Molecular Dynamics Study of Water Flow across Multiple Layers of Pristine, Oxidized, and Mixed Regions of Graphene Oxide.

PubMed

Willcox, Jon A L; Kim, Hyung J

2017-02-28

A molecular dynamics graphene oxide model is used to shed light on commonly overlooked features of graphene oxide membranes. The model features both perpendicular and parallel water flow across multiple sheets of pristine and/or oxidized graphene to simulate "brick-and-mortar" microstructures. Additionally, regions of pristine/oxidized graphene overlap that have thus far been overlooked in the literature are explored. Differences in orientational and hydrogen-bonding features between adjacent layers of water in this mixed region are found to be even more prominent than differences between pristine and oxidized channels. This region also shows lateral water flow in equilibrium simulations and orthogonal flow in non-equilibrium simulations significantly greater than those in the oxidized region, suggesting it may play a non-negligible role in the mechanism of water flow across graphene oxide membranes.

Microstructural modeling of thermal conductivity of high burn-up mixed oxide fuel

NASA Astrophysics Data System (ADS)

Teague, Melissa; Tonks, Michael; Novascone, Stephen; Hayes, Steven

2014-01-01

Predicting the thermal conductivity of oxide fuels as a function of burn-up and temperature is fundamental to the efficient and safe operation of nuclear reactors. However, modeling the thermal conductivity of fuel is greatly complicated by the radially inhomogeneous nature of irradiated fuel in both composition and microstructure. In this work, radially and temperature-dependent models for effective thermal conductivity were developed utilizing optical micrographs of high burn-up mixed oxide fuel. The micrographs were employed to create finite element meshes with the OOF2 software. The meshes were then used to calculate the effective thermal conductivity of the microstructures using the BISON [1] fuel performance code. The new thermal conductivity models were used to calculate thermal profiles at end of life for the fuel pellets. These results were compared to thermal conductivity models from the literature, and comparison between the new finite element-based thermal conductivity model and the Duriez-Lucuta model was favorable.

The role of the CeO 2 /BiVO 4 interface in optimized Fe–Ce oxide coatings for solar fuels photoanodes

DOE PAGES

Shinde, A.; Li, G.; Zhou, L.; ...

2016-09-09

Solar fuel generators entail a high degree of materials integration, and efficient photoelectrocatalysis of the constituent reactions hinges upon the establishment of highly functional interfaces. Our recent application of high throughput experimentation to interface discovery for solar fuels photoanodes has revealed several surprising and promising mixed-metal oxide coatings for BiVO 4. Furthermore, when using sputter deposition of composition and thickness gradients on a uniform BiVO 4 film, we systematically explore photoanodic performance as a function of the composition and loading of Fe–Ce oxide coatings. This combinatorial materials integration study not only enhances the performance of this new class of materialsmore » but also identifies CeO 2 as a critical ingredient that merits detailed study. A heteroepitaxial CeO 2(001)/BiVO4(010) interface is identified in which Bi and V remain fully coordinated to O such that no surface states are formed. Ab initio calculations of the integrated materials and inspection of the electronic structure reveals mechanisms by which CeO 2 facilitates charge transport while mitigating deleterious recombination. Our results support the observations that addition of Ce to BiVO 4 coatings greatly enhances photoelectrocatalytic activity, providing an important strategy for developing a scalable solar fuels technology.« less

Issues in the use of Weapons-Grade MOX Fuel in VVER-1000 Nuclear Reactors: Comparison of UO2 and MOX Fuels

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

Carbajo, J.J.

2005-05-27

The purpose of this report is to quantify the differences between mixed oxide (MOX) and low-enriched uranium (LEU) fuels and to assess in reasonable detail the potential impacts of MOX fuel use in VVER-1000 nuclear power plants in Russia. This report is a generic tool to assist in the identification of plant modifications that may be required to accommodate receiving, storing, handling, irradiating, and disposing of MOX fuel in VVER-1000 reactors. The report is based on information from work performed by Russian and U.S. institutions. The report quantifies each issue, and the differences between LEU and MOX fuels are describedmore » as accurately as possible, given the current sources of data.« less

Oxygen potentials of mixed oxide fuels for fast reactors

NASA Astrophysics Data System (ADS)

Kato, M.; Tamura, T.; Konashi, K.

2009-03-01

Oxygen potentials of homogenous (Pu0.2U0.8)O2-x and (Am0.02Pu0.30Np0.02U0.66)O2-x which have been developed as fuels for fast breeder reactors were measured at temperatures of 1473-1623 K by a gas equilibrium method using an (Ar, H2, H2O) gas mixture. The measured oxygen potentials of (Pu0.2U0.8)O2-x were about 25 kJ mol-1 lower than those of (Pu0.3U0.7)O2-x measured previously and were consistent with the values calculated by Besmann and Lindemer's model. The measured oxygen potentials of (Am0.02Pu0.30Np0.02U0.66)O2-x were slightly higher than those of MOX without minor actinides. No fuel-cladding chemical interaction is affected significantly by adding their minor actinides.

The Raman fingerprint of plutonium dioxide: Some example applications for the detection of PuO2 in host matrices

NASA Astrophysics Data System (ADS)

Manara, D.; Naji, M.; Mastromarino, S.; Elorrieta, J. M.; Magnani, N.; Martel, L.; Colle, J.-Y.

2018-02-01

Some example applications are presented, in which the peculiar Raman fingerprint of PuO2 can be used for the detection of crystalline Pu4+ with cubic symmetry in an oxide environment in various host materials, like mixed oxide fuels, inert matrices and corium sub-systems. The PuO2 Raman fingerprint was previously observed to consist of one main T2g vibrational mode at 478 cm-1 and two crystal electric field transition lines at 2130 cm-1 and 2610 cm-1. This particular use of Raman spectroscopy is promising for applications in nuclear waste management, safety and safeguard.

Microstructural Modeling of Thermal Conductivity of High Burn-up Mixed Oxide Fuel

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

Melissa Teague; Michael Tonks; Stephen Novascone

2014-01-01

Predicting the thermal conductivity of oxide fuels as a function of burn-up and temperature is fundamental to the efficient and safe operation of nuclear reactors. However, modeling the thermal conductivity of fuel is greatly complicated by the radially inhomogeneous nature of irradiated fuel in both composition and microstructure. In this work, radially and temperature-dependent models for effective thermal conductivity were developed utilizing optical micrographs of high burn-up mixed oxide fuel. The micrographs were employed to create finite element meshes with the OOF2 software. The meshes were then used to calculate the effective thermal conductivity of the microstructures using the BISONmore » fuel performance code. The new thermal conductivity models were used to calculate thermal profiles at end of life for the fuel pellets. These results were compared to thermal conductivity models from the literature, and comparison between the new finite element-based thermal conductivity model and the Duriez–Lucuta model was favorable.« less

Regenerable mixed copper-iron-inert support oxygen carriers for solid fuel chemical looping combustion process

DOEpatents

Siriwardane, Ranjani V.; Tian, Hanjing

2016-12-20

The disclosure provides an oxygen carrier for a chemical looping cycle, such as the chemical looping combustion of solid carbonaceous fuels, such as coal, coke, coal and biomass char, and the like. The oxygen carrier is comprised of at least 24 weight % (wt %) CuO, at least 10 wt % Fe2O3, and an inert support, and is typically a calcine. The oxygen carrier exhibits a CuO crystalline structure and an absence of iron oxide crystalline structures under XRD crystallography, and provides an improved and sustained combustion reactivity in the temperature range of 600.degree. C.-1000.degree. C. particularly for solid fuels such as carbon and coal.

Rational Design of Mixed-Metal Oxides for Chemical Looping Combustion of Coal via Coupled Computational-Experimental Studies

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

Mishra, Amit; Li, Fanxing; Santiso, Erik

Energy and global climate change are two grand challenges to the modern society. An urgent need exists for development of clean and efficient energy conversion processes. The chemical looping strategy, which utilizes regenerable oxygen carriers (OCs) to indirectly convert carbonaceous fuels via redox reactions, is considered to be one of the more promising approaches for CO2 capture by the U.S. Department of Energy (USDOE). To date, most long-term chemical looping operations were conducted using gaseous fuels, even though direct conversion of coal is more desirable from both economics and CO2 capture viewpoints. The main challenges for direct coal conversion residemore » in the stringent requirements on oxygen carrier performances. In addition, coal char and volatile compounds are more challenging to convert than gaseous fuels. A promising approach for direct conversion of coal is the so called chemical looping with oxygen uncoupling (CLOU) technique. In the CLOU process, a metal oxide that decomposes at the looping temperature, and releases oxygen to the gas phase is used as the OC. The overarching objective of this project was to discover the fundamental principles for rational design and optimization of oxygen carriers (OC) in coal chemical looping combustion (CLC) processes. It directly addresses Topic Area B of the funding opportunity announcement (FOA) in terms of “predictive description of the phase behavior and mechanical properties” of “mixed metal oxide” based OCs and rational development of new OC materials with superior functionality. This was achieved through studies exploring i) iron-containing mixed-oxide composites as oxygen carriers for CLOU, ii) Ca1-xAxMnO3-δ (A = Sr and Ba) as oxygen carriers for CLOU, iii) CaMn1-xBxO3-δ (B=Al, V, Fe, Co, and Ni) as oxygen carrier for CLOU and iv) vacancy creation energy in Mn-containing perovskites as an indicator chemical looping with oxygen uncoupling.« less

Atomistic simulations of materials: Methods for accurate potentials and realistic time scales

NASA Astrophysics Data System (ADS)

Tiwary, Pratyush

This thesis deals with achieving more realistic atomistic simulations of materials, by developing accurate and robust force-fields, and algorithms for practical time scales. I develop a formalism for generating interatomic potentials for simulating atomistic phenomena occurring at energy scales ranging from lattice vibrations to crystal defects to high-energy collisions. This is done by fitting against an extensive database of ab initio results, as well as to experimental measurements for mixed oxide nuclear fuels. The applicability of these interactions to a variety of mixed environments beyond the fitting domain is also assessed. The employed formalism makes these potentials applicable across all interatomic distances without the need for any ambiguous splining to the well-established short-range Ziegler-Biersack-Littmark universal pair potential. We expect these to be reliable potentials for carrying out damage simulations (and molecular dynamics simulations in general) in nuclear fuels of varying compositions for all relevant atomic collision energies. A hybrid stochastic and deterministic algorithm is proposed that while maintaining fully atomistic resolution, allows one to achieve milliseconds and longer time scales for several thousands of atoms. The method exploits the rare event nature of the dynamics like other such methods, but goes beyond them by (i) not having to pick a scheme for biasing the energy landscape, (ii) providing control on the accuracy of the boosted time scale, (iii) not assuming any harmonic transition state theory (HTST), and (iv) not having to identify collective coordinates or interesting degrees of freedom. The method is validated by calculating diffusion constants for vacancy-mediated diffusion in iron metal at low temperatures, and comparing against brute-force high temperature molecular dynamics. We also calculate diffusion constants for vacancy diffusion in tantalum metal, where we compare against low-temperature HTST as well. The robustness of the algorithm with respect to the only free parameter it involves is ascertained. The method is then applied to perform tensile tests on gold nanopillars on strain rates as low as 100/s, bringing out the perils of high strain-rate molecular dynamics calculations. We also calculate temperature and stress dependence of activation free energy for surface nucleation of dislocations in pristine gold nanopillars under realistic loads. While maintaining fully atomistic resolution, we reach the fraction-of-a-second time scale regime. It is found that the activation free energy depends significantly and nonlinearly on the driving force (stress or strain) and temperature, leading to very high activation entropies for surface dislocation nucleation.

Comparative analysis of LWR and FBR spent fuels for nuclear forensics evaluation

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

Permana, Sidik; Suzuki, Mitsutoshi; Su'ud, Zaki

2012-06-06

Some interesting issues are attributed to nuclide compositions of spent fuels from thermal reactors as well as fast reactors such as a potential to reuse as recycled fuel, and a possible capability to be manage as a fuel for destructive devices. In addition, analysis on nuclear forensics which is related to spent fuel compositions becomes one of the interesting topics to evaluate the origin and the composition of spent fuels from the spent fuel foot-prints. Spent fuel compositions of different fuel types give some typical spent fuel foot prints and can be estimated the origin of source of those spentmore » fuel compositions. Some technics or methods have been developing based on some science and technological capability including experimental and modeling or theoretical aspects of analyses. Some foot-print of nuclear forensics will identify the typical information of spent fuel compositions such as enrichment information, burnup or irradiation time, reactor types as well as the cooling time which is related to the age of spent fuels. This paper intends to evaluate the typical spent fuel compositions of light water (LWR) and fast breeder reactors (FBR) from the view point of some foot prints of nuclear forensics. An established depletion code of ORIGEN is adopted to analyze LWR spent fuel (SF) for several burnup constants and decay times. For analyzing some spent fuel compositions of FBR, some coupling codes such as SLAROM code, JOINT and CITATION codes including JFS-3-J-3.2R as nuclear data library have been adopted. Enriched U-235 fuel composition of oxide type is used for fresh fuel of LWR and a mixed oxide fuel (MOX) for FBR fresh fuel. Those MOX fuels of FBR come from the spent fuels of LWR. Some typical spent fuels from both LWR and FBR will be compared to distinguish some typical foot-prints of SF based on nuclear forensic analysis.« less

The behaviour of transuranic mixed oxide fuel in a Candu-900 reactor

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

Morreale, A. C.; Ball, M. R.; Novog, D. R.

2012-07-01

The production of transuranic actinide fuels for use in current thermal reactors provides a useful intermediary step in closing the nuclear fuel cycle. Extraction of actinides reduces the longevity, radiation and heat loads of spent material. The burning of transuranic fuels in current reactors for a limited amount of cycles reduces the infrastructure demand for fast reactors and provides an effective synergy that can result in a reduction of as much as 95% of spent fuel waste while reducing the fast reactor infrastructure needed by a factor of almost 13.5 [1]. This paper examines the features of actinide mixed oxidemore » fuel, TRUMOX, in a CANDU{sup R}* nuclear reactor. The actinide concentrations used were based on extraction from 30 year cooled spent fuel and mixed with natural uranium in 3.1 wt% actinide MOX fuel. Full lattice cell modeling was performed using the WIMS-AECL code, super-cell calculations were analyzed in DRAGON and full core analysis was executed in the RFSP 2-group diffusion code. A time-average full core model was produced and analyzed for reactor coefficients, reactivity device worth and online fuelling impacts. The standard CANDU operational limits were maintained throughout operations. The TRUMOX fuel design achieved a burnup of 27.36 MWd/kg HE. A full TRUMOX fuelled CANDU was shown to operate within acceptable limits and provided a viable intermediary step for burning actinides. The recycling, reprocessing and reuse of spent fuels produces a much more sustainable and efficient nuclear fuel cycle. (authors)« less

Experimental Investigation of Performance and emission characteristics of Various Nano Particles with Bio-Diesel blend on Di Diesel Engine

NASA Astrophysics Data System (ADS)

Karthik, N.; Goldwin Xavier, X.; Rajasekar, R.; Ganesh Bairavan, P.; Dhanseelan, S.

2017-05-01

Present study provides the effect of Zinc Oxide (ZnO) and Cerium Oxide (CeO2) nanoparticles additives on the Performance and emission uniqueness of Jatropha. Jatropha blended fuel is prepared by the emulsification technique with assist of mechanical agitator. Nano particles (Zinc Oxide (ZnO)) and Cerium Oxide (CeO2)) mixed with Jatropha blended fuel in mass fraction (100 ppm) with assist of an ultrasonicator. Experiments were conducted in single cylinder constant speed direct injection diesel engine for various test fuels. Performance results revealed that Brake Thermal Efficiency (BTE) of Jatropha blended Cerium Oxide (B20CE) is 3% and 11% higher than Jatropha blended zinc oxide (B20ZO) and Jatropha blended fuel (B20) and 4% lower than diesel fuel (D100) at full load conditions. Emission result shows that HC and CO emissions of Jatropha blended Cerium Oxide (B20CE) are (6%, 22%, 11% and 6%, 15%, 12%) less compared with Jatropha blended Zinc Oxide (B20ZO), diesel (D100) and Jatropha blended fuel (B20) at full load conditions. NOx emissions of Jatropha blended Cerium Oxide is 1 % higher than diesel fuel (D100) and 2% and 5% lower than Jatropha blended Zinc Oxide, and jatropha blended fuel.

Calibration of the Lawrence Livermore National Laboratory Passive-Active Neutron Drum Shuffler for Measurement of Highly Enriched Uranium in Oxides within DOE-STD-3013-2000 Containers

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

Mount, M E; O'Connell, W J

2005-06-03

Lawrence Livermore National Laboratory (LLNL) uses the LLNL passive-active neutron drum (PAN) shuffler (Canberra Model JCC-92) for accountability measurement of highly enriched uranium (HEU) oxide and HEU in mixed uranium-plutonium (U-Pu) oxide. In June 2002, at the 43rd Annual Meeting of the Institute of Nuclear Material Management, LLNL reported on an extensive effort to calibrate this shuffler, based on standards measurements and extensive simulations, for HEU oxides and mixed U-Pu oxides in thin-walled primary and secondary containers. In August 2002, LLNL began to also use DOE-STD-3013-2000 containers for HEU oxide and mixed U-Pu oxide. These DOE-STD-3013-2000 containers are comprised ofmore » a stainless steel convenience can enclosed in welded stainless steel primary and secondary containers. Compared to the double thin-walled containers, the DOE-STD-3013-2000 containers have substantially thicker walls, and the density of materials in these containers was found to extend over a greater range (1.35 g/cm{sup 3} to 4.62 g/cm{sup 3}) than foreseen for the double thin-walled containers. Further, the DOE-STD-3013-2000 Standard allows for oxides containing at least 30 wt% Pu plus U whereas the calibration algorithms for thin-walled containers were derived for virtually pure HEU or mixed U-Pu oxides. An initial series of Monte Carlo simulations of the PAN shuffler response to given quantities of HEU oxide and mixed U-Pu oxide in DOE-STD-3013-2000 containers was generated and compared with the response predicted by the calibration algorithms for thin-walled containers. Results showed a decrease on the order of 10% in the count rate, and hence a decrease in the calculated U mass for measured unknowns, with some varying trends versus U mass. Therefore a decision was made to develop a calibration algorithm for the PAN shuffler unique to the DOE-STD-3013-2000 container. This paper describes that effort and selected unknown item measurement results.« less

Performance evaluation of a biodiesel fuelled transportation engine retrofitted with a non-noble metal catalysed diesel oxidation catalyst for controlling unregulated emissions.

