analytically by a premixed laminar flame code. The calculations are compared to the small droplet size results.

  3. MoMaS reactive transport benchmark using PFLOTRAN

    NASA Astrophysics Data System (ADS)

    Park, H.

    2017-12-01

    MoMaS benchmark was developed to enhance numerical simulation capability for reactive transport modeling in porous media. The benchmark was published in late September of 2009; it is not taken from a real chemical system, but realistic and numerically challenging tests. PFLOTRAN is a state-of-art massively parallel subsurface flow and reactive transport code that is being used in multiple nuclear waste repository projects at Sandia National Laboratories including Waste Isolation Pilot Plant and Used Fuel Disposition. MoMaS benchmark has three independent tests with easy, medium, and hard chemical complexity. This paper demonstrates how PFLOTRAN is applied to this benchmark exercise and shows results of the easy benchmark test case which includes mixing of aqueous components and surface complexation. Surface complexations consist of monodentate and bidentate reactions which introduces difficulty in defining selectivity coefficient if the reaction applies to a bulk reference volume. The selectivity coefficient becomes porosity dependent for bidentate reaction in heterogeneous porous media. The benchmark is solved by PFLOTRAN with minimal modification to address the issue and unit conversions were made properly to suit PFLOTRAN.

  4. Assessment of bio-fuel options for solid oxide fuel cell applications

    NASA Astrophysics Data System (ADS)

    Lin, Jiefeng

    diesel engine and truck idling with fuel cell auxiliary power unit system. The customized nozzle used for fuel vaporization and mixing achieved homogenous atomization of input hydrocarbon fuels (e.g., diesel, biodiesel, diesel-biodiesel blend, and biodiesel-ethanol-diesel), and improved the performance of fuel catalytic reformation. Given the same operating condition (reforming temperature, total oxygen content, water input flow, and gas hourly space velocity), the hydrocarbon reforming performance follows the trend of diesel > biodiesel-ethanol-diesel > diesel-biodiesel blend > biodiesel (i.e., diesel catalytic reformation has the highest hydrogen production, lowest risk of carbon formation, and least possibility of hot spot occurrence). These results provide important new insight into the use of bio-fuels and bio-fuel blends as a primary fuel source for solid oxide fuel cell applications.

  5. Recovery Act: Novel Oxygen Carriers for Coal-fueled Chemical Looping

    DOE Office of Scientific and Technical Information (OSTI.GOV)

    Pan, Wei-Ping; Cao, Yan

    2012-11-30

    Chemical Looping Combustion (CLC) could totally negate the necessity of pure oxygen by using oxygen carriers for purification of CO{sub 2} stream during combustion. It splits the single fuel combustion reaction into two linked reactions using oxygen carriers. The two linked reactions are the oxidation of oxygen carriers in the air reactor using air, and the reduction of oxygen carriers in the fuel reactor using fuels (i.e. coal). Generally metal/metal oxides are used as oxygen carriers and operated in a cyclic mode. Chemical looping combustion significantly improves the energy conversion efficiency, in terms of the electricity generation, because it improvesmore » the reversibility of the fuel combustion process through two linked parallel processes, compared to the conventional combustion process, which is operated far away from its thermo-equilibrium. Under the current carbon-constraint environment, it has been a promising carbon capture technology in terms of fuel combustion for power generation. Its disadvantage is that it is less mature in terms of technological commercialization. In this DOE-funded project, accomplishment is made by developing a series of advanced copper-based oxygen carriers, with properties of the higher oxygen-transfer capability, a favorable thermodynamics to generate high purity of CO{sub 2}, the higher reactivity, the attrition-resistance, the thermal stability in red-ox cycles and the achievement of the auto-thermal heat balance. This will be achieved into three phases in three consecutive years. The selected oxygen carriers with final-determined formula were tested in a scaled-up 10kW coal-fueled chemical looping combustion facility. This scaled-up evaluation tests (2-day, 8-hour per day) indicated that, there was no tendency of agglomeration of copper-based oxygen carriers. Only trace-amount of coke or carbon deposits on the copper-based oxygen carriers in the fuel reactor. There was also no evidence to show the sulphidization of