PubMed

Shukla, Pravesh Chandra; Gupta, Tarun; Agarwal, Avinash Kumar

2018-02-15

In present study, engine exhaust was sampled for measurement and analysis of unregulated emissions from a four cylinder transportation diesel engine using a state-of-the-art FTIR (Fourier transform infrared spectroscopy) emission analyzer. Test fuels used were Karanja biodiesel blend (B20) and baseline mineral diesel. Real-time emission measurements were performed for raw exhaust as well as exhaust sampled downstream of the two in-house prepared non-noble metal based diesel oxidation catalysts (DOCs) and a baseline commercial DOC based on noble metals. Two prepared non-noble metal based DOCs were based on Co-Ce mixed oxide and Lanthanum based perovskite catalysts. Perovskite based DOC performed superior compared to Co-Ce mixed oxide catalyst based DOC. Commercial noble metal based DOC was found to be the most effective in reducing unregulated hydrocarbon emissions in the engine exhaust, followed by the two in-house prepared non-noble metal based DOCs. Copyright © 2017 Elsevier B.V. All rights reserved.

A Finite Length Cylinder Model for Mixed Oxide-Ion and Electron Conducting Cathodes Suited for Intermediate-Temperature Solid Oxide Fuel Cells

DOE PAGES

Jin, Xinfang; Wang, Jie; Jiang, Long; ...

2016-03-25

A physics-based model is presented to simulate the electrochemical behavior of mixed ion and electron conducting (MIEC) cathodes for intermediate-temperature solid oxide fuel cells. Analytic solutions for both transient and impedance models based on a finite length cylinder are derived. These solutions are compared to their infinite length counterparts. The impedance solution is also compared to experimental electrochemical impedance spectroscopy data obtained from both a traditional well-established La 0.6Sr 0.4Co 0.2Fe 0.8O 3-δ (LSCF) cathode and a new SrCo 0.9Nb 0.1O 3-δ (SCN) porous cathode. Lastly, the impedance simulations agree well with the experimental values, demonstrating that the new modelsmore » can be used to extract electro-kinetic parameters of MIEC SOFC cathodes.« less

Quantification of rare earth elements using laser-induced breakdown spectroscopy

DOE PAGES

Martin, Madhavi; Martin, Rodger C.; Allman, Steve; ...

2015-10-21

In this paper, a study of the optical emission as a function of concentration of laser-ablated yttrium (Y) and of six rare earth elements, europium (Eu), gadolinium (Gd), lanthanum (La), praseodymium (Pr), neodymium (Nd), and samarium (Sm), has been evaluated using the laser-induced breakdown spectroscopy (LIBS) technique. Statistical methodology using multivariate analysis has been used to obtain the sampling errors, coefficient of regression, calibration, and cross-validation of measurements as they relate to the LIBS analysis in graphite-matrix pellets that were doped with elements at several concentrations. Each element (in oxide form) was mixed in the graphite matrix in percentages rangingmore » from 1% to 50% by weight and the LIBS spectra obtained for each composition as well as for pure oxide samples. Finally, a single pellet was mixed with all the elements in equal oxide masses to determine if we can identify the elemental peaks in a mixed pellet. This dataset is relevant for future application to studies of fission product content and distribution in irradiated nuclear fuels. These results demonstrate that LIBS technique is inherently well suited for the future challenge of in situ analysis of nuclear materials. Finally, these studies also show that LIBS spectral analysis using statistical methodology can provide quantitative results and suggest an approach in future to the far more challenging multielemental analysis of ~ 20 primary elements in high-burnup nuclear reactor fuel.« less

Development of probabilistic design method for annular fuels

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

Ozawa, Takayuki

2007-07-01

The increase of linear power and burn-up during the reactor operation is considered as one measure to ensure the utility of fast reactors in the future; for this the application of annular oxide fuels is under consideration. The annular fuel design code CEPTAR was developed in the Japan Atomic Energy Agency (JAEA) and verified by using many irradiation experiences with oxide fuels. In addition, the probabilistic fuel design code BORNFREE was also developed to provide a safe and reasonable fuel design and to evaluate the design margins quantitatively. This study aimed at the development of a probabilistic design method formore » annular oxide fuels; this was implemented in the developed BORNFREE-CEPTAR code, and the code was used to make a probabilistic evaluation with regard to the permissive linear power. (author)« less

Alternative photocatalysts to TiO2 for the photocatalytic reduction of CO2

NASA Astrophysics Data System (ADS)

Nikokavoura, Aspasia; Trapalis, Christos

2017-01-01

The increased concentration of CO2 in the atmosphere, originating from the burning of fossil fuels in stationary and mobile sources, is referred as the "Anthropogenic Greenhouse Effect" and constitutes a major environmental concern. The scientific community is highly concerned about the resulting enhancement of the mean atmospheric temperature, so a vast diversity of methods has been applied. Thermochemical, electrochemical, photocatalytic, photoelectrochemical processes, as well as combination of solar electricity generation and water splitting processes have been performed in order to lower the CO2 atmospheric levels. Photocatalytic methods are environmental friendly and succeed in reducing the atmospheric CO2 concentration and producing fuels or/and useful organic compounds at the same time. The most common photocatalysts for the CO2 reduction are the inorganic, the carbon based semiconductors and the hybrids based on semiconductors, which combine stability, low cost and appropriate structure in order to accomplish redox reactions. In this review, inorganic semiconductors such as single-metal oxide, mixed-metal oxides, metal oxide composites, layered double hydroxides (LDHs), salt composites, carbon based semiconductors such as graphene based composites, CNT composites, g-C3N4 composites and hybrid organic-inorganic materials (ZIFs) were studied. TiO2 and Ti based photocatalysts are extensively studied and therefore in this review they are not mentioned.

Ordered Fe(II)Ti(IV)O3 Mixed Monolayer Oxide on Rutile TiO2(011).

PubMed

Halpegamage, Sandamali; Ding, Pan; Gong, Xue-Qing; Batzill, Matthias

2015-08-25

Oxide monolayers supported or intermixed with an oxide support are potential nanocatalysts whose properties are determined by the interplay with the support. For fundamental studies of monolayer oxides on metal oxide supports, well-defined systems are needed, but so far, the synthesis of monolayer oxides with long-range order on single-crystal oxide surfaces is rare. Here, we show by a combination of scanning tunneling microscopy, photoemission spectroscopy, and density functional theory (DFT)-based computational analysis that the rutile TiO2(011) surface supports the formation of an ordered mixed FeTiO3 monolayer. Deposition of iron in a slightly oxidizing atmosphere (10(-8) Torr O2) and annealing to 300 °C results in a well-ordered surface structure with Fe in a 2+ charge state and Ti in a 4+ charge states. Low-energy ion scattering suggests that the cation surface composition is close to half Fe and half Ti. This surface is stable in ultrahigh vacuum to annealing temperatures of 300 °C before the iron is reduced. DFT simulations confirm that a surface structure with coverage of 50% FeO units is stable and forms an ordered structure. Although distinct from known bulk phases of the iron-titanium oxide systems, the FeTiO3 monolayer exhibits some resemblance to the ilmenite structure, which may suggest that a variety of different mixed oxide phases (of systems that exist in a bulk ilmenite phase) may be synthesized in this way on the rutile TiO2(011) substrate.

High-Temperature Desulfurization of Heavy Fuel-Derived Reformate Gas Streams for SOFC Applications

NASA Technical Reports Server (NTRS)

Flytzani-Stephanopoulos, Maria; Surgenor, Angela D.

2007-01-01

Desulfurization of the hot reformate gas produced by catalytic partial oxidation or autothermal reforming of heavy fuels, such as JP-8 and jet fuels, is required prior to using the gas in a solid oxide fuel cell (SOFC). Development of suitable sorbent materials involves the identification of sorbents with favorable sulfidation equilibria, good kinetics, and high structural stability and regenerability at the SOFC operating temperatures (650 to 800 C). Over the last two decades, a major barrier to the development of regenerable desulfurization sorbents has been the gradual loss of sorbent performance in cyclic sulfidation and regeneration at such high temperatures. Mixed oxide compositions based on ceria were examined in this work as regenerable sorbents in simulated reformate gas mixtures and temperatures greater than 650 C. Regeneration was carried out with dilute oxygen streams. We have shown that under oxidative regeneration conditions, high regeneration space velocities (greater than 80,000 h(sup -1)) can be used to suppress sulfate formation and shorten the total time required for sorbent regeneration. A major finding of this work is that the surface of ceria and lanthanan sorbents can be sulfided and regenerated completely, independent of the underlying bulk sorbent. This is due to reversible adsorption of H2S on the surface of these sorbents even at temperatures as high as 800 C. La-rich cerium oxide formulations are excellent for application to regenerative H2S removal from reformate gas streams at 650 to 800 C. These results create new opportunities for compact sorber/regenerator reactor designs to meet the requirements of solid oxide fuel cell systems at any scale.

Plutonium-uranium mixed oxide characterization by coupling micro-X-ray diffraction and absorption investigations

NASA Astrophysics Data System (ADS)

Degueldre, C.; Martin, M.; Kuri, G.; Grolimund, D.; Borca, C.

2011-09-01

Plutonium-uranium mixed oxide (MOX) fuels are currently used in nuclear reactors. The potential differences of metal redox state and microstructural developments of the matrix before and after irradiation are commonly analysed by electron probe microanalysis. In this work the structure and next-neighbor atomic environments of Pu and U oxide features within unirradiated homogeneous MOX and irradiated (60 MW d kg -1) MOX samples was analysed by micro-X-ray fluorescence (μ-XRF), micro-X-ray diffraction (μ-XRD) and micro-X-ray absorption fine structure (μ-XAFS) spectroscopy. The grain properties, chemical bonding, valences and stoichiometry of Pu and U are determined from the experimental data gained for the unirradiated as well as for irradiated fuel material examined in the center of the fuel as well as in its peripheral zone (rim). The formation of sub-grains is observed as well as their development from the center to the rim (polygonization). In the irradiated sample Pu remains tetravalent (>95%) and no (<5%) Pu(V) or Pu(VI) can be detected while the fuel could undergo slight oxidation in the rim zone. Any slight potential plutonium oxidation is buffered by the uranium dioxide matrix while locally fuel cladding interaction could also affect the redox of the fuel.

Nitrogen oxides from burning forest fuels examined by thermogravimetry and evolved gas analysis

Treesearch

H.B. Clements; Charles K. McMahon

1980-01-01

Abstract. Twelve forest fuels that varied widely in nitrogen content were burned in a thermogravimetric system, and nitrogen oxide production was analyzed by chemiluminescence. The effects of fuel nitrogen concentration, available oxygen, flow rate, and heating rate on nitrogen oxide production were examined.Results show that fuel nitrogen is an...

Combustion of coal gas fuels in a staged combustor

NASA Technical Reports Server (NTRS)

Rosfjord, T. J.; Mcvey, J. B.; Sederquist, R. A.; Schultz, D. F.

1982-01-01

Gaseous fuels produced from coal resources generally have heating values much lower than natural gas; the low heating value could result in unstable or inefficient combustion. Coal gas fuels may contain ammonia which if oxidized in an uncontrolled manner could result in unacceptable nitrogen oxide exhaust emission levels. Previous investigations indicate that staged, rich-lean combustion represents a desirable approach to achieve stable, efficient, low nitrogen oxide emission operation for coal-derived liquid fuels contaning up to 0.8-wt pct nitrogen. An experimental program was conducted to determine whether this fuel tolerance can be extended to include coal-derived gaseous fuels. The results of tests with three nitrogen-free fuels having heating values of 100, 250, and 350 Btu/scf and a 250 Btu/scf heating value doped to contain 0.7 pct ammonia are presented.

Effective delayed neutron fraction and prompt neutron lifetime of Tehran research reactor mixed-core.

PubMed

Lashkari, A; Khalafi, H; Kazeminejad, H

2013-05-01

In this work, kinetic parameters of Tehran research reactor (TRR) mixed cores have been calculated. The mixed core configurations are made by replacement of the low enriched uranium control fuel elements with highly enriched uranium control fuel elements in the reference core. The MTR_PC package, a nuclear reactor analysis tool, is used to perform the analysis. Simulations were carried out to compute effective delayed neutron fraction and prompt neutron lifetime. Calculation of kinetic parameters is necessary for reactivity and power excursion transient analysis. The results of this research show that effective delayed neutron fraction decreases and prompt neutron lifetime increases with the fuels burn-up. Also, by increasing the number of highly enriched uranium control fuel elements in the reference core, the prompt neutron lifetime increases, but effective delayed neutron fraction does not show any considerable change.

Investigation into the effects of sulfur on syngas reforming inside a solid oxide fuel cell

NASA Astrophysics Data System (ADS)

Li, Ting Shuai; Xu, Min; Gao, Chongxin; Wang, Baoqing; Liu, Xiyun; Li, Baihai; Wang, Wei Guo

2014-07-01

The electrochemical performance and long-term durability of a solid oxide fuel cell have been evaluated with a simulated coal syngas containing 2 ppm H2S as fuel. The resulting impedance spectra indicate that no observable power loss is caused by the addition of 2 ppm H2S, and the cell shows stability of nearly 500 h at 0.625 A cm-2. The composition of mixed gas is analyzed both at a current load of 0.625 A cm-2 and open circuit state. Hydrogen and carbon monoxide are directly consumed as fuels at the anode side, whereas methane stays unchanged during the operation. It seems the internal carbohydrate reforming and impurity poisoning interacts and weakens the poisoning effects. The oxidation of H2 and the water gas shift reaction take advantages over methane reforming at the cell operational conditions.

Low-temperature Ignition-delay Characteristics of Several Rocket Fuels with Mixed Acid in Modified Open-cup-type Apparatus

NASA Technical Reports Server (NTRS)

Miller, Riley O

1950-01-01

Summaries of low-temperature self-ignition data of various rocket fuels with mixed acid (nitric plus sulfuric) are presented. Several fuels are shown to have shorter ignition-delay intervals and less variation in delay intervals at moderate and sub-zero temperatures than crude N-ethylaniline (monoethylaniline),a rocket fuel in current use.

Pyroprocessing of Light Water Reactor Spent Fuels Based on an Electrochemical Reduction Technology

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

Ohta, Hirokazu; Inoue, Tadashi; Sakamura, Yoshiharu

A concept of pyroprocessing light water reactor (LWR) spent fuels based on an electrochemical reduction technology is proposed, and the material balance of the processing of mixed oxide (MOX) or high-burnup uranium oxide (UO{sub 2}) spent fuel is evaluated. Furthermore, a burnup analysis for metal fuel fast breeder reactors (FBRs) is conducted on low-decontamination materials recovered by pyroprocessing. In the case of processing MOX spent fuel (40 GWd/t), UO{sub 2} is separately collected for {approx}60 wt% of the spent fuel in advance of the electrochemical reduction step, and the product recovered through the rare earth (RE) removal step, which hasmore » the composition uranium:plutonium:minor actinides:fission products (FPs) = 76.4:18.4:1.7:3.5, can be applied as an ingredient of FBR metal fuel without a further decontamination process. On the other hand, the electroreduced alloy of high-burnup UO{sub 2} spent fuel (48 GWd/t) requires further decontamination of residual FPs by an additional process such as electrorefining even if RE FPs are removed from the alloy because the recovered plutonium (Pu) is accompanied by almost the same amount of FPs in addition to RE. However, the amount of treated materials in the electrorefining step is reduced to {approx}10 wt% of the total spent fuel owing to the prior UO{sub 2} recovery step. These results reveal that the application of electrochemical reduction technology to LWR spent oxide fuel is a promising concept for providing FBR metal fuel by a rationalized process.« less

Highlights from Faraday Discussion 182: Solid Oxide Electrolysis: Fuels and Feedstocks from Water and Air, York, UK, July 2015.

PubMed

Stefan, Elena; Norby, Truls

2016-01-31

The rising importance of converting high peak electricity from renewables to fuels has urged field specialists to organize this Faraday Discussion on Solid Oxide Electrolysis. The topic is of essential interest in order to achieve a greater utilization of renewable energy and storage at higher densities.

The performance of a boron-loaded gel-fuel ramjet

NASA Astrophysics Data System (ADS)

Haddad, A.; Natan, B.; Arieli, R.

2011-10-01

The present work focuses on the possibility of combining the advantages of ramjet propulsion with the high energetic potential of boron. However, the use of boron poses two major challenges. The first, common to all solid additives to liquid fuels is particle sedimentation and poor dispersion. This problem is solved through the use of a gel fuel. The second obstacle, specific to boron-enriched fuels, is the difficulty in realizing the full energetic potential of boron. This could be overcome by means of an aft-combustion chamber, where fuel-rich combustion products are mixed with cold bypass air. Cooling causes the gaseous boron oxide to condense and, as a consequence, the heat of evaporation trapped in the gaseous oxide is released. The merits of such a combination are assessed through its ability to power an air-to-surface missile of relatively small size, capable of delivering a large payload to over a distance of about 1000 km in short time. The paper presents a preliminary design of a ramjet missile using a gel fuel loaded with boron. The thermochemical aspects of the two-stage combustion of the fuel are considered. A comparison with a solid rocket motor (SRM) missile launched under the same conditions as the ramjet missile is made. The boron-loaded gel-fuel ramjet is found superior for this mission.

Method for characterizing and choosing the solid mixed fuel for microthrusters of microelectromechanical systems

NASA Astrophysics Data System (ADS)

Futko, S. I.; Bondarenko, V. P.; Dolgii, L. N.

2012-05-01

We propose a method for characterizing and choosing solid mixed fuels for use as the solid-fuel charge of microthrusters of microelectromechanical systems. The method is based on the solution of the problem on the dependence of impulse responses of such a microthruster on the diameter of the outlet cross-section of its combustion chamber and the microkinetic parameters of the fuel. The variants of choosing the above fuels have been illustrated using glycidyl azide polymer/RDX as the example of a solid fuel mixture. The paper presents the characteristic criteria determining the composition of mixed fuels for the microthruster of a microelectromechanical system and considers the main types of "direct" and "inverse" problems arising in characterizing and choosing such fuels.