  6. Droplet Combustion and Non-Reactive Shear-Coaxial Jets with and without Transverse Acoustic Excitation

    DTIC Science & Technology

    2012-01-01

    186 6.2 Non-Reactive Shear-Coaxial Jets . . . . . . . . . . . . . . . . . . . . . . 188 A Shear-Coaxial Jets Experimental Facility: Piping and...185 A.1 Experimental facility piping and instrumentation diagram. . . . . . . . . 194 A.2 Expanded view of section A in Figure...modification, whereas a blend of gasoline and 85% ethanol (E85) is only certified to be used in flexible fuel vehicles (FFVs) with engines specifically

  7. Reactive Black 5 as electron donor and/or electron acceptor in dual chamber of solar photocatalytic fuel cell.

    PubMed

    Khalik, Wan Fadhilah; Ho, Li-Ngee; Ong, Soon-An; Voon, Chun-Hong; Wong, Yee-Shian; Yusuf, Sara Yasina; Yusoff, NikAthirah; Lee, Sin-Li

    2018-07-01

    The role of azo dye Reactive Black 5 (RB5) as an electron donor and/or electron acceptor could be distinguished in dual chamber of photocatalytic fuel cell (PFC). The introduction of RB5 in anode chamber increased the voltage generation in the system since degradation of RB5 might produce electrons which also would transfer through external circuit to the cathode chamber. The removal efficiency of RB5 with open and closed circuit was 8.5% and 13.6%, respectively and removal efficiency for open circuit was low due to the fact that recombination of electron-hole pairs might happen in anode chamber since without connection to the cathode, electron cannot be transferred. The degradation of RB5 in cathode chamber with absence of oxygen showed that electrons from anode chamber was accepted by dye molecules to break its azo bond. The presence of oxygen in cathode chamber would improve the oxygen reduction rate which occurred at Platinum-loaded carbon (Pt/C) cathode electrode. The V oc , J sc and P max for different condition of ultrapure water at cathode chamber also affected their fill factor. The transportation of protons to cathode chamber through Nafion membrane could decrease the pH of ultrapure water in cathode chamber and undergo hydrogen evolution reaction in the absence of oxygen which then increased degradation rate of RB5 as well as its electricity generation. Copyright © 2018 Elsevier Ltd. All rights reserved.

  8. Gas Phase Reactions of Ions Derived from Anionic Uranyl Formate and Uranyl Acetate Complexes

    NASA Astrophysics Data System (ADS)

    Perez, Evan; Hanley, Cassandra; Koehler, Stephen; Pestok, Jordan; Polonsky, Nevo; Van Stipdonk, Michael

    2016-12-01

    The speciation and reactivity of uranium are topics of sustained interest because of their importance to the development of nuclear fuel processing methods, and a more complete understanding of the factors that govern the mobility and fate of the element in the environment. Tandem mass spectrometry can be used to examine the intrinsic reactivity (i.e., free from influence of solvent and other condensed phase effects) of a wide range of metal ion complexes in a species-specific fashion. Here, electrospray ionization, collision-induced dissociation, and gas-phase ion-molecule reactions were used to create and characterize ions derived from precursors composed of uranyl cation (UVIO2 2+) coordinated by formate or acetate ligands. Anionic complexes containing UVIO2 2+ and formate ligands fragment by decarboxylation and elimination of CH2=O, ultimately to produce an oxo-hydride species [UVIO2(O)(H)]-. Cationic species ultimately dissociate to make [UVIO2(OH)]+. Anionic complexes containing acetate ligands exhibit an initial loss of acetyloxyl radical, CH3CO2•, with associated reduction of uranyl to UVO2 +. Subsequent CID steps cause elimination of CO2 and CH4, ultimately to produce [UVO2(O)]-. Loss of CH4 occurs by an intra-complex H+ transfer process that leaves UVO2 + coordinated by acetate and acetate enolate ligands. A subsequent dissociation step causes elimination of CH2=C=O to leave [UVO2(O)]-. Elimination of CH4 is also observed as a result of hydrolysis caused by ion-molecule reaction with H2O. The reactions of other anionic species with gas-phase H2O create hydroxyl products, presumably through the elimination of H2.

  9. Alkyl Aryl Ether Bond Formation with PhenoFluor**

    PubMed Central

    Shen, Xiao; Neumann, Constanze N.; Kleinlein, Claudia; Claudia, Nathaniel W.; Ritter, Tobias

    2015-01-01

    An alkyl aryl ether bond formation reaction between phenols and primary and secondary alcohols with PhenoFluor has been developed. The reaction features a broad substrate scope and tolerates many functional groups, and substrates that are challenging for more conventional ether bond forming processes may be coupled. A preliminary mechanistic study indicates reactivity distinct from conventional ether bond formation. PMID:25800679

  10. Spectroscopic investigation and direct comparison of the reactivities of iron pyridyl oxidation catalysts

    NASA Astrophysics Data System (ADS)

    Song, Yang; Mayes, Howard G.; Queensen, Matthew J.; Bauer, Eike B.; Dupureur, Cynthia M.

    2017-03-01

    The growing interest in green chemistry has fueled attention to the development and characterization of effective iron complex oxidation catalysts. A number of iron complexes are known to catalyze the oxidation of organic substrates utilizing peroxides as the oxidant. Their development is complicated by a lack of direct comparison of the reactivities of the iron complexes. To begin to correlate reactivity with structural elements, we compare the reactivities of a series of iron pyridyl complexes toward a single dye substrate, malachite green (MG), for which colorless oxidation products are established. Complexes with tetradentate, nitrogen-based ligands with cis open coordination sites were found to be the most reactive. While some complexes reflect sensitivity to different peroxides, others are similarly reactive with either H2O2 or tBuOOH, which suggests some mechanistic distinctions. [Fe(S,S-PDP)(CH3CN)2](SbF6)2 and [Fe(OTf)2(tpa)] transition under the oxidative reaction conditions to a single intermediate at a rate that exceeds dye degradation (PDP = bis(pyridin-2-ylmethyl) bipyrrolidine; tpa = tris(2-pyridylmethyl)amine). For the less reactive [Fe(OTf)2(dpa)] (dpa = dipicolylamine), this reaction occurs on a timescale similar to that of MG oxidation. Thus, the spectroscopic method presented herein provides information about the efficiency and mechanism of iron catalyzed oxidation reactions as well as about potential oxidative catalyst decomposition and chemical changes of the catalyst before or during the oxidation reaction.

  11. Reactivity-based industrial volatile organic compounds emission inventory and its implications for ozone control strategies in China

    NASA Astrophysics Data System (ADS)

    Liang, Xiaoming; Chen, Xiaofang; Zhang, Jiani; Shi, Tianli; Sun, Xibo; Fan, Liya; Wang, Liming; Ye, Daiqi

    2017-08-01

    Increasingly serious ozone (O3) pollution, along with decreasing NOx emission, is creating a big challenge in the control of volatile organic compounds (VOCs) in China. More efficient and effective measures are assuredly needed for controlling VOCs. In this study, a reactivity-based industrial VOCs emission inventory was established in China based on the concept of ozone formation potential (OFP). Key VOCs species, major VOCs sources, and dominant regions with high reactivity were identified. Our results show that the top 15 OFP-based species, including m/p-xylene, toluene, propene, o-xylene, and ethyl benzene, contribute 69% of the total OFP but only 30% of the total emission. The architectural decoration industry, oil refinery industry, storage and transport, and seven other sources constituted the top 10 OFP subsectors, together contributing a total of 85%. The provincial and spatial characteristics of OFP are generally consistent with those of mass-based inventory. The implications for O3 control strategies in China are discussed. We propose a reactivity-based national definition of VOCs and low-reactive substitution strategies, combined with evaluations of health risks. Priority should be given to the top 15 or more species with high reactivity through their major emission sources. Reactivity-based policies should be flexibly applied for O3 mitigation based on the sensitivity of O3 formation conditions.