CFD analysis of NOx reduction by domestic natural gas added to coal combustion

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

Bar-Ziv, E.; Yasur, Y.; Chudnovsky, B.

2004-07-01

To date, Israel's electrical energy has been based only on imported fuels. However, with the recently discovered natural gas in the Ashqulon shores, Israel can examine the benefits to its energy resources, environment, and economy of blending its domestic natural gas with imported coal. As for using natural gas, the proposal is to burn it in existing IEC coal-fired boilers in order to significantly reduce NOx emission by reburning. An important aspect is to provide retrofitting in existing IEC boilers by replacing a fraction of the coal by natural gas. This would allow the purchase of coal with a widemore » range of parameters, which is less expensive. Hence, mixed gas-coal burning would benefit Israel. The authors have made numerical simulations in order to study the optimal conditions of operation and evaluate the economic as well as environmental benefits. Indeed, extensive simulations have shown that there is a significant reduction of NOx emission, as expected, with the addition of relatively small amounts of natural gas. Experiments will now be carried out in a test facility that will provide accurate physicochemical properties of the mixed fuel for more reliable simulations. 19 refs., 6 figs., 1 tab.« less

Effective delayed neutron fraction and prompt neutron lifetime of Tehran research reactor mixed-core

PubMed Central

Lashkari, A.; Khalafi, H.; Kazeminejad, H.

2013-01-01

In this work, kinetic parameters of Tehran research reactor (TRR) mixed cores have been calculated. The mixed core configurations are made by replacement of the low enriched uranium control fuel elements with highly enriched uranium control fuel elements in the reference core. The MTR_PC package, a nuclear reactor analysis tool, is used to perform the analysis. Simulations were carried out to compute effective delayed neutron fraction and prompt neutron lifetime. Calculation of kinetic parameters is necessary for reactivity and power excursion transient analysis. The results of this research show that effective delayed neutron fraction decreases and prompt neutron lifetime increases with the fuels burn-up. Also, by increasing the number of highly enriched uranium control fuel elements in the reference core, the prompt neutron lifetime increases, but effective delayed neutron fraction does not show any considerable change. PMID:24976672

Mutual Exclusion of Urea and Trimethylamine N-oxide from Amino Acids in Mixed Solvent Environment

NASA Astrophysics Data System (ADS)

Ganguly, Pritam; Hajari, Timir; Shea, Joan-Emma; van der Vegt, Nico F. A.

2015-03-01

We study the solvation thermodynamics of individual amino acids in mixed urea and trimethylamine N-oxide (TMAO) solutions using molecular dynamics simulations and the Kirkwood-Buff theory. Our results on the preferential interactions between the amino acids and the cosolvents (urea and TMAO) show a mutual exclusion of both the cosolvents from the amino acid surface in the mixed cosolvent condition which is followed by an increase in the cosolvent-cosolvent aggregation away from the amino acid surface. The effects of the mixed cosolvents on the association of the amino acids and the preferential solvation of the amino acids by water are found to be highly non-linear in terms of the effects of the individual cosolvents. A similar result has been found for the association of the protein backbone, mimicked by triglycine. Our results have been confirmed by different TMAO force-fields and the mutual exclusions of the cosolvents from the amino acids are found to be independent of the choice of the strength of the TMAO-water interactions. Based on our data, a general mechanism can potentially be proposed for the effects of the mixed cosolvents on the preferential solvations of the solutes including the case of cononsolvency.

Renewable liquid fuels from catalytic reforming of biomass-derived oxygenated hydrocarbons

NASA Astrophysics Data System (ADS)

Barrett, Christopher J.

Diminishing fossil fuel reserves and growing concerns about global warming require the development of sustainable sources of energy. Fuels for use in the transportation sector must have specific physical properties that allow for efficient distribution, storage, and combustion; these requirements are currently fulfilled by petroleum-derived liquid fuels. The focus of this work has been the development of two new biofuels that have the potential to become widely used transportation fuels from carbohydrate intermediates. Our first biofuel has cetane numbers ranging from 63 to 97 and is comprised of C7 to C15 straight chain alkanes. These alkanes can be blended with diesel like fuels or with P-series biofuel. Production involves a solid base catalyzed aldol condensation with mixed Mg-Al-oxide between furfural or 5-hydroxymethylfurfural (HMF) and acetone, followed by hydrogenation over Pd/Al2O3, and finally hydrogenation/dehydration over Pt/SiO2-Al2O3. Water was the solvent for all process steps, except for the hydrogenation/dehydration stage where hexadecane was co-fed to spontaneously separate out all alkane products and eliminate the need for energy intensive distillation. A later optimization identified Pd/MgO-ZrO2 as a hydrothermally stable bifunctional catalyst to replace Pd/Al2O3 and the hydrothermally unstable Mg-Al-oxide catalysts along with optimizing process parameters, such as temperature and molar ratios of reactants to maximize yields to heavier alkanes. Our second biofuel involved creating an improved process to produce HMF through the acid-catalyzed dehydration of fructose in a biphasic reactor. Additionally, we developed a technique to further convert HMF into 2,5-dimethylfuran (DMF) by hydrogenolysis of C-O bonds over a copper-ruthenium catalyst. DMF has many properties that make it a superior blending agent to ethanol: it has a high research octane number at 119, a 40% higher energy density than ethanol, 20 K higher boiling point, and is insoluble in water unlike ethanol. Continued work identified the cause of copper catalyst deactivation in HMF hydrogenolysis to be coking, minimized coking through varying temperature, pressure, solvent, and catalyst process variables, and identified a suitable regeneration technique through reduction.

Fuel treatments alter the effects of wildfire in a mixed-evergreen forest, Oregon, USA.

Treesearch

Crystal L. Raymond; David L. Peterson

2005-01-01

We had the rare opportunity to quantify the relationship between fuels and fire severity using prefire surface and canopy fuel data and fire severity data after a wildfire. The study area is a mixed-evergreen forest of southwestern Oregon with a mixed-severity fire regime. Modeled fire behavior showed that thinning reduced canopy fuels, thereby decreasing the potential...

Promotion of water-mediated carbon removal by nanostructured barium oxide/nickel interfaces in solid oxide fuel cells.

PubMed

Yang, Lei; Choi, YongMan; Qin, Wentao; Chen, Haiyan; Blinn, Kevin; Liu, Mingfei; Liu, Ping; Bai, Jianming; Tyson, Trevor A; Liu, Meilin

2011-06-21

The existing Ni-yttria-stabilized zirconia anodes in solid oxide fuel cells (SOFCs) perform poorly in carbon-containing fuels because of coking and deactivation at desired operating temperatures. Here we report a new anode with nanostructured barium oxide/nickel (BaO/Ni) interfaces for low-cost SOFCs, demonstrating high power density and stability in C(3)H(8), CO and gasified carbon fuels at 750°C. Synchrotron-based X-ray analyses and microscopy reveal that nanosized BaO islands grow on the Ni surface, creating numerous nanostructured BaO/Ni interfaces that readily adsorb water and facilitate water-mediated carbon removal reactions. Density functional theory calculations predict that the dissociated OH from H(2)O on BaO reacts with C on Ni near the BaO/Ni interface to produce CO and H species, which are then electrochemically oxidized at the triple-phase boundaries of the anode. This anode offers potential for ushering in a new generation of SOFCs for efficient, low-emission conversion of readily available fuels to electricity.

Promotion of water-mediated carbon removal by nanostructured barium oxide/nickel interfaces in solid oxide fuel cells

PubMed Central

Yang, Lei; Choi, YongMan; Qin, Wentao; Chen, Haiyan; Blinn, Kevin; Liu, Mingfei; Liu, Ping; Bai, Jianming; Tyson, Trevor A.; Liu, Meilin

2011-01-01

The existing Ni-yttria-stabilized zirconia anodes in solid oxide fuel cells (SOFCs) perform poorly in carbon-containing fuels because of coking and deactivation at desired operating temperatures. Here we report a new anode with nanostructured barium oxide/nickel (BaO/Ni) interfaces for low-cost SOFCs, demonstrating high power density and stability in C3H8, CO and gasified carbon fuels at 750°C. Synchrotron-based X-ray analyses and microscopy reveal that nanosized BaO islands grow on the Ni surface, creating numerous nanostructured BaO/Ni interfaces that readily adsorb water and facilitate water-mediated carbon removal reactions. Density functional theory calculations predict that the dissociated OH from H2O on BaO reacts with C on Ni near the BaO/Ni interface to produce CO and H species, which are then electrochemically oxidized at the triple-phase boundaries of the anode. This anode offers potential for ushering in a new generation of SOFCs for efficient, low-emission conversion of readily available fuels to electricity. PMID:21694705

Processing and fabrication of mixed uranium/refractory metal carbide fuels with liquid-phase sintering

NASA Astrophysics Data System (ADS)

Knight, Travis W.; Anghaie, Samim

2002-11-01

Optimization of powder processing techniques were sought for the fabrication of single-phase, solid-solution mixed uranium/refractory metal carbide nuclear fuels - namely (U, Zr, Nb)C. These advanced, ultra-high temperature nuclear fuels have great potential for improved performance over graphite matrix, dispersed fuels tested in the Rover/NERVA program of the 1960s and early 1970s. Hypostoichiometric fuel samples with carbon-to-metal ratios of 0.98, uranium metal mole fractions of 5% and 10%, and porosities less than 5% were fabricated. These qualities should provide for the longest life and highest performance capability for these fuels. Study and optimization of processing methods were necessary to provide the quality assurance of samples for meaningful testing and assessment of performance for nuclear thermal propulsion applications. The processing parameters and benefits of enhanced sintering by uranium carbide liquid-phase sintering were established for the rapid and effective consolidation and formation of a solid-solution mixed carbide nuclear fuel.

Molecular dynamics simulations of poly (ethylene oxide) hydration and conformation in solutions

NASA Astrophysics Data System (ADS)

Dahal, Udaya; Dormidontova, Elena

Polyethylene oxide (PEO) is one of the most actively used polymers, especially in biomedical applications due to its high hydrophilicity, biocompatibility and potency to inhibit protein adsorption. PEO solubility and conformation in water depends on its capability to form hydrogen bonds. Using atomistic molecular dynamics simulations we investigated the details of water packing around PEO chain and characterized the type and lifetime of hydrogen bonds in aqueous and mixed solvent solutions. The observed polymer chain conformation varies from an extended coil in pure water to collapsed globule in hexane and a helical-like conformation in pure isobutyric acid or isobutyric acid -water mixture in agreement with experimental observations. We'll discuss the implications of protic solvent arrangement and stability of hydrogen bonds on PEO chain conformation and mobility. This research is supported by NSF (DMR-1410928).

In-depth investigation of spin-on doped solar cells with thermally grown oxide passivation

NASA Astrophysics Data System (ADS)

Ahmad, Samir Mahmmod; Cheow, Siu Leong; Ludin, Norasikin A.; Sopian, K.; Zaidi, Saleem H.

Solar cell industrial manufacturing, based largely on proven semiconductor processing technologies supported by significant advancements in automation, has reached a plateau in terms of cost and efficiency. However, solar cell manufacturing cost (dollar/watt) is still substantially higher than fossil fuels. The route to lowering cost may not lie with continuing automation and economies of scale. Alternate fabrication processes with lower cost and environmental-sustainability coupled with self-reliance, simplicity, and affordability may lead to price compatibility with carbon-based fuels. In this paper, a custom-designed formulation of phosphoric acid has been investigated, for n-type doping in p-type substrates, as a function of concentration and drive-in temperature. For post-diffusion surface passivation and anti-reflection, thermally-grown oxide films in 50-150-nm thickness were grown. These fabrication methods facilitate process simplicity, reduced costs, and environmental sustainability by elimination of poisonous chemicals and toxic gases (POCl3, SiH4, NH3). Simultaneous fire-through contact formation process based on screen-printed front surface Ag and back surface through thermally grown oxide films was optimized as a function of the peak temperature in conveyor belt furnace. Highest efficiency solar cells fabricated exhibited efficiency of ∼13%. Analysis of results based on internal quantum efficiency and minority carried measurements reveals three contributing factors: high front surface recombination, low minority carrier lifetime, and higher reflection. Solar cell simulations based on PC1D showed that, with improved passivation, lower reflection, and high lifetimes, efficiency can be enhanced to match with commercially-produced PECVD SiN-coated solar cells.

40 CFR 721.10006 - Mixed metal oxide (generic).

Code of Federal Regulations, 2012 CFR

2012-07-01

... 40 Protection of Environment 32 2012-07-01 2012-07-01 false Mixed metal oxide (generic). 721.10006... Substances § 721.10006 Mixed metal oxide (generic). (a) Chemical substance and significant new uses subject to reporting. (1) The chemical substance identified generically as mixed metal oxide (PMN P-99-511...

40 CFR 721.10006 - Mixed metal oxide (generic).

Code of Federal Regulations, 2014 CFR

2014-07-01

... 40 Protection of Environment 31 2014-07-01 2014-07-01 false Mixed metal oxide (generic). 721.10006... Substances § 721.10006 Mixed metal oxide (generic). (a) Chemical substance and significant new uses subject to reporting. (1) The chemical substance identified generically as mixed metal oxide (PMN P-99-511...

Experiments on Induction Times of Diesel-Fuels and its Surrogates

NASA Astrophysics Data System (ADS)

Eigenbrod, Christian; Reimert, Manfredo; Marks, Guenther; Rickmers, Peter; Klinkov, Konstantin; Moriue, Osamu

Aiming for as low polluting combustion control as possible in Diesel-engines or gas-turbines, pre-vaporized and pre-mixed combustion at low mean temperature levels marks the goal. Low-est emissions of nitric-oxides are achievable at combustion temperatures associated to mixture ratios close to the lean flammability limit. In order to prevent local mixture ratios to be below the flammability limit (resulting in flame extinction or generation of unburned hydrocarbons and carbon-monoxide) or to be richer than required (resulting in more nitric-oxide than possi-ble), well-stirred conditioning is required. The time needed for spray generation, vaporization and turbulent mixing is limited through the induction time to self-ignition in a hot high-pressure ambiance. Therefore, detailed knowledge about the autoignition of fuels is a pre-requisit. Experiments were performed at the Bremen drop tower to investigate the self-ignition behavior of single droplets of fossil-Diesel oil, rapeseed-oil, Gas-to-Liquid (GTL) synthetic Diesel-oil and the fossil Diesel surrogates n-heptane, n-tetradecane, 50 n-tetradecane/ 50 1-methylnaphthalene as well as on the GTL-surrogates n-tetradecane / bicyclohexyl and n-tetradecane / 2,2,4,4,6,8,8-heptamethylnonane (iso-cetane). The rules for selection of the above fuels and the experimental results are presented and dis-cussed.

Fuels Inventories in the Los Alamos National Laboratory Region: 1997

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

Balice, R.G.; Oswald, B.P.; Martin, C.

1999-03-01

Fifty-four sites were surveyed for fuel levels, vegetational structures, and topographic characteristics. Most of the surveyed sites were on Los Alamos National Laboratory property, however, some surveys were also conducted on U.S. Forest Service property. The overall vegetation of these sites ranged from pinon-juniper woodlands to ponderosa pine forests to mixed conifer forests, and the topographic positions included canyons, mesas, and mountains. The results of these surveys indicate that the understory fuels are the greatest in mixed conifer forests and that overstory fuels are greatest in both mixed conifer forests and ponderosa pine forests on mesas. The geographic distribution ofmore » these fuels would suggest a most credible wildfire scenario for the Los Alamos region. Three major fires have occurred since 1954 and these fires behaved in a manner that is consistent with this scenario. The most credible wildfire scenario was also supported by the results of BEHAVE modeling that used the fuels inventory data as inputs. Output from the BEHAVE model suggested that catastrophic wildfires would continue to occur during any season with sufficiently dry, windy weather.« less

40 CFR 721.10006 - Mixed metal oxide (generic).

Code of Federal Regulations, 2013 CFR

2013-07-01

... 40 Protection of Environment 32 2013-07-01 2013-07-01 false Mixed metal oxide (generic). 721.10006... Substances § 721.10006 Mixed metal oxide (generic). (a) Chemical substance and significant new uses subject to reporting. (1) The chemical substance identified generically as mixed metal oxide (PMN P-99-511...

40 CFR 721.5315 - Nickel, cobalt mixed metal oxide (generic).

Code of Federal Regulations, 2013 CFR

2013-07-01

... 40 Protection of Environment 32 2013-07-01 2013-07-01 false Nickel, cobalt mixed metal oxide... Specific Chemical Substances § 721.5315 Nickel, cobalt mixed metal oxide (generic). (a) Chemical substance... nickel, cobalt mixed metal oxide. (PMN P-02-90) is subject to reporting under this section for the...

40 CFR 721.5548 - Mixed metal oxide (generic).

Code of Federal Regulations, 2010 CFR

2010-07-01

... 40 Protection of Environment 30 2010-07-01 2010-07-01 false Mixed metal oxide (generic). 721.5548... Substances § 721.5548 Mixed metal oxide (generic). (a) Chemical substance and significant new uses subject to reporting. (1) The chemical substance identified generically as a mixed metal oxide (PMN P-97-956) is...

40 CFR 721.5315 - Nickel, cobalt mixed metal oxide (generic).

Code of Federal Regulations, 2014 CFR

2014-07-01

... 40 Protection of Environment 31 2014-07-01 2014-07-01 false Nickel, cobalt mixed metal oxide... Specific Chemical Substances § 721.5315 Nickel, cobalt mixed metal oxide (generic). (a) Chemical substance... nickel, cobalt mixed metal oxide. (PMN P-02-90) is subject to reporting under this section for the...

40 CFR 721.5315 - Nickel, cobalt mixed metal oxide (generic).

Code of Federal Regulations, 2011 CFR

2011-07-01

... 40 Protection of Environment 31 2011-07-01 2011-07-01 false Nickel, cobalt mixed metal oxide... Specific Chemical Substances § 721.5315 Nickel, cobalt mixed metal oxide (generic). (a) Chemical substance... nickel, cobalt mixed metal oxide. (PMN P-02-90) is subject to reporting under this section for the...

40 CFR 721.10006 - Mixed metal oxide (generic).

Code of Federal Regulations, 2011 CFR

2011-07-01

... 40 Protection of Environment 31 2011-07-01 2011-07-01 false Mixed metal oxide (generic). 721.10006... Substances § 721.10006 Mixed metal oxide (generic). (a) Chemical substance and significant new uses subject to reporting. (1) The chemical substance identified generically as mixed metal oxide (PMN P-99-511...

40 CFR 721.5548 - Mixed metal oxide (generic).

Code of Federal Regulations, 2014 CFR

2014-07-01

... 40 Protection of Environment 31 2014-07-01 2014-07-01 false Mixed metal oxide (generic). 721.5548... Substances § 721.5548 Mixed metal oxide (generic). (a) Chemical substance and significant new uses subject to reporting. (1) The chemical substance identified generically as a mixed metal oxide (PMN P-97-956) is...

40 CFR 721.5315 - Nickel, cobalt mixed metal oxide (generic).

Code of Federal Regulations, 2012 CFR

2012-07-01

... 40 Protection of Environment 32 2012-07-01 2012-07-01 false Nickel, cobalt mixed metal oxide... Specific Chemical Substances § 721.5315 Nickel, cobalt mixed metal oxide (generic). (a) Chemical substance... nickel, cobalt mixed metal oxide. (PMN P-02-90) is subject to reporting under this section for the...

40 CFR 721.5548 - Mixed metal oxide (generic).

Code of Federal Regulations, 2012 CFR

2012-07-01

... 40 Protection of Environment 32 2012-07-01 2012-07-01 false Mixed metal oxide (generic). 721.5548... Substances § 721.5548 Mixed metal oxide (generic). (a) Chemical substance and significant new uses subject to reporting. (1) The chemical substance identified generically as a mixed metal oxide (PMN P-97-956) is...

40 CFR 721.5548 - Mixed metal oxide (generic).

Code of Federal Regulations, 2013 CFR

2013-07-01

... 40 Protection of Environment 32 2013-07-01 2013-07-01 false Mixed metal oxide (generic). 721.5548... Substances § 721.5548 Mixed metal oxide (generic). (a) Chemical substance and significant new uses subject to reporting. (1) The chemical substance identified generically as a mixed metal oxide (PMN P-97-956) is...

40 CFR 721.5548 - Mixed metal oxide (generic).

Code of Federal Regulations, 2011 CFR

2011-07-01

... 40 Protection of Environment 31 2011-07-01 2011-07-01 false Mixed metal oxide (generic). 721.5548... Substances § 721.5548 Mixed metal oxide (generic). (a) Chemical substance and significant new uses subject to reporting. (1) The chemical substance identified generically as a mixed metal oxide (PMN P-97-956) is...

High-Fidelity Simulations of Electrically-Charged Atomizing Diesel-Type Jets

NASA Astrophysics Data System (ADS)

Gaillard, Benoit; Owkes, Mark; van Poppel, Bret

2015-11-01

Combustion of liquid fuels accounts for over a third of the energy usage today. Improving efficiency of combustion systems is critical to meet the energy needs while limiting environmental impacts. Additionally, a shift away from traditional fossil fuels to bio-derived alternatives requires fuel injection systems that can atomize fuels with a wide range of properties. In this work, the potential benefits of electrically-charged atomization is investigated using numerical simulations. Particularly, the electrostatic forces on the hydrodynamic jet are quantified and the impact of the forces is analyzed by comparing simulations of Diesel-type jets at realistic flow conditions. The simulations are performed using a state-of-the-art numerical framework that globally conserves mass, momentum, and the electric charge density even at the gas-liquid interface where discontinuities exist.

Thermodynamic analysis of biofuels as fuels for high temperature fuel cells

NASA Astrophysics Data System (ADS)

Milewski, Jarosław; Bujalski, Wojciech; Lewandowski, Janusz

2013-02-01

Based on mathematical modeling and numerical simulations, applicativity of various biofuels on high temperature fuel cell performance are presented. Governing equations of high temperature fuel cell modeling are given. Adequate simulators of both solid oxide fuel cell (SOFC) and molten carbonate fuel cell (MCFC) have been done and described. Performance of these fuel cells with different biofuels is shown. Some characteristics are given and described. Advantages and disadvantages of various biofuels from the system performance point of view are pointed out. An analysis of various biofuels as potential fuels for SOFC and MCFC is presented. The results are compared with both methane and hydrogen as the reference fuels. The biofuels are characterized by both lower efficiency and lower fuel utilization factors compared with methane. The presented results are based on a 0D mathematical model in the design point calculation. The governing equations of the model are also presented. Technical and financial analysis of high temperature fuel cells (SOFC and MCFC) are shown. High temperature fuel cells can be fed by biofuels like: biogas, bioethanol, and biomethanol. Operational costs and possible incomes of those installation types were estimated and analyzed. A comparison against classic power generation units is shown. A basic indicator net present value (NPV) for projects was estimated and commented.

Thermodynamic analysis of biofuels as fuels for high temperature fuel cells

NASA Astrophysics Data System (ADS)

Milewski, Jarosław; Bujalski, Wojciech; Lewandowski, Janusz

2011-11-01

Based on mathematical modeling and numerical simulations, applicativity of various biofuels on high temperature fuel cell performance are presented. Governing equations of high temperature fuel cell modeling are given. Adequate simulators of both solid oxide fuel cell (SOFC) and molten carbonate fuel cell (MCFC) have been done and described. Performance of these fuel cells with different biofuels is shown. Some characteristics are given and described. Advantages and disadvantages of various biofuels from the system performance point of view are pointed out. An analysis of various biofuels as potential fuels for SOFC and MCFC is presented. The results are compared with both methane and hydrogen as the reference fuels. The biofuels are characterized by both lower efficiency and lower fuel utilization factors compared with methane. The presented results are based on a 0D mathematical model in the design point calculation. The governing equations of the model are also presented. Technical and financial analysis of high temperature fuel cells (SOFC and MCFC) are shown. High temperature fuel cells can be fed by biofuels like: biogas, bioethanol, and biomethanol. Operational costs and possible incomes of those installation types were estimated and analyzed. A comparison against classic power generation units is shown. A basic indicator net present value (NPV) for projects was estimated and commented.

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.

Studies on formation of unconfined detonable vapor cloud using explosive means.

PubMed

Apparao, A; Rao, C R; Tewari, S P

2013-06-15

Certain organic liquid fuels like hydrocarbons, hydrocarbon oxides, when dispersed in air in the form of small droplets, mix with surrounding atmosphere forming vapor cloud (aerosol) and acquire explosive properties. This paper describes the studies on establishment of conditions for dispersion of fuels in air using explosive means resulting in formation of detonable aerosols of propylene oxide and ethylene oxide. Burster charges based on different explosives were evaluated for the capability to disperse the fuels without causing ignition. Parameters like design of canister, burster tube, burster charge type, etc. have been studied based on dispersion experiments. The detonability of the aerosol formed by the optimized burster charge system was also tested. Copyright © 2013 Elsevier B.V. All rights reserved.

Reduced graphene oxide-TiO2 nanocomposite as a promising visible-light-active photocatalyst for the conversion of carbon dioxide

NASA Astrophysics Data System (ADS)

Tan, Lling-Lling; Ong, Wee-Jun; Chai, Siang-Piao; Mohamed, Abdul Rahman

2013-11-01

Photocatalytic reduction of carbon dioxide (CO2) into hydrocarbon fuels such as methane is an attractive strategy for simultaneously harvesting solar energy and capturing this major greenhouse gas. Incessant research interest has been devoted to preparing graphene-based semiconductor nanocomposites as photocatalysts for a variety of applications. In this work, reduced graphene oxide (rGO)-TiO2 hybrid nanocrystals were fabricated through a novel and simple solvothermal synthetic route. Anatase TiO2 particles with an average diameter of 12 nm were uniformly dispersed on the rGO sheet. Slow hydrolysis reaction was successfully attained through the use of ethylene glycol and acetic acid mixed solvents coupled with an additional cooling step. The prepared rGO-TiO2 nanocomposites exhibited superior photocatalytic activity (0.135 μmol gcat -1 h-1) in the reduction of CO2 over graphite oxide and pure anatase. The intimate contact between TiO2 and rGO was proposed to accelerate the transfer of photogenerated electrons on TiO2 to rGO, leading to an effective charge anti-recombination and thus enhancing the photocatalytic activity. Furthermore, our photocatalysts were found to be active even under the irradiation of low-power energy-saving light bulbs, which renders the entire process economically and practically feasible.

Theory and Application of Photoelectron Diffraction for Complex Oxide Systems

NASA Astrophysics Data System (ADS)

Chassé, Angelika; Chassé, Thomas

2018-06-01

X-ray photoelectron diffraction (XPD) has been used to investigate film structures and local sites of surface and dopant atoms in complex oxide materials. We have performed angular-resolved measurements of intensity distribution curves (ADCs) and patterns (ADPs) of elemental core level intensities from binary to quaternary mixed oxide samples and compared them to multiple-scattering cluster (MSC) calculations in order to derive information on structural models and related parameters. MSC calculations permitted to describe both bulk diffraction features of binary oxide MnO(001) and the thickness-dependence of the tetragonal distortion of epitaxial MnO films on Ag(001). XPD was further used to investigate the surface termination of perovskite SrTiO3 and BaTiO3 substrates in order to evaluate influence of different ex situ and in situ preparation procedures on the surface layers, which are crucial for quality of following film growth. Despite the similarity of local environments of Sr (Ba) and Ti atoms in the perovskite film structure an angular region in the ADCs was identified as a fingerprint with the help of MSC simulations which provided clear conclusions on the perovskite oxide surfaces. Dopant sites in quaternary perovskite manganites La1-xCaxMnO3, La1-xSrxMnO3, and La1-xCexMnO3 were studied with polar angle scans of the photoemission intensities of host and dopant atoms. Both direct comparison of experimental ADCs and to the simulations within MSC models confirm the occupation of A sites by the dopants and the structural quality of the complex oxide films.

Reduced graphene oxide-TiO2 nanocomposite as a promising visible-light-active photocatalyst for the conversion of carbon dioxide.

PubMed

Tan, Lling-Lling; Ong, Wee-Jun; Chai, Siang-Piao; Mohamed, Abdul Rahman

2013-11-06

Photocatalytic reduction of carbon dioxide (CO2) into hydrocarbon fuels such as methane is an attractive strategy for simultaneously harvesting solar energy and capturing this major greenhouse gas. Incessant research interest has been devoted to preparing graphene-based semiconductor nanocomposites as photocatalysts for a variety of applications. In this work, reduced graphene oxide (rGO)-TiO2 hybrid nanocrystals were fabricated through a novel and simple solvothermal synthetic route. Anatase TiO2 particles with an average diameter of 12 nm were uniformly dispersed on the rGO sheet. Slow hydrolysis reaction was successfully attained through the use of ethylene glycol and acetic acid mixed solvents coupled with an additional cooling step. The prepared rGO-TiO2 nanocomposites exhibited superior photocatalytic activity (0.135 μmol gcat-1 h-1) in the reduction of CO2 over graphite oxide and pure anatase. The intimate contact between TiO2 and rGO was proposed to accelerate the transfer of photogenerated electrons on TiO2 to rGO, leading to an effective charge anti-recombination and thus enhancing the photocatalytic activity. Furthermore, our photocatalysts were found to be active even under the irradiation of low-power energy-saving light bulbs, which renders the entire process economically and practically feasible.

Mixed oxide solid solutions

DOEpatents

Magno, Scott; Wang, Ruiping; Derouane, Eric

2003-01-01

The present invention is a mixed oxide solid solution containing a tetravalent and a pentavalent cation that can be used as a support for a metal combustion catalyst. The invention is furthermore a combustion catalyst containing the mixed oxide solid solution and a method of making the mixed oxide solid solution. The tetravalent cation is zirconium(+4), hafnium(+4) or thorium(+4). In one embodiment, the pentavalent cation is tantalum(+5), niobium(+5) or bismuth(+5). Mixed oxide solid solutions of the present invention exhibit enhanced thermal stability, maintaining relatively high surface areas at high temperatures in the presence of water vapor.

Forest restoration and fuels reduction in ponderosa pine and dry mixed conifer in the Southwest

Treesearch

Marlin Johnson

2008-01-01

(Please note, this is an abstract only) Most people agree that ponderosa pine and dry mixed conifer stands need to be thinned and burned to move the stands to within a normal range of variability. Unfortunately, people are in disagreement beyond that point. To some, restoration and fuels reduction means restoring stands to more open, pre-European (pre-1880) conditions...

The flotation and adsorption of mixed collectors on oxide and silicate minerals.

PubMed

Xu, Longhua; Tian, Jia; Wu, Houqin; Lu, Zhongyuan; Sun, Wei; Hu, Yuehua

2017-12-01

The analysis of flotation and adsorption of mixed collectors on oxide and silicate minerals is of great importance for both industrial applications and theoretical research. Over the past years, significant progress has been achieved in understanding the adsorption of single collectors in micelles as well as at interfaces. By contrast, the self-assembly of mixed collectors at liquid/air and solid/liquid interfaces remains a developing area as a result of the complexity of the mixed systems involved and the limited availability of suitable analytical techniques. In this work, we systematically review the processes involved in the adsorption of mixed collectors onto micelles and at interface by examining four specific points, namely, theoretical background, factors that affect adsorption, analytical techniques, and self-assembly of mixed surfactants at the mineral/liquid interface. In the first part, the theoretical background of collector mixtures is introduced, together with several core solution theories, which are classified according to their application in the analysis of physicochemical properties of mixed collector systems. In the second part, we discuss the factors that can influence adsorption, including factors related to the structure of collectors and environmental conditions. We summarize their influence on the adsorption of mixed systems, with the objective to provide guidance on the progress achieved in this field to date. Advances in measurement techniques can greatly promote our understanding of adsorption processes. In the third part, therefore, modern techniques such as optical reflectometry, neutron scattering, neutron reflectometry, thermogravimetric analysis, fluorescence spectroscopy, ultrafiltration, atomic force microscopy, analytical ultracentrifugation, X-ray photoelectron spectroscopy, Vibrational Sum Frequency Generation Spectroscopy and molecular dynamics simulations are introduced in virtue of their application. Finally, focusing on oxide and silicate minerals, we review and summarize the flotation and adsorption of three most widely used mixed surfactant systems (anionic-cationic, anionic-nonionic, and cationic-nonionic) at the liquid/mineral interface in order to fully understand the self-assembly progress. In the end, the paper gives a brief future outlook of the possible development in the mixed surfactants. Copyright © 2017 Elsevier B.V. All rights reserved.

A coupled CFD and two-phase substrate kinetic model for enzymatic hydrolysis of lignocellulose

NASA Astrophysics Data System (ADS)

Danes, Nicholas; Sitaraman, Hariswaran; Stickel, Jonathan; Sprague, Michael

2017-11-01

Cost-effective production of fuels from lignocellulosic biomass is an important subject of research in order to meet the world's current and future energy demands. Enzymatic hydrolysis is one of the several steps in the biochemical conversion of biomass into fuels. This process involves the interplay of non-Newtonian fluid dynamics that happen over tens of seconds coupled with chemical reactions that happen over several hours. In this work, we present a coupled CFD-reaction model for conversion of cellulose to sugars in a benchtop mixer reactor. A subcycling approach is used to circumvent the large time scale disparity between fluid dynamics and reactions. We will present a validation study of our simulations with experiments for well-mixed and stratified reactor scenarios along with predictions for conversion rates and product concentrations at varying impeller speeds and in scaled-up reactors. This work is funded by the Bioenergy Technology Office of DOE and the NSF's Enriched Doctoral Training program (DMS-1551229).

Rational design of novel cathode materials in solid oxide fuel cells using first-principles simulations

NASA Astrophysics Data System (ADS)

Choi, YongMan; Lin, M. C.; Liu, Meilin

The search for clean and renewable sources of energy represents one of the most vital challenges facing us today. Solid oxide fuel cells (SOFCs) are among the most promising technologies for a clean and secure energy future due to their high energy efficiency and excellent fuel flexibility (e.g., direct utilization of hydrocarbons or renewable fuels). To make SOFCs economically competitive, however, development of new materials for low-temperature operation is essential. Here we report our results on a computational study to achieve rational design of SOFC cathodes with fast oxygen reduction kinetics and rapid ionic transport. Results suggest that surface catalytic properties are strongly correlated with the bulk transport properties in several material systems with the formula of La 0.5Sr 0.5BO 2.75 (where B = Cr, Mn, Fe, or Co). The predictions seem to agree qualitatively with available experimental results on these materials. This computational screening technique may guide us to search for high-efficiency cathode materials for a new generation of SOFCs.

Reduction of spalling in mixed metal oxide desulfurization sorbents by addition of a large promoter metal oxide

DOEpatents

Poston, J.A.

1997-12-02

Mixed metal oxide pellets for removing hydrogen sulfide from fuel gas mixes derived from coal are stabilized for operation over repeated cycles of desulfurization and regeneration reactions by addition of a large promoter metal oxide such as lanthanum trioxide. The pellets, which may be principally made up of a mixed metal oxide such as zinc titanate, exhibit physical stability and lack of spalling or decrepitation over repeated cycles without loss of reactivity. The lanthanum oxide is mixed with pellet-forming components in an amount of 1 to 10 weight percent.

Joint DoD/DoE Shale Oil Project. Volume 3. Testing of Refined Shale Oil Fuels.

DTIC Science & Technology

1983-12-01

inches displacement NO Nitric oxide CLR Cooperative Lubrication Research NOX Oxides of nitrogen CO Carbon monoxide CO2 Carbon dioxide cSt Centistokes... composition and properties, and evaluation of toxicity. This report summarizes the results of these test and evalua- tion studies. The Paraho/Sohio effort...TABLE 11-1. DOE ALTERNATIVE FUELS PROGRAM DIESEL ENGINE TESTS WITH SHALE FUELS ............................... 11-11 TABLE 11-2. COMPOSITION OF

Reduction of spalling in mixed metal oxide desulfurization sorbents by addition of a large promoter metal oxide

DOEpatents

Poston, James A.

1997-01-01

Mixed metal oxide pellets for removing hydrogen sulfide from fuel gas mixes derived from coal are stabilized for operation over repeated cycles of desulfurization and regeneration reactions by addition of a large promoter metal oxide such as lanthanum trioxide. The pellets, which may be principally made up of a mixed metal oxide such as zinc titanate, exhibit physical stability and lack of spalling or decrepitation over repeated cycles without loss of reactivity. The lanthanum oxide is mixed with pellet-forming components in an amount of 1 to 10 weight percent.