  12. Novel design for transparent high-pressure fuel injector nozzles.

    PubMed

    Falgout, Z; Linne, M

    2016-08-01

    The efficiency and emissions of internal combustion (IC) engines are closely tied to the formation of the combustible air-fuel mixture. Direct-injection engines have become more common due to their increased practical flexibility and efficiency, and sprays dominate mixture formation in these engines. Spray formation, or rather the transition from a cylindrical liquid jet to a field of isolated droplets, is not completely understood. However, it is known that nozzle orifice flow and cavitation have an important effect on the formation of fuel injector sprays, even if the exact details of this effect remain unknown. A number of studies in recent years have used injectors with optically transparent nozzles (OTN) to allow observation of the nozzle orifice flow. Our goal in this work is to design various OTN concepts that mimic the flow inside commercial injector nozzles, at realistic fuel pressures, and yet still allow access to the very near nozzle region of the spray so that interior flow structure can be correlated with primary breakup dynamics. This goal has not been achieved until now because interior structures can be very complex, and the most appropriate optical materials are brittle and easily fractured by realistic fuel pressures. An OTN design that achieves realistic injection pressures and grants visual access to the interior flow and spray formation will be explained in detail. The design uses an acrylic nozzle, which is ideal for imaging the interior flow. This nozzle is supported from the outside with sapphire clamps, which reduces tensile stresses in the nozzle and increases the nozzle's injection pressure capacity. An ensemble of nozzles were mechanically tested to prove this design concept.

  13. Reactive modification of polyesters and their blends

    NASA Astrophysics Data System (ADS)

    Wan, Chen

    2004-12-01

    As part of a broader research effort to investigate the chemical modification of polyesters by reactive processing a low molecular weight (MW) unsaturated polyester (UP) and a higher MW saturated polyester, polyethylene terephthalate (PET), alone or blended with polypropylene (PP) were melt processed in a batch mixer and continuous twin screw extruders. Modification was monitored by on-line rheology and the products were characterized primarily by off-line rheology, morphology and thermal analysis. Efforts were made to establish processing/property relationships and provide an insight of the accompanying structural changes. The overall response of the reactively modified systems was found to be strongly dependent on the component characteristics, blend composition, type and concentrations of reactive additives and processing conditions. The work concluded that UP can be effectively modified through reactive melt processing. Its melt viscosity and MW can be increased through chemical reactions between organic peroxides (POX) and chain unsaturation or between MgO and carboxyl/hydroxyl end groups. Reactive blending of PP/UP blends through peroxide modification gave finer and more uniform morphology than unreacted blends and at a given PP/UP weight ratio more thermoplastic elastomers-like rheological behavior. This is due to the continuously decreasing viscosity ratio of PP/UP towards unity by the competing reactions between POX and the blend components and formation of PP-UP copolymers which serve as in-situ compatibilizers to promote better interfacial adhesion. Kinetics of the competing reactions were analyzed through a developed model. In addition to POX concentration and mixing efficiency, rheology and morphology of UP/PP bends were significantly affected by the addition of inorganic and organic coagents. Addition of coagents such as a difunctional maleimide, MgO and/or an anhydride functionalized PP during reactive blending offers effective means for tailoring

  14. STEAM FORMING NEUTRONIC REACTOR AND METHOD OF OPERATING IT

    DOEpatents

    Untermyer, S.