Electrochemical device for syngas and liquid fuels production

DOEpatents

Braun, Robert J.; Becker, William L.; Penev, Michael

2017-04-25

The invention relates to methods for creating high value liquid fuels such as gasoline, diesel, jet and alcohols using carbon dioxide and water as the starting raw materials and a system for using the same. These methods combine a novel solid oxide electrolytic cell (SOEC) for the efficient and clean conversion of carbon dioxide and water to hydrogen and carbon monoxide, uniquely integrated with a gas-to-liquid fuels producing method.

VERIFICATION TESTING OF EMISSIONS FROM THE COMBUSTION OF A-55 CLEAN FUELS IN A FIRETUBE BOILER

EPA Science Inventory

The report gives results of testing three fuels in a small (732 kW) firetube package boiler to determine emissions of carbon monoxide (CO), nitrogen oxide (NO), particulate matter (PM), and total hydrocarbons (THCs). The tests were part of EPA's Environmental Technology Verificat...

Fire spread probabilities for experimental beds composed of mixedwood boreal forest fuels

Treesearch

M.B. Dickinson; E.A. Johnson; R. Artiaga

2013-01-01

Although fuel characteristics are assumed to have an important impact on fire regimes through their effects on extinction dynamics, limited capabilities exist for predicting whether a fire will spread in mixedwood boreal forest surface fuels. To improve predictive capabilities, we conducted 347 no-wind, laboratory test burns in surface fuels collected from the mixed-...

Hazardous fuels management in mixed red pine and eastern white pine forest in the northern Lake States: A synthesis of knowledge

Treesearch

Eric Toman; David M. Hix; P. Charles Goebel; Stanley D. Gehrt; Robyn S. Wilson; Jennifer A. Sherry; Alexander Silvis; Priscilla Nyamai; Roger A. Williams; Sarah McCaffrey

2014-01-01

Fuels reduction decisions are made within a larger context of resource management characterized by multiple objectives including ecosystem restoration, wildlife management, commodity production (from timber to nontraditional forest products), and provision of recreation opportunities and amenity values. Implementation of fuels treatments is strongly influenced by their...

Electrospun strontium titanata nanofibers incorporated with nickel oxide nanoparticles for improved photocatalytic activities

NASA Astrophysics Data System (ADS)

Alharbi, Abdulaziz; Alarifi, Ibrahim M.; Khan, Waseem S.; Asmatulu, Ramazan

2015-03-01

The inexpensive sources of fossil fuels in the world are limited, and will deplete soon because of the huge demand on the energy and growing economies worldwide. Thus, many research activities have been focused on the non-fossil fuel based energy sources, and this will continue next few decades. Water splitting using photocatalysts is one of the major alternative energy technologies to produce hydrogen directly from water using photon energy of the sun. Numerous solid photocatalysts have been used by researchers for water splitting. In the present study, nickel oxide and strontium titanata were chosen as photocatalysts for water splitting. Poly (vinyl pyrrolidone) (PVP) was incorporated with nickel oxide [Ni2O3] (co-catalyst), while poly (vinyl acetate) (PVAc) was mixed with titanium (IV) isopropoxide [C12H28O4Ti] and strontium nitrate [Sr(NO3)2]. Then, two solutions were electrospun using coaxial electrospinning technique to generate nanoscale fibers incorporated with NiOx nanoparticles. The fibers were then heat treated at elevated temperatures for 2hr in order to transform the strontium titanata and nickel oxide into crystalline form for a better photocatalytic efficiency. The morphology of fibers was characterized via scanning electron microscopy (SEM), while the surface hydrophobicity was determined using water contact angle goniometer. The UV-vis spectrophotometer was also used to determine the band gap energy values of the nanofibers. This study may open up new possibilities to convert water into fuel directly using the novel photocatalysts.

Multicomponent Oxide Systems for Corrosion Protection.

DTIC Science & Technology

1980-11-15

hydroxides on film growth. New types of mixed oxide coatings deposited from nonaqueous solutions of organometallic compounds were developed. Titanium -aluminum...mixed oxide coatings, deposited from solutions of titanium alkoxides in isopropanol, served as a prototype system for much of this work. It was found...45 13. Coating Steps and Analysis... ...................... 50 14. Auger Depth Profiles of Titanium -Aluminum Mixed Oxide *Coatings Deposited

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

A XAS study of the local environments of cations in (U, Ce)O 2

NASA Astrophysics Data System (ADS)

Martin, Philippe; Ripert, Michel; Petit, Thierry; Reich, Tobias; Hennig, Christoph; D'Acapito, Francesco; Hazemann, Jean Louis; Proux, Olivier

2003-01-01

Mixed oxide (MOX) fuel is usually considered as a solid solution formed by uranium and plutonium dioxides. Nevertheless, some physico-chemical properties of (U 1- y, Pu y)O 2 samples manufactured under industrial conditions showed anomalies in the domain of plutonium contents ranging between 3 and 15 at.%. Cerium is commonly used as an inactive analogue of plutonium in preliminary studies on MOX fuels. Extended X-ray Absorption Fine Structure (EXAFS) measurements performed at the European Synchrotron Radiation Facility (ESRF) at the cerium and uranium edges on (U 1- y, Ce y)O 2 samples are presented and discussed. They confirmed on an atomic scale the formation of an ideal solid solution for cerium concentrations ranging between 0 and 50 at.%.

A comprehensive guide to fuel management practices for dry mixed conifer forests in the northwestern United States: Mechanical, chemical, and biological fuel treatment methods

Treesearch

Theresa B. Jain; Mike A. Battaglia; Han-Sup Han; Russell T. Graham; Christopher R. Keyes; Jeremy S. Fried; Jonathan E. Sandquist

2014-01-01

Several mechanical approaches to managing vegetation fuels hold promise when applied to the dry mixed conifer forests in the western United States. These are most useful to treat surface, ladder, and crown fuels. There are a variety of techniques to remove or alter all kinds of plant biomass (live, dead, or decomposed) that affect forest resilience. It is important for...

Molecular dynamics simulation study of nanoscale passive oxide growth on Ni-Al alloy surfaces at low temperatures

NASA Astrophysics Data System (ADS)

Sankaranarayanan, Subramanian K. R. S.; Ramanathan, Shriram

2008-08-01

Oxidation kinetics of Ni-Al (100) alloy surface is investigated at low temperatures (300-600 K) and at different gas pressures using molecular dynamics (MD) simulations with dynamic charge transfer between atoms. Monte Carlo simulations employing the bond order simulation model are used to generate the surface segregated minimum energy initial alloy configurations for use in the MD simulations. In the simulated temperature-pressure-composition regime for Ni-Al alloys, we find that the oxide growth curves follow a logarithmic law beyond an initial transient regime. The oxidation rates for Ni-Al alloys were found to decrease with increasing Ni composition. Structure and dynamical correlations in the metal/oxide/gas environments are used to gain insights into the evolution and morphology of the growing oxide film. Oxidation of Ni-Al alloys is characterized by the absence of Ni-O bond formation. Oxide films formed on the various simulated metal surfaces are amorphous in nature and have a limiting thickness ranging from ˜1.7nm for pure Al to 1.1 nm for 15% Ni-Al surfaces. Oxide scale analysis indicates significant charge transfer as well as variation in the morphology and structure of the oxide film formed on pure Al and 5% Ni-Al alloy. For oxide scales thicker than 1 nm, the oxide structure in case of pure Al exhibits a mixed tetrahedral (AlO4˜37%) and octahedral (AlO6˜19%) environment, whereas the oxide scale on Ni-Al alloy surface is almost entirely composed of tetrahedral environment (AlO4˜60%) with very little AlO6 (<1%) . The oxide growth kinetic curves are fitted to Arrhenius-type plots to get an estimate of the activation energy barriers for metal oxidation. The activation energy barrier for oxidation on pure Al was found to be 0.3 eV lower than that on 5% Ni-Al surface. Atomistic observations as well as calculated dynamical correlation functions indicate a layer by layer growth on pure Al, whereas a transition from an initial island growth mode (<75ps) to a layer by layer mode (>100ps) occurs in case of 5% Ni-Al alloy. The oxide growth on both pure Al and Ni-Al alloy surfaces occurs by inward anion and outward cation diffusions. The cation diffusion in both the cases is similar, whereas the anion diffusion in case of 5% Ni-Al is 25% lower than pure Al, thereby resulting in reduced self-limiting thickness of oxide scale on the alloy surface. The simulation findings agree well with previously reported experimental observations of oxidation on Ni-Al alloy surface.

Advanced Light-Duty SI Engine Fuels Research: Multiple Optical Diagnostics of Well-mixed and Stratified Operation.

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

Sjoberg, Carl Magnus Goran; Vuilleumier, David

Ever tighter fuel economy standards and concerns about energy security motivate efforts to improve engine efficiency and to develop alternative fuels. This project contributes to the science base needed by industry to develop highly efficient direct injection spark ignition (DISI) engines that also beneficially exploit the different properties of alternative fuels. Here, the emphasis is on lean operation, which can provide higher efficiencies than traditional non-dilute stoichiometric operation. Since lean operation can lead to issues with ignition stability, slow flame propagation and low combustion efficiency, the focus is on techniques that can overcome these challenges. Specifically, fuel stratification is usedmore » to ensure ignition and completeness of combustion but this technique has soot and NOx emissions challenges. For ultra-lean well-mixed operation, turbulent deflagration can be combined with controlled end-gas autoignition to render mixed-mode combustion for sufficiently fast heat release. However, such mixed-mode combustion requires very stable inflammation, motivating studies on the effects of near-spark flow and turbulence, and the use of small amounts of fuel stratification near the spark plug.« less

Fuel clad chemical interactions in fast reactor MOX fuels

NASA Astrophysics Data System (ADS)

Viswanathan, R.

2014-01-01

Clad corrosion being one of the factors limiting the life of a mixed-oxide fast reactor fuel element pin at high burn-up, some aspects known about the key elements (oxygen, cesium, tellurium, iodine) in the clad-attack are discussed and many Fuel-Clad-Chemical-Interaction (FCCI) models available in the literature are also discussed. Based on its relatively superior predictive ability, the HEDL (Hanford Engineering Development Laboratory) relation is recommended: d/μm = ({0.507 ṡ [B/(at.% fission)] ṡ (T/K-705) ṡ [(O/M)i-1.935]} + 20.5) for (O/M)i ⩽ 1.98. A new model is proposed for (O/M)i ⩾ 1.98: d/μm = [B/(at.% fission)] ṡ (T/K-800)0.5 ṡ [(O/M)i-1.94] ṡ [P/(W cm-1)]0.5. Here, d is the maximum depth of clad attack, B is the burn-up, T is the clad inner surface temperature, (O/M)i is the initial oxygen-to-(uranium + plutonium) ratio, and P is the linear power rating. For fuels with [n(Pu)/n(M = U + Pu)] > 0.25, multiplication factors f are recommended to consider the potential increase in the depth of clad-attack.

Impact of cleaner fuel use and improved stoves on acute respiratory infections: evidence from India.

PubMed

Lamichhane, Prabhat; Sharma, Anurag; Mahal, Ajay

2017-11-01

The use of cleaner fuel and improved stoves has been promoted as a means to lower harmful emissions from solid fuels. However, little is known about how exclusive use of cleaner fuels, mixed fuel use and improved stoves influences children's health. We compared the impact of using liquefied petroleum gas (LPG) exclusively with mixed fuel use (LPG plus polluting fuels) and with exclusive use of polluting fuels on acute respiratory infections (ARI) among 16 157 children 0-4 years of age from households in the 2012 Indian Human Development Survey. Inverse probability weighting (IPW) procedures for multiple treatments were used for this evaluation. Children from households using LPG had a 5.0% lower probability of reporting ARI relative to exclusive users of polluting fuels, with larger effects (10.7%) in rural households. The probability of ARI in households using improved stoves and mixed fuel use was also lower in rural households, by 2.9% and 2.8%, respectively. The magnitude of effect varied across population subgroups, with the highest effects for children living in households living in kachha (low quality material) houses households identified as poor. Use of LPG and improved stoves lowered the probability of ARI among children younger than 5 years. © The Author 2017. Published by Oxford University Press on behalf of Royal Society of Tropical Medicine and Hygiene. All rights reserved. For permissions, please e-mail: journals.permissions@oup.com.

Thermal Aspects of Using Alternative Nuclear Fuels in Supercritical Water-Cooled Reactors

NASA Astrophysics Data System (ADS)

Grande, Lisa Christine

A SuperCritical Water-cooled Nuclear Reactor (SCWR) is a Generation IV concept currently being developed worldwide. Unique to this reactor type is the use of light-water coolant above its critical point. The current research presents a thermal-hydraulic analysis of a single fuel channel within a Pressure Tube (PT)-type SCWR with a single-reheat cycle. Since this reactor is in its early design phase many fuel-channel components are being investigated in various combinations. Analysis inputs are: steam cycle, Axial Heat Flux Profile (AHFP), fuel-bundle geometry, and thermophysical properties of reactor coolant, fuel sheath and fuel. Uniform and non-uniform AHFPs for average channel power were applied to a variety of alternative fuels (mixed oxide, thorium dioxide, uranium dicarbide, uranium nitride and uranium carbide) enclosed in an Inconel-600 43-element bundle. The results depict bulk-fluid, outer-sheath and fuel-centreline temperature profiles together with the Heat Transfer Coefficient (HTC) profiles along the heated length of fuel channel. The objective is to identify the best options in terms of fuel, sheath material and AHFPS in which the outer-sheath and fuel-centreline temperatures will be below the accepted temperature limits of 850°C and 1850°C respectively. The 43-element Inconel-600 fuel bundle is suitable for SCWR use as the sheath-temperature design limit of 850°C was maintained for all analyzed cases at average channel power. Thoria, UC2, UN and UC fuels for all AHFPs are acceptable since the maximum fuel-centreline temperature does not exceed the industry accepted limit of 1850°C. Conversely, the fuel-centreline temperature limit was exceeded for MOX at all AHFPs, and UO2 for both cosine and downstream-skewed cosine AHFPs. Therefore, fuel-bundle modifications are required for UO2 and MOX to be feasible nuclear fuels for SCWRs.

Air Quality and Stationary Source Emission Control; Committee on Public Works, Senate, Ninety-Fourth Congress, First Session. [Committee Print.

ERIC Educational Resources Information Center

National Academy of Sciences - National Research Council, Washington, DC.

This report reviews the problems of sulfur oxide emissions and nitrogen oxide emissions from stationary sources. The first part of the report discusses the adverse consequences to health from combustion of sulfur-containing fossil fuels. The health problem is discussed by relating sulfur oxide levels and respirable particulate matter with…

Fire suppression and fuels treatment effects on mixed-conifer carbon stocks and emissions

Treesearch

M. North; M Hurteau; J Innes

2009-01-01

Depending on management, forests can be an important sink or source of carbon that if released as CO2 could contribute to global warming. Many forests in the western United States are being treated to reduce fuels, yet the effects of these treatments on forest carbon are not well understood. We compared the immediate effects of fuels treatments on carbon stocks and...

[Fire behavior of ground surface fuels in Pinus koraiensis and Quercus mongolica mixed forest under no wind and zero slope condition: a prediction with extended Rothermel model].

PubMed

Zhang, Ji-Li; Liu, Bo-Fei; Chu, Teng-Fei; Di, Xue-Ying; Jin, Sen

2012-06-01

A laboratory burning experiment was conducted to measure the fire spread speed, residual time, reaction intensity, fireline intensity, and flame length of the ground surface fuels collected from a Korean pine (Pinus koraiensis) and Mongolian oak (Quercus mongolica) mixed stand in Maoer Mountains of Northeast China under the conditions of no wind, zero slope, and different moisture content, load, and mixture ratio of the fuels. The results measured were compared with those predicted by the extended Rothermel model to test the performance of the model, especially for the effects of two different weighting methods on the fire behavior modeling of the mixed fuels. With the prediction of the model, the mean absolute errors of the fire spread speed and reaction intensity of the fuels were 0.04 m X min(-1) and 77 kW X m(-2), their mean relative errors were 16% and 22%, while the mean absolute errors of residual time, fireline intensity and flame length were 15.5 s, 17.3 kW X m(-1), and 9.7 cm, and their mean relative errors were 55.5%, 48.7%, and 24%, respectively, indicating that the predicted values of residual time, fireline intensity, and flame length were lower than the observed ones. These errors could be regarded as the lower limits for the application of the extended Rothermel model in predicting the fire behavior of similar fuel types, and provide valuable information for using the model to predict the fire behavior under the similar field conditions. As a whole, the two different weighting methods did not show significant difference in predicting the fire behavior of the mixed fuels by extended Rothermel model. When the proportion of Korean pine fuels was lower, the predicted values of spread speed and reaction intensity obtained by surface area weighting method and those of fireline intensity and flame length obtained by load weighting method were higher; when the proportion of Korean pine needles was higher, the contrary results were obtained.

The thermal conductivity of mixed fuel U xPu 1-xO 2: molecular dynamics simulations

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

Liu, Xiang-Yang; Cooper, Michael William Donald; Stanek, Christopher Richard

2015-10-16

Mixed oxides (MOX), in the context of nuclear fuels, are a mixture of the oxides of heavy actinide elements such as uranium, plutonium and thorium. The interest in the UO 2-PuO 2 system arises from the fact that these oxides are used both in fast breeder reactors (FBRs) as well as in pressurized water reactors (PWRs). The thermal conductivity of UO 2 fuel is an important material property that affects fuel performance since it is the key parameter determining the temperature distribution in the fuel, thus governing, e.g., dimensional changes due to thermal expansion, fission gas release rates, etc. Formore » this reason it is important to understand the thermal conductivity of MOX fuel and how it differs from UO 2. Here, molecular dynamics (MD) simulations are carried out to determine quantitatively, the effect of mixing on the thermal conductivity of U xPu 1-xO 2, as a function of PuO 2 concentrations, for a range of temperatures, 300 – 1500 K. The results will be used to develop enhanced continuum thermal conductivity models for MARMOT and BISON by INL. These models express the thermal conductivity as a function of microstructure state-variables, thus enabling thermal conductivity models with closer connection to the physical state of the fuel.« less

Durability test on irradiated rock-like oxide fuels

NASA Astrophysics Data System (ADS)

Kuramoto, K.; Nitani, N.; Yamashita, T.

2003-06-01

For a profitable use of Pu, Japan Atomic Energy Research Institute has been promoting researches for once-through type fuels. The strategy consists of stable rock-like oxide fuel fabrication in conventional fuel facilities followed by almost complete Pu burning in LWR and disposal of chemically stable spent fuel without further processing. Because leach rates of hazardous nuclides, such as TRU and β-emitters, that have long half-lives, are very important for the evaluation of geological safety, leaching tests in deionized water at 363 K were performed with reference to the MCC-1 method. Five irradiated fuel pellets, a single phase fuel of a yttria-stabilized zirconia (YSZ) containing UO 2 (U-YSZ), two fuels of U-YSZ particle dispersed in MgAl 2O 4 (SPI) or Al 2O 3 (COR) matrix, two homogeneous-blended fuels of U-YSZ and SPI or COR powders, were submitted to the tests. Stainless steel containers with Au coating and ethylene propylene diene monomer were used as leaching vessels and packing, respectively. The evaluated normalized leach rates of Zr, U and Pu were obviously lower than those of the other important elements and nuclides. Americium, Np and especially Y showed unexpectedly high evaluated normalized leach rates. The volatile elements, Cs and I, showed enhanced leaching within particle-dispersed type fuels because of crack formation around the particle.

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 metallic or nitride Th fuels relative to the U counterpart fuels. (authors)« less

Unique phase identification of trimetallic copper iron manganese oxygen carrier using simultaneous differential scanning calorimetry/thermogravimetric analysis during chemical looping combustion reactions with methane

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

Benincosa, William; Siriwardane, Ranjani; Tian, Hanjing

Chemical looping combustion (CLC) is a promising combustion technology that generates heat and sequestration-ready carbon dioxide that is undiluted by nitrogen from the combustion of carbonaceous fuels with an oxygen carrier, or metal oxide. This process is highly dependent on the reactivity and stability of the oxygen carrier. The development of oxygen carriers remains one of the major barriers for commercialization of CLC. Synthetic oxygen carriers, consisting of multiple metal components, have demonstrated enhanced performance and improved CLC operation compared to single metal oxides. However, identification of the complex mixed metal oxide phases that form after calcination or during CLCmore » reactions has been challenging. Without an understanding of the dominant metal oxide phase, it is difficult to determine reaction parameters and the oxygen carrier reduction pathway, which are necessary for CLC reactor design. This is particularly challenging for complex multi-component oxygen carriers such as copper iron manganese oxide (CuFeMnO 4). This study aims to differentiate the unique phase formation of a highly reactive, complex trimetallic oxygen carrier, CuFeMnO 4, from its single and bimetallic counterparts using thermochemical and reaction data obtained from simultaneous differential scanning calorimetry (DSC) and thermogravimetric analysis (TGA) during temperature programmed reductions (TPR) with methane. DSC/TGA experiments during TPR with methane provides heat flow data and corresponding reaction rate data that can be used to determine reaction routes and mechanisms during methane reduction. Furthermore, non-isothermal TPR data provides the advantage of distinguishing reactions that may not be observable in isothermal analysis. The detailed thermochemical and reaction data, obtained during TPR with methane, distinguished a unique reduction pathway for CuFeMnO 4 that differed from its single and bimetallic counterparts. This is remarkable since X-ray diffraction (XRD) data alone could not be used to distinguish the reactive trimetallic oxide phase due to overlapping peaks from various single and mixed metal oxides. The unique reduction pathway of CuFeMnO 4 was further characterized in this study using in-situ XRD TPR with methane to determine changes in the dominant trimetallic phase that influenced the thermochemical and reaction rate data.« less

Nanostructured Indium Oxide Coated Silicon Nanowire Arrays: A Hybrid Photothermal/Photochemical Approach to Solar Fuels.

PubMed

Hoch, Laura B; O'Brien, Paul G; Jelle, Abdinoor; Sandhel, Amit; Perovic, Douglas D; Mims, Charles A; Ozin, Geoffrey A

2016-09-27

The field of solar fuels seeks to harness abundant solar energy by driving useful molecular transformations. Of particular interest is the photodriven conversion of greenhouse gas CO2 into carbon-based fuels and chemical feedstocks, with the ultimate goal of providing a sustainable alternative to traditional fossil fuels. Nonstoichiometric, hydroxylated indium oxide nanoparticles, denoted In2O3-x(OH)y, have been shown to function as active photocatalysts for CO2 reduction to CO via the reverse water gas shift reaction under simulated solar irradiation. However, the relatively wide band gap (2.9 eV) of indium oxide restricts the portion of the solar irradiance that can be utilized to ∼9%, and the elevated reaction temperatures required (150-190 °C) reduce the overall energy efficiency of the process. Herein we report a hybrid catalyst consisting of a vertically aligned silicon nanowire (SiNW) support evenly coated by In2O3-x(OH)y nanoparticles that utilizes the vast majority of the solar irradiance to simultaneously produce both the photogenerated charge carriers and heat required to reduce CO2 to CO at a rate of 22.0 μmol·gcat(-1)·h(-1). Further, improved light harvesting efficiency of the In2O3-x(OH)y/SiNW films due to minimized reflection losses and enhanced light trapping within the SiNW support results in a ∼6-fold increase in photocatalytic conversion rates over identical In2O3-x(OH)y films prepared on roughened glass substrates. The ability of this In2O3-x(OH)y/SiNW hybrid catalyst to perform the dual function of utilizing both light and heat energy provided by the broad-band solar irradiance to drive CO2 reduction reactions represents a general advance that is applicable to a wide range of catalysts in the field of solar fuels.

Unique phase identification of trimetallic copper iron manganese oxygen carrier using simultaneous differential scanning calorimetry/thermogravimetric analysis during chemical looping combustion reactions with methane

DOE PAGES

Benincosa, William; Siriwardane, Ranjani; Tian, Hanjing; ...

2017-07-05

Chemical looping combustion (CLC) is a promising combustion technology that generates heat and sequestration-ready carbon dioxide that is undiluted by nitrogen from the combustion of carbonaceous fuels with an oxygen carrier, or metal oxide. This process is highly dependent on the reactivity and stability of the oxygen carrier. The development of oxygen carriers remains one of the major barriers for commercialization of CLC. Synthetic oxygen carriers, consisting of multiple metal components, have demonstrated enhanced performance and improved CLC operation compared to single metal oxides. However, identification of the complex mixed metal oxide phases that form after calcination or during CLCmore » reactions has been challenging. Without an understanding of the dominant metal oxide phase, it is difficult to determine reaction parameters and the oxygen carrier reduction pathway, which are necessary for CLC reactor design. This is particularly challenging for complex multi-component oxygen carriers such as copper iron manganese oxide (CuFeMnO 4). This study aims to differentiate the unique phase formation of a highly reactive, complex trimetallic oxygen carrier, CuFeMnO 4, from its single and bimetallic counterparts using thermochemical and reaction data obtained from simultaneous differential scanning calorimetry (DSC) and thermogravimetric analysis (TGA) during temperature programmed reductions (TPR) with methane. DSC/TGA experiments during TPR with methane provides heat flow data and corresponding reaction rate data that can be used to determine reaction routes and mechanisms during methane reduction. Furthermore, non-isothermal TPR data provides the advantage of distinguishing reactions that may not be observable in isothermal analysis. The detailed thermochemical and reaction data, obtained during TPR with methane, distinguished a unique reduction pathway for CuFeMnO 4 that differed from its single and bimetallic counterparts. This is remarkable since X-ray diffraction (XRD) data alone could not be used to distinguish the reactive trimetallic oxide phase due to overlapping peaks from various single and mixed metal oxides. The unique reduction pathway of CuFeMnO 4 was further characterized in this study using in-situ XRD TPR with methane to determine changes in the dominant trimetallic phase that influenced the thermochemical and reaction rate data.« less

Spray combustion modeling

NASA Technical Reports Server (NTRS)

Bellan, J.

1997-01-01

Concern over the future availability of high quality liquid fuels or use in furnaces and boilers prompted the U. S. Department of Energy (DOE) to consider alternate fuels as replacements for the high grade liquid fuels used in the 1970's and 1980's. Alternate fuels were defined to be combinations of a large percentage of viscous, low volatility fuels resulting from the low end of distillation mixed with a small percentage of relatively low viscosity, high volatility fuels yielded by the high end of distillation. The addition of high volatility fuels was meant to promote desirable characteristics to a fuel that would otherwise be difficult to atomize and burn and whose combustion would yield a high amount of pollutants. Several questions thus needed to be answered before alternate fuels became commercially viable. These questions were related to fuel atomization, evaporation, ignition, combustion and pollutant formation. This final report describes the results of the most significant studies on ignition and combustion of alternative fuels.

Fuels planning: science synthesis and integration; forest structure and fire hazard fact sheet 03: visualizing forest structure and fuels

Treesearch

Rocky Mountain Research Station USDA Forest Service

2004-01-01

The software described in this fact sheet provides managers with tools for visualizing forest and fuels information. Computer-based landscape simulations can help visualize stand and landscape conditions and the effects of different management treatments and fuel changes over time. These visualizations can assist forest planning by considering a range of management...

SUNgas: Thermochemical Approaches to Solar Fuels

NASA Astrophysics Data System (ADS)

Davidson, Jane

2013-04-01

Solar energy offers an intelligent solution to reduce anthropogenic emissions of greenhouse gases and to meet an expanding global demand for energy. A transformative change from fossil to solar energy requires collection, storage, and transport of the earth's most abundant but diffuse and intermittent source of energy. One intriguing approach for harvest and storage of solar energy is production of clean fuels via high temperature thermochemical processes. Concentrated solar energy is the heat source and biomass or water and carbon dioxide are the feedstocks. Two routes to produce fuels using concentrated solar energy and a renewable feed stock will be discussed: gasification of biomass or other carbonaceous materials and metal oxide cycles to produce synthesis gas. The first and most near term route to solar fuels is to gasify biomass. With conventional gasification, air or oxygen is supplied at fuel-rich levels to combust some of the feedstock and in this manner generate the energy required for conversion to H2 and CO. The partial-combustion consumes up to 40% of the energetic value of the feedstock. With air combustion, the product gas is diluted by high levels of CO2 and N2. Using oxygen reduces the product dilution, but at the expense of adding an oxygen plant. Supplying the required heat with concentrated solar radiation eliminates the need for partial combustion of the biomass feedstock. As a result, the product gas has an energetic value greater than that of the feedstock and it is not contaminated by the byproducts of combustion. The second promising route to solar fuels splits water and carbon dioxide. Two-step metal-oxide redox cycles hold out great potential because they the temperature required to achieve a reasonable degree of dissociation is lower than direct thermal dissociation and O2 and the fuel are produced in separate steps. The 1^st step is the endothermic thermal dissociation of the metal oxide to the metal or lower-valence metal oxide. The 2^nd exothermic step is the hydrolysis of the reduced metal to form H2 and the corresponding metal oxide. Two promising options for 2-step cycles, the Zn/ZnO and non-stoichiometric ceria redox cycles, will be compared with a focus on efficiency and state of the art achievements.

Reactors as a Source of Antineutrinos: Effects of Fuel Loading and Burnup for Mixed-Oxide Fuels

NASA Astrophysics Data System (ADS)

Bernstein, Adam; Bowden, Nathaniel S.; Erickson, Anna S.

2018-01-01

In a conventional light-water reactor loaded with a range of uranium and plutonium-based fuel mixtures, the variation in antineutrino production over the cycle reflects both the initial core fissile inventory and its evolution. Under an assumption of constant thermal power, we calculate the rate at which antineutrinos are emitted from variously fueled cores, and the evolution of that rate as measured by a representative ton-scale antineutrino detector. We find that antineutrino flux decreases with burnup for low-enriched uranium cores, increases for full mixed-oxide (MOX) cores, and does not appreciably change for cores with a MOX fraction of approximately 75%. Accounting for uncertainties in the fission yields in the emitted antineutrino spectra and the detector response function, we show that the difference in corewide MOX fractions at least as small as 8% can be distinguished using a hypothesis test. The test compares the evolution of the antineutrino rate relative to an initial value over part or all of the cycle. The use of relative rates reduces the sensitivity of the test to an independent thermal power measurement, making the result more robust against possible countermeasures. This rate-only approach also offers the potential advantage of reducing the cost and complexity of the antineutrino detectors used to verify the diversion, compared to methods that depend on the use of the antineutrino spectrum. A possible application is the verification of the disposition of surplus plutonium in nuclear reactors.

Starting of rocket engine at conditions of simulated altitude using crude monoethylaniline and other fuels with mixed acid

NASA Technical Reports Server (NTRS)

Ladanyi, Dezso J; Sloop, John L; Humphrey, Jack C; Morrell, Gerald

1950-01-01

Experiments were conducted at sea level and pressure altitude of about 55,000 feet at various temperatures to determine starting characteristics of a commercial rocket engine using crude monoethylaniline and other fuels with mixed acid. With crude monoethylaniline, ignition difficulties were encountered at temperatures below about 20 degrees F. With mixed butyl mercaptans, water-white turpentine, and x-pinene, no starting difficulties were experienced at temperatures as low as minus 74 degrees F. Turpentine and x-pinene, however, sometimes left deposits on the injector face. With blends containing furfuryl alcohol and with other blends, difficulties were experienced either from appreciable deposits or from starting.

Effect of oxygen on the ignition of liquid fuels

NASA Technical Reports Server (NTRS)

Pahl, H

1929-01-01

The ignition temperature, ignition lag, and ignition strength of simple and homogeneous fuels in combustion air of small oxygen content differ from what they are in air of greater oxygen content. In the case of small oxygen content, these fuels behave as if mixed unevenly. In the case of air with a definite oxygen content, the simple fuels have two ignition points, between which ignition takes place within a certain temperature range. The phenomena are explained by pyrogenous decomposition, comparison of the individual heat quantities, and the effect of the walls.

Effect of fuels reduction on American martens and their prey.

Treesearch

Evelyn L. Bull; Arlene K. Blumton

1999-01-01

The effect of a fuels reduction treatment on small mammals was investigated in lodgepole pine (Pinus contorta) and mixed conifer stands by trapping and track surveys in northeastern Oregon. The number of red squirrel (Tamiasciurus hudsonicus) and snowshoe hare (Lepus americanus) tracks decreased in all...

Ba6-3 x Nd8+2 x Ti18O54 Tungsten Bronze: A New High-Temperature n-Type Oxide Thermoelectric

NASA Astrophysics Data System (ADS)

Azough, Feridoon; Freer, Robert; Yeandel, Stephen R.; Baran, Jakub D.; Molinari, Marco; Parker, Stephen C.; Guilmeau, Emmanuel; Kepaptsoglou, Demie; Ramasse, Quentin; Knox, Andy; Gregory, Duncan; Paul, Douglas; Paul, Manosh; Montecucco, Andrea; Siviter, Jonathan; Mullen, Paul; Li, Wenguan; Han, Guang; Man, Elena A.; Baig, Hasan; Mallick, Tapas; Sellami, Nazmi; Min, Gao; Sweet, Tracy

2016-03-01

Semiconducting Ba6-3 x Nd8+2 x Ti18O54 ceramics (with x = 0.00 to 0.85) were synthesized by the mixed oxide route followed by annealing in a reducing atmosphere; their high-temperature thermoelectric properties have been investigated. In conjunction with the experimental observations, atomistic simulations have been performed to investigate the anisotropic behavior of the lattice thermal conductivity. The ceramics show promising n-type thermoelectric properties with relatively high Seebeck coefficient, moderate electrical conductivity, and temperature-stable, low thermal conductivity; For example, the composition with x = 0.27 (i.e., Ba5.19Nd8.54Ti18O54) exhibited a Seebeck coefficient of S 1000K = 210 µV/K, electrical conductivity of σ 1000K = 60 S/cm, and thermal conductivity of k 1000K = 1.45 W/(m K), leading to a ZT value of 0.16 at 1000 K.

Preparation of uniform nanoparticles of ultra-high purity metal oxides, mixed metal oxides, metals, and metal alloys

DOEpatents

Woodfield, Brian F.; Liu, Shengfeng; Boerio-Goates, Juliana; Liu, Qingyuan; Smith, Stacey Janel

2012-07-03

In preferred embodiments, metal nanoparticles, mixed-metal (alloy) nanoparticles, metal oxide nanoparticles and mixed-metal oxide nanoparticles are provided. According to embodiments, the nanoparticles may possess narrow size distributions and high purities. In certain preferred embodiments, methods of preparing metal nanoparticles, mixed-metal nanoparticles, metal oxide nanoparticles and mixed-metal nanoparticles are provided. These methods may provide tight control of particle size, size distribution, and oxidation state. Other preferred embodiments relate to a precursor material that may be used to form nanoparticles. In addition, products prepared from such nanoparticles are disclosed.

Nanostructured Mn-Fe Binary Mixed Oxide: Synthesis, Characterization and Evaluation for Arsenic Removal.

PubMed

Pillewan, Pradnya; Mukherjee, Shrabanti; Bansiwal, Amit; Rayalu, Sadhana

2014-07-01

Adsorption of arsenic on bimetallic Mn and Fe mixed oxide was carried out using both field as well as simulated water. The material was synthesized using hydrothermal method and characterized using X-ray diffraction (XRD) and scanning electron microscopy (SEM). Langmuir and Freundlich adsorption isotherms were computed using batch adsorption studies to determine the adsorption capacity of Mn-Fe binary mixed oxide for arsenic. Adsorption capacity for MFBMO obtained from Freundlich model was found to be 2.048 mg/g for simulated water and 1.084 mg/g for field water. Mn-Fe binary mixed oxide was found to be effective adsorbent for removal of arsenic from water.

Microwave synthesis and electrochemical characterization of Mn/Ni mixed oxide for supercapacitor application

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

Prasankumar, T.; Jose, Sujin P., E-mail: sujamystica@yahoo.com; Ilangovan, R.