    1960-05-10

    The heterogeneous reactor is liquid moderated and cooled by a steam forming coolant and is designed to produce steam from the coolant directly within the active portion of the reactor while avoiding the formation of bubbles in the liquid moderator. This reactor achieves inherent stability as a result of increased neutron leakage and increased neutron resonance absorption in the U/sup 238/ fuel with the formation of bubbles. The invention produces certain conditions under which the formation of vapor bubbles as a result of a neutron flux excursion from the injection of a reactivity increment into the reactor will operate to nullify the reactivity increment within a sufficiently short period of time to prevent unsafe reactor operating conditions from developing. This is obtained by disposing a plurality of fuel elements within a mass of steam forming coolant in the core with the ratio of the volume of steam forming coolant to the volume of fissionable isotopes being within the range yielding a multiplication factor greater than unity and a negative reactivity to core void coefficient at the boiling temperature of the coolant.

  15. ¹³C Pathway Analysis for the Role of Formate in Electricity Generation by Shewanella Oneidensis MR-1 Using Lactate in Microbial Fuel Cells.

    PubMed

    Luo, Shuai; Guo, Weihua; Nealson, Kenneth H; Feng, Xueyang; He, Zhen

    2016-02-12

    Microbial fuel cell (MFC) is a promising technology for direct electricity generation from organics by microorganisms. The type of electron donors fed into MFCs affects the electrical performance, and mechanistic understanding of such effects is important to optimize the MFC performance. In this study, we used a model organism in MFCs, Shewanella oneidensis MR-1, and (13)C pathway analysis to investigate the role of formate in electricity generation and the related microbial metabolism. Our results indicated a synergistic effect of formate and lactate on electricity generation, and extra formate addition on the original lactate resulted in more electrical output than using formate or lactate as a sole electron donor. Based on the (13)C tracer analysis, we discovered decoupled cell growth and electricity generation in S. oneidensis MR-1 during co-utilization of lactate and formate (i.e., while the lactate was mainly metabolized to support the cell growth, the formate was oxidized to release electrons for higher electricity generation). To our best knowledge, this is the first time that (13)C tracer analysis was applied to study microbial metabolism in MFCs and it was demonstrated to be a valuable tool to understand the metabolic pathways affected by electron donors in the selected electrochemically-active microorganisms.

  16. Reactive power planning under high penetration of wind energy using Benders decomposition

    DOE PAGES

    Xu, Yan; Wei, Yanli; Fang, Xin; ...

    2015-11-05

    This study addresses the optimal allocation of reactive power volt-ampere reactive (VAR) sources under the paradigm of high penetration of wind energy. Reactive power planning (RPP) in this particular condition involves a high level of uncertainty because of wind power characteristic. To properly model wind generation uncertainty, a multi-scenario framework optimal power flow that considers the voltage stability constraint under the worst wind scenario and transmission N 1 contingency is developed. The objective of RPP in this study is to minimise the total cost including the VAR investment cost and the expected generation cost. Therefore RPP under this condition ismore » modelled as a two-stage stochastic programming problem to optimise the VAR location and size in one stage, then to minimise the fuel cost in the other stage, and eventually, to find the global optimal RPP results iteratively. Benders decomposition is used to solve this model with an upper level problem (master problem) for VAR allocation optimisation and a lower problem (sub-problem) for generation cost minimisation. Impact of the potential reactive power support from doubly-fed induction generator (DFIG) is also analysed. Lastly, case studies on the IEEE 14-bus and 118-bus systems are provided to verify the proposed method.« less

  17. Reactive Brazing of Carbon-Carbon Composites to Titanium

    NASA Technical Reports Server (NTRS)

    Shpargel, Tarah; Singh, M.; Morscher, Gregory; Asthana, Rajiv

    2004-01-01

    The Ti-metal/C-C composite joints were formed by reactive brazing with three commercial brazes, namely, Cu-ABA, TiCuNi, and TiCuSil. The joint microstructures were examined using optical microscopy, and scanning electron microscopy (SEM) coupled with energy dispersive spectrometry (EDS). The results of the microstructure analysis indicate solute redistribution across the joint and possible metallurgical bond formation via interdiffusion, which led to good wetting and spreading.

  18. Fast screening of analytes for chemical reactions by reactive low-temperature plasma ionization mass spectrometry.

    PubMed

    Zhang, Wei; Huang, Guangming

    2015-11-15

    Approaches for analyte screening have been used to aid in the fine-tuning of chemical reactions. Herein, we present a simple and straightforward analyte screening method for chemical reactions via reactive low-temperature plasma ionization mass spectrometry (reactive LTP-MS). Solution-phase reagents deposited on sample substrates were desorbed into the vapor phase by action of the LTP and by thermal desorption. Treated with LTP, both reagents reacted through a vapor phase ion/molecule reaction to generate the product. Finally, protonated reagents and products were identified by LTP-MS. Reaction products from imine formation reaction, Eschweiler-Clarke methylation and the Eberlin reaction were detected via reactive LTP-MS. Products from the imine formation reaction with reagents substituted with different functional groups (26 out of 28 trials) were successfully screened in a time of 30 s each. Besides, two short-lived reactive intermediates of Eschweiler-Clarke methylation were also detected. LTP in this study serves both as an ambient ionization source for analyte identification (including reagents, intermediates and products) and as a means to produce reagent ions to assist gas-phase ion/molecule reactions. The present reactive LTP-MS method enables fast screening for several analytes from several chemical reactions, which possesses good reagent compatibility and the potential to perform high-throughput analyte screening. In addition, with the detection of various reactive intermediates (intermediates I and II of Eschweiler-Clarke methylation), the present method would also contribute to revealing and elucidating reaction mechanisms. Copyright © 2015 John Wiley & Sons, Ltd.

  19. Improving the chemical compatibility of sealing glass for solid oxide fuel cells: Blocking the reactive species by controlled crystallization

    NASA Astrophysics Data System (ADS)

    Zhang, Teng; Zou, Qi; Zeng, Fanrong; Wang, Shaorong; Tang, Dian; Yang, Hiswen

    2012-10-01

    The chemical compatibility of sealing glass is of great importance for Solid oxide fuel cell (SOFC). In this work, the interfacial reaction between sealing glass and Cr-containing interconnect alloy is characterized by reacting Cr2O3 powders with a representative SrO-containing glass crystallized by different heat-treatment schedules. The crystalline structure and crystalline content of sealing glass are determined by X-ray diffraction. The results show that the fraction of Cr6+ decreases from 39.8 ± 1.9% for quenched glass to 8.2 ± 0.4% for glass crystallized at 900 °C for 2 h. In addition, the interfacial reaction can be further reduced with increasing crystallization temperature and time as well as the addition of nucleation agent (TiO2). The formation of some Sr-containing crystalline phases, Sr2SiO4 and Sr(TiO3), contributes to the improvement of chemical compatibility of sealing glass, in agreement with the results of thermodynamic calculations.

  20. Neutronics Studies of Uranium-bearing Fully Ceramic Micro-encapsulated Fuel for PWRs

    DOE PAGES

    George, Nathan M.; Maldonado, G. Ivan; Terrani, Kurt A.; ...

    2014-12-01

    Our study evaluated the neutronics and some of the fuel cycle characteristics of using uranium-based fully ceramic microencapsulated (FCM) fuel in a pressurized water reactor (PWR). Specific PWR lattice designs with FCM fuel have been developed that are expected to achieve higher specific burnup levels in the fuel while also increasing the tolerance to reactor accidents. The SCALE software system was the primary analysis tool used to model the lattice designs. A parametric study was performed by varying tristructural isotropic particle design features (e.g., kernel diameter, coating layer thicknesses, and packing fraction) to understand the impact on reactivity and resultingmore » operating cycle length. Moreover, to match the lifetime of an 18-month PWR cycle, the FCM particle fuel design required roughly 10% additional fissile material at beginning of life compared with that of a standard uranium dioxide (UO 2) rod. Uranium mononitride proved to be a favorable fuel for the fuel kernel due to its higher heavy metal loading density compared with UO 2. The FCM fuel designs evaluated maintain acceptable neutronics design features for fuel lifetime, lattice peaking factors, and nonproliferation figure of merit.« less