Nanostructured Mn/Ni mixed metal oxide was synthesized at ambient temperature by facile microwave irradiation technique. The crystal structure and surface morphology were characterized by X-ray diffraction (XRD) and scanning electron microscopy (SEM), respectively. X-ray diffraction analysis confirmed the formation of Mn/Ni mixed oxide in rhombohedral phase and the grain size calculated was found to be 87 nm. The irregular spherical morphology of the prepared sample was exhibited by the SEM images. The characteristic peaks of FTIR at about 630 cm{sup −1} and 749 cm{sup −1} were attributed to the Mn-O and Ni-O stretching vibrations respectively. The presence of both Mn and Ni inmore » the prepared sample was validated by the EDS spectra which in turn confirmed the formation of mixed oxide. Cyclic voltammetry and galvanostatic chargedischarge measurements were employed to investigate the electrochemical performance of the mixed oxide. The cyclic voltammetry curves demonstrated good capacitive performance of the sample in the potential window −0.2V to 0.9V. The charge discharge study revealed the suitability of the prepared mixed oxide for the fabrication of supercapacitor electrode.« less

Nanotechnology Investigated for Future Gelled and Metallized Gelled Fuels

NASA Technical Reports Server (NTRS)

Palaszewski, Bryan A.

2003-01-01

The objective of this research is to create combustion data for gelled and metallized gelled fuels using unique nanometer-sized gellant particles and/or nanometer-sized aluminum particles. Researchers at the NASA Glenn Research Center are formulating the fuels for both gas turbine and pulsed detonation engines. We intend to demonstrate metallized gelled fuel ignition characteristics for pulse detonation engines with JP/aluminum fuel and for gas turbine engines with gelled JP, propane, and methane fuel. The fuels to be created are revolutionary as they will deliver the highest theoretically maximum performance of gelled and metallized gelled fuels. Past combustion work has used micrometer-sized particles, which have limited the combustion performance of gelled and metallized gelled fuels. The new fuel used nanometer-sized aluminum oxide particles, which reduce the losses due to mismatch in the gas and solid phases in the exhaust. Gelled fuels provide higher density, added safety, reduced fuel slosh, reduced leakage, and increased exhaust velocity. Altogether, these benefits reduce the overall size and mass of the vehicle, increasing its flexibility.

Development of Kinetic Mechanisms for Next-Generation Fuels and CFD Simulation of Advanced Combustion Engines

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

Pitz, William J.; McNenly, Matt J.; Whitesides, Russell

Predictive chemical kinetic models are needed to represent next-generation fuel components and their mixtures with conventional gasoline and diesel fuels. These kinetic models will allow the prediction of the effect of alternative fuel blends in CFD simulations of advanced spark-ignition and compression-ignition engines. Enabled by kinetic models, CFD simulations can be used to optimize fuel formulations for advanced combustion engines so that maximum engine efficiency, fossil fuel displacement goals, and low pollutant emission goals can be achieved.

Fermentative process for making inorganic nanoparticles

DOEpatents

Phelps, Tommy J.; Lauf, Robert J.; Moon, Ji-Won; Roh, Yul

2006-06-13

A method for producing mixed metal oxide compounds includes the steps of: providing a supply of a metal reducing bacteria; providing a culture medium suitable for growth of the bacteria; providing a first mixed metal oxide phase comprising at least a first and a second metal, at least one of the first and second metal being reducible from a higher to a lower oxidation state by the bacteria; and, combining the bacteria, the culture medium, the first mixed metal oxide, and at least one electron donor in a reactor, wherein the bacteria reduces at least one of the first metal and the second metal from the higher to the lower oxidation state to form a second mixed metal oxide phase.

Rational Design of a Water-Storable Hierarchical Architecture Decorated with Amorphous Barium Oxide and Nickel Nanoparticles as a Solid Oxide Fuel Cell Anode with Excellent Sulfur Tolerance.

PubMed

Song, Yufei; Wang, Wei; Ge, Lei; Xu, Xiaomin; Zhang, Zhenbao; Julião, Paulo Sérgio Barros; Zhou, Wei; Shao, Zongping

2017-11-01

Solid oxide fuel cells (SOFCs), which can directly convert chemical energy stored in fuels into electric power, represent a useful technology for a more sustainable future. They are particularly attractive given that they can be easily integrated into the currently available fossil fuel infrastructure to realize an ideal clean energy system. However, the widespread use of the SOFC technology is hindered by sulfur poisoning at the anode caused by the sulfur impurities in fossil fuels. Therefore, improving the sulfur tolerance of the anode is critical for developing SOFCs for use with fossil fuels. Herein, a novel, highly active, sulfur-tolerant anode for intermediate-temperature SOFCs is prepared via a facile impregnation and limited reaction protocol. During synthesis, Ni nanoparticles, water-storable BaZr 0.4 Ce 0.4 Y 0.2 O 3- δ (BZCY) perovskite, and amorphous BaO are formed in situ and deposited on the surface of a Sm 0.2 Ce 0.8 O 1.9 (SDC) scaffold. More specifically, a porous SDC scaffold is impregnated with a well-designed proton-conducting perovskite oxide liquid precursor with the nominal composition of Ba(Zr 0.4 Ce 0.4 Y 0.2 ) 0.8 Ni 0.2 O 3- δ (BZCYN), calcined and reduced in hydrogen. The as-synthesized hierarchical architecture exhibits high H 2 electro-oxidation activity, excellent operational stability, superior sulfur tolerance, and good thermal cyclability. This work demonstrates the potential of combining nanocatalysts and water-storable materials in advanced electrocatalysts for SOFCs.

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.

Thermal stress analysis of sulfur deactivated solid oxide fuel cells

NASA Astrophysics Data System (ADS)

Zeng, Shumao; Parbey, Joseph; Yu, Guangsen; Xu, Min; Li, Tingshuai; Andersson, Martin

2018-03-01

Hydrogen sulfide in fuels can deactivate catalyst for solid oxide fuel cells, which has become one of the most critical challenges to stability. The reactions between sulfur and catalyst will cause phase changes, leading to increase in cell polarization and mechanical mismatch. A three-dimensional computational fluid dynamics (CFD) approach based on the finite element method (FEM) is thus used to investigate the polarization, temperature and thermal stress in a sulfur deactivated SOFC by coupling equations for gas-phase species, heat, momentum, ion and electron transport. The results indicate that sulfur in fuels can strongly affect the cell polarization and thermal stresses, which shows a sharp decrease in the vicinity of electrolyte when 10% nickel in the functional layer is poisoned, but they remain almost unchanged even when the poisoned Ni content was increased to 90%. This investigation is helpful to deeply understand the sulfur poisoning effects and also benefit the material design and optimization of electrode structure to enhance cell performance and lifetimes in various hydrocarbon fuels containing impurities.

Catalyst support of mixed cerium zirconium titanium oxide, including use and method of making

DOEpatents

Willigan, Rhonda R [Manchester, CT; Vanderspurt, Thomas Henry [Glastonbury, CT; Tulyani, Sonia [Manchester, CT; Radhakrishnan, Rakesh [Vernon, CT; Opalka, Susanne Marie [Glastonbury, CT; Emerson, Sean C [Broad Brook, CT

2011-01-18

A durable catalyst support/catalyst is capable of extended water gas shift operation under conditions of high temperature, pressure, and sulfur levels. The support is a homogeneous, nanocrystalline, mixed metal oxide of at least three metals, the first being cerium, the second being Zr, and/or Hf, and the third importantly being Ti, the three metals comprising at least 80% of the metal constituents of the mixed metal oxide and the Ti being present in a range of 5% to 45% by metals-only atomic percent of the mixed metal oxide. The mixed metal oxide has an average crystallite size less than 6 nm and forms a skeletal structure with pores whose diameters are in the range of 4-9 nm and normally greater than the average crystallite size. The surface area of the skeletal structure per volume of the material of the structure is greater than about 240 m.sup.2/cm.sup.3. The method of making and use are also described.

Corrigendum to "Preliminary assessment of accident-tolerant fuels on LWR performance during normal operation and under DB and BDB accident conditions" [J. Nucl. Mater. 448 (2014) 520-533

NASA Astrophysics Data System (ADS)

Ott, L. J.; Robb, K. R.; Wang, D.

2015-06-01

In Section 5.2, certain material properties for "FeCrAl oxide" were not modeled based on "stainless steel oxide" as indicated in the text. Instead, the "FeCrAl oxide" material properties were modeled using the default properties in MELCOR for "zirconium oxide". The properties affected are the FeCrAl oxide density, specific heat, enthalpy, thermal conductivity, melting point, and latent heat of fusion. Table 5.1 and Figs. 5.1a-d from Section 5.2 have been corrected below. As discussed below, the overall conclusions of the paper remain unchanged.

TRANSURANUS: a fuel rod analysis code ready for use

NASA Astrophysics Data System (ADS)

Lassmann, K.

1992-06-01

TRANSURANUS is a computer program for the thermal and mechanical analysis of fuel rods in nuclear reactors and was developed at the European Institute for Transuranium Elements (TUI). The TRANSURANUS code consists of a clearly defined mechanical-mathematical framework into which physical models can easily be incorporated. Besides its flexibility for different fuel rod designs the TRANSURANUS code can deal with very different situations, as given for instance in an experiment, under normal, off-normal and accident conditions. The time scale of the problems to be treated may range from milliseconds to years. The code has a comprehensive material data bank for oxide, mixed oxide, carbide and nitride fuels, Zircaloy and steel claddings and different coolants. During its development great effort was spent on obtaining an extremely flexible tool which is easy to handle, exhibiting very fast running times. The total development effort is approximately 40 man-years. In recent years the interest to use this code grew and the code is in use in several organisations, both research and private industry. The code is now available to all interested parties. The paper outlines the main features and capabilities of the TRANSURANUS code, its validation and treats also some practical aspects.

Sr 2Fe 1.5Mo 0.5O 6- δ as a regenerative anode for solid oxide fuel cells

NASA Astrophysics Data System (ADS)

Liu, Qiang; Bugaris, Daniel E.; Xiao, Guoliang; Chmara, Maxwell; Ma, Shuguo; zur Loye, Hans-Conrad; Amiridis, Michael D.; Chen, Fanglin

Sr 2Fe 1.5Mo 0.5O 6- δ (SFM) was prepared using a microwave-assisted combustion synthesis method. Rietveld refinement of powder X-ray diffraction data reveals that SFM crystallizes in the simple cubic perovskite structure with iron and molybdenum disordered on the B-site. No structure transition was observed by variable temperature powder X-ray diffraction measurements in the temperature range of 25-800 °C. XPS results show that the iron and molybdenum valences change with an increase in temperature, where the mixed oxidation states of both iron and molybdenum are believed to be responsible for the increase in the electrical conductivity with increasing temperature. SFM exhibits excellent redox stability and has been used as both anode and cathode for solid oxide fuel cells. Presence of sulfur species in the fuel or direct utilization of hydrocarbon fuel can result in loss of activity, however, as shown in this paper, the anode performance can be regenerated from sulfur poisoning or coking by treating the anode in an oxidizing atmosphere. Thus, SFM can be used as a regenerating anode for direct oxidation of sulfur-containing hydrocarbon fuels.

Selection Criteria for Sustainable Fuels for High-Efficiency Spark-Ignition Engines with Examination of their Storage Stability, Impact on Engine Knock, and Fine Particle Emissions

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

McCormick, Robert L

It is possible to significantly improve the efficiency of spark-ignition engines given fuels with improved autoignition, evaporative cooling, and particle emission properties. At the same time, a vast range of different fuel chemistries are accessible from biomass - leading to questions about how fuel chemistries outside the range available from petroleum and ethanol can impact engine operation. This presentation will briefly describe the factors leading to poor efficiency in current SI engines, and the technologies available for improving efficiency. Improved fuel properties that enable high efficiency engine designs to be pursued aggressively will be reviewed, including octane index and sensitivity.more » A screening process based on fuel properties was applied to a large set of proposed biomass-derived gasoline blendstocks, and the properties of the best blendstocks were evaluated. Some of these fuels exhibit poor stability towards oxidation in the liquid phase, and storage stability studies for alkyl furans and cyclopentanone will be presented in brief. The importance of fuel heat of vaporization for direct injection engines, along with new research on measurement of this parameter, will be presented including an SI engine study of the impact of heat of vaporization on octane index and engine knock. Fuel effects on fine particle emissions and how our understanding breaks down for oxygenates will be discussed. Engine combustion experiments, droplet evaporation simulations, and heat of vaporization measurements conducted to better understand how oxygenates affect particle emissions will be described. This research defines a process that can be used to evaluate fuels for other types of combustion such as diesel, gasoline compression ignition, or strategies with mixed modes.« less

Kinetic dissolution of carbonates and Mn oxides in acidic water: Measurement of in situ field rates and reactive transport modeling

USGS Publications Warehouse

Brown, J.G.; Glynn, P.D.

2003-01-01

The kinetics of carbonate and Mn oxide dissolution under acidic conditions were examined through the in situ exposure of pure phase samples to acidic ground water in Pinal Creek Basin, Arizona. The average long-term calculated in situ dissolution rates for calcite and dolomite were 1.65??10-7 and 3.64??10-10 mmol/(cm2 s), respectively, which were about 3 orders of magnitude slower than rates derived in laboratory experiments by other investigators. Application of both in situ and lab-derived calcite and dolomite dissolution rates to equilibrium reactive transport simulations of a column experiment did not improve the fit to measured outflow chemistry: at the spatial and temporal scales of the column experiment, the use of an equilibrium model adequately simulated carbonate dissolution in the column. Pyrolusite (MnO2) exposed to acidic ground water for 595 days increased slightly in weight despite thermodynamic conditions that favored dissolution. This result might be related to a recent finding by another investigator that the reductive dissolution of pyrolusite is accompanied by the precipitation of a mixed Mn-Fe oxide species. In PHREEQC reactive transport simulations, the incorporation of Mn kinetics improved the fit between observed and simulated behavior at the column and field scales, although the column-fitted rate for Mn-oxide dissolution was about 4 orders of magnitude greater than the field-fitted rate. Remaining differences between observed and simulated contaminant transport trends at the Pinal Creek site were likely related to factors other than the Mn oxide dissolution rate, such as the concentration of Fe oxide surface sites available for adsorption, the effects of competition among dissolved species for available surface sites, or reactions not included in the model.

Stabilization and immobilization of military plutonium: A non-proliferation perspective

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

Leventhal, P.

1996-05-01

The Nuclear Control Institute welcomes this DOE-sponsored technical workshop on stabilization and immobilization of weapons plutonium (W Pu) because of the significant contribution it can make toward the ultimate non-proliferation objective of eliminating weapons-usable nuclear material, plutonium and highly enriched uranium (HEU), from world commerce. The risk of theft or diversion of these materials warrants concern, as only a few kilograms in the hands of terrorists or threshold states would give them the capability to build nuclear weapons. Military plutonium disposition questions cannot be addressed in isolation from civilian plutonium issues. The National Academy of Sciences has urged that {open_quotes}furthermore » steps should be taken to reduce the proliferation risks posed by all of the world`s plutonium stocks, military and civilian, separated and unseparated...{close_quotes}. This report discusses vitrification and a mixed oxide fuels option, and the effects of disposition choices on civilian plutonium fuel cycles.« less

Assessment of bio-fuel options for solid oxide fuel cell applications

NASA Astrophysics Data System (ADS)

Lin, Jiefeng

Rising concerns of inadequate petroleum supply, volatile crude oil price, and adverse environmental impacts from using fossil fuels have spurred the United States to promote bio-fuel domestic production and develop advanced energy systems such as fuel cells. The present dissertation analyzed the bio-fuel applications in a solid oxide fuel cell-based auxiliary power unit from environmental, economic, and technological perspectives. Life cycle assessment integrated with thermodynamics was applied to evaluate the environmental impacts (e.g., greenhouse gas emission, fossil energy consumption) of producing bio-fuels from waste biomass. Landfill gas from municipal solid wastes and biodiesel from waste cooking oil are both suggested as the promising bio-fuel options. A nonlinear optimization model was developed with a multi-objective optimization technique to analyze the economic aspect of biodiesel-ethanol-diesel ternary blends used in transportation sectors and capture the dynamic variables affecting bio-fuel productions and applications (e.g., market disturbances, bio-fuel tax credit, policy changes, fuel specification, and technological innovation). A single-tube catalytic reformer with rhodium/ceria-zirconia catalyst was used for autothermal reformation of various heavy hydrocarbon fuels (e.g., diesel, biodiesel, biodiesel-diesel, and biodiesel-ethanol-diesel) to produce a hydrogen-rich stream reformates suitable for use in solid oxide fuel cell systems. A customized mixing chamber was designed and integrated with the reformer to overcome the technical challenges of heavy hydrocarbon reformation. A thermodynamic analysis, based on total Gibbs free energy minimization, was implemented to optimize the operating environment for the reformations of various fuels. This was complimented by experimental investigations of fuel autothermal reformation. 25% biodiesel blended with 10% ethanol and 65% diesel was determined to be viable fuel for use on a truck travelling with 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.

Strategies for Carbon and Sulfur Tolerant Solid Oxide Fuel Cell Materials, Incorporating Lessons from Heterogeneous Catalysis.

PubMed

Boldrin, Paul; Ruiz-Trejo, Enrique; Mermelstein, Joshua; Bermúdez Menéndez, José Miguel; Ramı Rez Reina, Tomás; Brandon, Nigel P

2016-11-23

Solid oxide fuel cells (SOFCs) are a rapidly emerging energy technology for a low carbon world, providing high efficiency, potential to use carbonaceous fuels, and compatibility with carbon capture and storage. However, current state-of-the-art materials have low tolerance to sulfur, a common contaminant of many fuels, and are vulnerable to deactivation due to carbon deposition when using carbon-containing compounds. In this review, we first study the theoretical basis behind carbon and sulfur poisoning, before examining the strategies toward carbon and sulfur tolerance used so far in the SOFC literature. We then study the more extensive relevant heterogeneous catalysis literature for strategies and materials which could be incorporated into carbon and sulfur tolerant fuel cells.

Thorium-based mixed oxide fuel in a pressurized water reactor: A feasibility analysis with MCNP

NASA Astrophysics Data System (ADS)

Tucker, Lucas Powelson

This dissertation investigates techniques for spent fuel monitoring, and assesses the feasibility of using a thorium-based mixed oxide fuel in a conventional pressurized water reactor for plutonium disposition. Both non-paralyzing and paralyzing dead-time calculations were performed for the Portable Spectroscopic Fast Neutron Probe (N-Probe), which can be used for spent fuel interrogation. Also, a Canberra 3He neutron detector's dead-time was estimated using a combination of subcritical assembly measurements and MCNP simulations. Next, a multitude of fission products were identified as candidates for burnup and spent fuel analysis of irradiated mixed oxide fuel. The best isotopes for these applications were identified by investigating half-life, photon energy, fission yield, branching ratios, production modes, thermal neutron absorption cross section and fuel matrix diffusivity. 132I and 97Nb were identified as good candidates for MOX fuel on-line burnup analysis. In the second, and most important, part of this work, the feasibility of utilizing ThMOX fuel in a pressurized water reactor (PWR) was first examined under steady-state, beginning of life conditions. Using a three-dimensional MCNP model of a Westinghouse-type 17x17 PWR, several fuel compositions and configurations of a one-third ThMOX core were compared to a 100% UO2 core. A blanket-type arrangement of 5.5 wt% PuO2 was determined to be the best candidate for further analysis. Next, the safety of the ThMOX configuration was evaluated through three cycles of burnup at several using the following metrics: axial and radial nuclear hot channel factors, moderator and fuel temperature coefficients, delayed neutron fraction, and shutdown margin. Additionally, the performance of the ThMOX configuration was assessed by tracking cycle length, plutonium destroyed, and fission product poison concentration.

Processing of solid solution, mixed uranium/refractory metal carbides for advanced space nuclear power and propulsion systems

NASA Astrophysics Data System (ADS)

Knight, Travis Warren

Nuclear thermal propulsion (NTP) and space nuclear power are two enabling technologies for the manned exploration of space and the development of research outposts in space and on other planets such as Mars. Advanced carbide nuclear fuels have been proposed for application in space nuclear power and propulsion systems. This study examined the processing technologies and optimal parameters necessary to fabricate samples of single phase, solid solution, mixed uranium/refractory metal carbides. In particular, the pseudo-ternary carbide, UC-ZrC-NbC, system was examined with uranium metal mole fractions of 5% and 10% and corresponding uranium densities of 0.8 to 1.8 gU/cc. Efforts were directed to those methods that could produce simple geometry fuel elements or wafers such as those used to fabricate a Square Lattice Honeycomb (SLHC) fuel element and reactor core. Methods of cold uniaxial pressing, sintering by induction heating, and hot pressing by self-resistance heating were investigated. Solid solution, high density (low porosity) samples greater than 95% TD were processed by cold pressing at 150 MPa and sintering above 2600 K for times longer than 90 min. Some impurity oxide phases were noted in some samples attributed to residual gases in the furnace during processing. Also, some samples noted secondary phases of carbon and UC2 due to some hyperstoichiometric powder mixtures having carbon-to-metal ratios greater than one. In all, 33 mixed carbide samples were processed and analyzed with half bearing uranium as ternary carbides of UC-ZrC-NbC. Scanning electron microscopy, x-ray diffraction, and density measurements were used to characterize samples. Samples were processed from powders of the refractory mono-carbides and UC/UC 2 or from powders of uranium hydride (UH3), graphite, and refractory metal carbides to produce hypostoichiometric mixed carbides. Samples processed from the constituent carbide powders and sintered at temperatures above the melting point of UC showed signs of liquid phase sintering and were shown to be largely solid solutions. Pre-compaction of mixed carbide powders prior to sintering was shown to be necessary to achieve high densities. Hypostoichiometric, samples processed at 2500 K exhibited only the initial stage of sintering and solid solution formation. Based on these findings, a suggested processing methodology is proposed for producing high density, solid solution, mixed carbide fuels. Pseudo-binary, refractory carbide samples hot pressed at 3100 K and 6 MPa showed comparable densities (approximately 85% of the theoretical value) to samples processed by cold pressing and sintering at temperatures of 2800 K.

Property Control of (Perfluorinated Ionomer)/(Inorganic Oxide) Composites by Tailoring the Nanoscale Morphology

DTIC Science & Technology

1994-06-10

RPeport PROPERTY CONTROL OF ( PERFLUORINATED IONOMER)/(INORGANIC OXIDE) COMPOSITES BY TAILORING THE NANOSCALE MORPHOLOGY Kenneth A. Mauritz and Robert...Concept ......................................... 45 B. [Si0 2 -TiO2 (mixed)]/Nafion Nanocomposites: Sorption of Pre-Mixed Alkoxides...Nanocomposites: Sorption of Pre- Mixed Alkoxides ......................................... 49 A. Experimental Procedure ............................. 49 B

Reducing hazardous fuels on nonindustrial private forests: factors influencing landowner decisions

Treesearch

A. Paige Fischer

2011-01-01

In mixed-ownership landscapes, fuels conditions on private lands have implications for fire risk on public lands and vice versa. The success of efforts to mitigate fire risk depends on the extent, efficacy, and coordination of treatments on nearby ownerships. Understanding factors in forest owners' decisions to address the risk of wildland fire is therefore...

Thermal conversion of biomass to valuable fuels, chemical feedstocks and chemicals

DOEpatents

Peters, William A [Lexington, MA; Howard, Jack B [Winchester, MA; Modestino, Anthony J [Hanson, MA; Vogel, Fredreric [Villigen PSI, CH; Steffin, Carsten R [Herne, DE

2009-02-24

A continuous process for the conversion of biomass to form a chemical feedstock is described. The biomass and an exogenous metal oxide, preferably calcium oxide, or metal oxide precursor are continuously fed into a reaction chamber that is operated at a temperature of at least 1400.degree. C. to form reaction products including metal carbide. The metal oxide or metal oxide precursor is capable of forming a hydrolizable metal carbide. The reaction products are quenched to a temperature of 800.degree. C. or less. The resulting metal carbide is separated from the reaction products or, alternatively, when quenched with water, hydolyzed to provide a recoverable hydrocarbon gas feedstock.

Mixed oxide nanoparticles and method of making

DOEpatents

Lauf, Robert J.; Phelps, Tommy J.; Zhang, Chuanlun; Roh, Yul

2002-09-03

Methods and apparatus for producing mixed oxide nanoparticulates are disclosed. Selected thermophilic bacteria cultured with suitable reducible metals in the presence of an electron donor may be cultured under conditions that reduce at least one metal to form a doped crystal or mixed oxide composition. The bacteria will form nanoparticles outside the cell, allowing easy recovery. Selection of metals depends on the redox potentials of the reducing agents added to the culture. Typically hydrogen or glucose are used as electron donors.

Thermoresponsive complex amphiphilic block copolymer micelles investigated by laser light scattering.

PubMed

Zhao, Fang; Xie, Dinghai; Zhang, Guangzhao; Pispas, Stergios

2008-05-22

Poly(isoprene)-block-poly(ethylene oxide) (PI-b-PEO) diblock copolymers form micelles in water. The introduction of poly(ethylene oxide)-block-poly(propylene oxide)-block-poly(ethylene oxide) (PEO-b-PPO-b-PEO) triblock copolymer leads to the formation of mixed micelles through hydrophobic interaction. The dimension of the mixed micelles varies with the weight ratio (r) of PEO-b-PPO-b-PEO to PI-b-PEO. By use of laser light scattering, we have investigated the temperature dependence of the structural evolution of the micelles at different r. At r<10, the size of the mixed micelles decreases with temperature. At r>10, due to the excessive PEO-b-PPO-b-PEO chains in solution, as temperature increases, the mixed micelles aggregate into larger micelle clusters.

Simulating the Use of Alternative Fuels in a Turbofan Engine

NASA Technical Reports Server (NTRS)

Litt, Jonathan S.; Chin, Jeffrey Chevoor; Liu, Yuan

2013-01-01

The interest in alternative fuels for aviation has created a need to evaluate their effect on engine performance. The use of dynamic turbofan engine simulations enables the comparative modeling of the performance of these fuels on a realistic test bed in terms of dynamic response and control compared to traditional fuels. The analysis of overall engine performance and response characteristics can lead to a determination of the practicality of using specific alternative fuels in commercial aircraft. This paper describes a procedure to model the use of alternative fuels in a large commercial turbofan engine, and quantifies their effects on engine and vehicle performance. In addition, the modeling effort notionally demonstrates that engine performance may be maintained by modifying engine control system software parameters to account for the alternative fuel.

Composite mixed oxide ionic and electronic conductors for hydrogen separation

DOEpatents

Gopalan, Srikanth [Westborough, MA; Pal, Uday B [Dover, MA; Karthikeyan, Annamalai [Quincy, MA; Hengdong, Cui [Allston, MA

2009-09-15

A mixed ionic and electronic conducting membrane includes a two-phase solid state ceramic composite, wherein the first phase comprises an oxygen ion conductor and the second phase comprises an n-type electronically conductive oxide, wherein the electronically conductive oxide is stable at an oxygen partial pressure as low as 10.sup.-20 atm and has an electronic conductivity of at least 1 S/cm. A hydrogen separation system and related methods using the mixed ionic and electronic conducting membrane are described.

Sensitivity Analysis of Fuel Centerline Temperatures in SuperCritical Water-cooled Reactors (SCWRs)

NASA Astrophysics Data System (ADS)

Abdalla, Ayman

SuperCritical Water-cooled Reactors (SCWRs) are one of the six nuclear-reactor concepts currently being developed under the Generation-IV International Forum (GIF). A main advantage of SCW Nuclear Power Plants (NPPs) is that they offer higher thermal efficiencies compared to those of current conventional NPPs. Unlike today's conventional NPPs, which have thermal efficiencies between 30 - 35%, SCW NPPs will have thermal efficiencies within a range of 45 - 50%, owing to high operating temperatures and pressures (i.e., coolant temperatures as high as 625°C at 25 MPa pressure). The use of current fuel bundles with UO2 fuel at the high operating parameters of SCWRs may cause high fuel centerline temperatures, which could lead to fuel failure and fission gas release. Studies have shown that when the Variant-20 (43-element) fuel bundle was examined at SCW conditions, the fuel centerline temperature industry limit of 1850°C for UO2 and the sheath temperature design limit of 850°C might be exceeded. Therefore, new fuel-bundle designs, which comply with the design requirements, are required for future use in SCWRs. The main objective of this study to conduct a sensitivity analysis in order to identify the main factors that leads to fuel centerline temperature reduction. Therefore, a 54-element fuel bundle with smaller diameter of fuel elements compared to that of the 43-element bundle was designed and various nuclear fuels are examined for future use in a generic Pressure Tube (PT) SCWR. The 54-element bundle consists of 53 heated fuel elements with an outer diameter of 9.5 mm and one central unheated element of 20-mm outer diameter which contains burnable poison. The 54-element fuel bundle has an outer diameter of 103.45 mm, which is the same as the outer diameter of the 43-element fuel bundle. After developing the 54-element fuel bundle, one-dimensional heat-transfer analysis was conducted using MATLAB and NIST REFPROP programs. As a result, the Heat Transfer Coefficient (HTC), bulk-fluid, sheath and fuel centerline temperature profiles were generated along the heated length of 5.772 m for a generic fuel channel. The fuel centerline and sheath temperature profiles have been determined at four Axial Heat Flux Profiles (AHFPs) using an average thermal power per channel of 8.5 MWth. The four examined AHFPs are the uniform, cosine, upstream-skewed and downstream-skewed profiles. Additionally, this study focuses on investigating a possibility of using low, enhanced and high thermal-conductivity fuels. The low thermal-conductivity fuels, which have been examined in this study, are uranium dioxide (UO 2), Mixed Oxide (MOX) and Thoria (ThO2) fuels. The examined enhanced thermal-conductivity fuels are uranium dioxide - silicon carbide (UO2 - SiC) and uranium dioxide - beryllium oxide (UO2 - BeO). Lastly, uranium carbide (UC), uranium dicarbide (UC2) and uranium nitride (UN) are the selected high thermal-conductivity fuels, which have been proposed for use in SCWRs. A comparison has been made between the low, enhanced and high thermal-conductivity fuels in order to identify the fuel centerline temperature behaviour when different nuclear fuels are used. Also, in the process of conducting the sensitivity analysis, the HTC was calculated using the Mokry et al. correlation, which is the most accurate supercritical water heat-transfer correlation so far. The sheath and the fuel centerline temperature profiles were determined for two cases. In Case 1, the HTC was calculated based on the Mokry et al. correlation, while in Case 2, the HTC values calculated for Case 1 were multiplied by a factor of 2. This factor was used in order to identify the amount of decrease in temperatures if the heat transfer is enhanced with appendages. Results of this analysis indicate that the use of the newly developed 54-element fuel bundle along with the proposed fuels is promising when compared with the Variant-20 (43-element) fuel bundle. Overall, the fuel centerline and sheath temperatures were below the industry and design limits when most of the proposed fuels were examined in the 54-element fuel bundle, however, the fuel centerline temperature limit was exceeded while MOX fuel was examined. Keywords: SCWRs, Fuel Centerline Temperature, Sheath Temperature, High Thermal Conductivity Fuels, Low Thermal Conductivity Fuels, HTC.

Opportunities abound for affordable mechanical fuels treatment in dry mixed-conifer forests

Treesearch

Jeremy S. Fried; Theresa B. Jain

2013-01-01

The dry mixed-conifer forests that cover millions of acres in 12 western states experience low- to mixed-severity fire regimes; are typically heterogeneous in species composition, forest structure, and fuel dynamics; and grow quickly enough to generate concern about fuel treatment longevity. Yet compared to stands of pure ponderosa pine, there has been little research...

A Step Towards CO2-Neutral Aviation

NASA Technical Reports Server (NTRS)

Brankovic, Andreja; Ryder, Robert C.; Hendricks, Robert C.; Huber, Marcia L.

2008-01-01

An approximation method for evaluation of the caloric equations used in combustion chemistry simulations is described. The method is applied to generate the equations of specific heat, static enthalpy, and Gibb's free energy for fuel mixtures of interest to gas turbine engine manufacturers. Liquid-phase fuel properties are also derived. The fuels investigated include JP-8, synthetic fuel, and two blends of JP-8 and synthetic fuel. The complete set of fuel property equations for both phases are implemented into a computational fluid dynamics (CFD) flow solver database, and multiphase, reacting flow simulations of a well-tested liquid-fueled combustor are performed. The simulations are a first step in understanding combustion system performance and operational issues when using alternate fuels, at practical engine operating conditions.

Direct Numerical Simulation of Turbulent Multi-Stage Autoignition Relevant to Engine Conditions

NASA Astrophysics Data System (ADS)

Chen, Jacqueline

2017-11-01

Due to the unrivaled energy density of liquid hydrocarbon fuels combustion will continue to provide over 80% of the world's energy for at least the next fifty years. Hence, combustion needs to be understood and controlled to optimize combustion systems for efficiency to prevent further climate change, to reduce emissions and to ensure U.S. energy security. In this talk I will discuss recent progress in direct numerical simulations of turbulent combustion focused on providing fundamental insights into key `turbulence-chemistry' interactions that underpin the development of next generation fuel efficient, fuel flexible engines for transportation and power generation. Petascale direct numerical simulation (DNS) of multi-stage mixed-mode turbulent combustion in canonical configurations have elucidated key physics that govern autoignition and flame stabilization in engines and provide benchmark data for combustion model development under the conditions of advanced engines which operate near combustion limits to maximize efficiency and minimize emissions. Mixed-mode combustion refers to premixed or partially-premixed flames propagating into stratified autoignitive mixtures. Multi-stage ignition refers to hydrocarbon fuels with negative temperature coefficient behavior that undergo sequential low- and high-temperature autoignition. Key issues that will be discussed include: 1) the role of mixing in shear driven turbulence on the dynamics of multi-stage autoignition and cool flame propagation in diesel environments, 2) the role of thermal and composition stratification on the evolution of the balance of mixed combustion modes - flame propagation versus spontaneous ignition - which determines the overall combustion rate in autoignition processes, and 3) the role of cool flames on lifted flame stabilization. Finally prospects for DNS of turbulent combustion at the exascale will be discussed in the context of anticipated heterogeneous machine architectures. sponsored by DOE Office of Basic Energy Sciences and computing resources provided by the Oakridge Leadership Computing Facility through the DOE INCITE Program.

Sol–gel synthesis of SnO{sub 2}–MgO nanoparticles and their photocatalytic activity towards methylene blue degradation

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

Bayal, Nisha; Jeevanandam, P., E-mail: jeevafcy@iitr.ernet.in

2013-10-15

Graphical abstract: - Highlights: • A simple sol–gel method for the synthesis of SnO{sub 2}–MgO nanoparticles is reported. • Band gap of SnO{sub 2} can be tuned by varying the magnesium content in SnO{sub 2}–MgO. • SnO{sub 2}–MgO shows good photocatalytic activity towards degradation of methylene blue. - Abstract: SnO{sub 2}–MgO mixed metal oxide nanoparticles were prepared by a simple sol–gel method. The nanoparticles were characterized by power X-ray diffraction, scanning electron microscopy coupled with energy dispersive X-ray analysis, transmission electron microscopy and UV–vis diffuse reflectance spectroscopy. The XRD results indicate the formation of mixed metal oxide nanoparticles and alsomore » a decrease of SnO{sub 2} crystallite size in the mixed metal oxide nanoparticles with increasing magnesium oxide content. The reflectance spectroscopy results show a blue shift of the band gap of SnO{sub 2} in the mixed metal oxide nanoparticles. The photocatalytic activity of the SnO{sub 2}–MgO nanoparticles was tested using the photodegradation of aqueous methylene blue in the presence of sunlight. The results indicate that the mixed metal oxide nanoparticles possess higher efficiency for the photodegradation of methylene blue compared to pure SnO{sub 2} nanoparticles.« less

Combustion characteristics of eastern white pine bark and Douglas fir planer shavings. Technical Progress Report No. 5, September 16, 1977--September 15, 1978

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

Junge, D.C.

1978-12-01

Significant quantities of wood residue fuels are presently being used in industrial steam generating facilities. Recent studies indicate that substantial additional quantities of wood residue fuels are available for energy generation in the form of steam and/or electricity. A limited data base on the combustion characteristics of wood residue fuels has resulted in the installation and operation of inefficient combustion systems for these fuels. This investigation of the combustion characteristics of wood residue fuels was undertaken to provide a data base which could be used to optimize the combustion of such fuels. Optimization of the combustion process in industrial boilersmore » serves to improve combustion efficiency and to reduce air pollutant emissions generated in the combustion process. Data are presented on the combustion characteristics of eastern white pine bark mixed with Douglas fir planer shavings.« less

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

Underwood, R.P.

As part of the DOE-sponsored contract ``Synthesis of Dimethyl Ether and Alternative Fuels in the Liquid Phase from Coal-Derived Syngas`` experimental evaluations of the one-step synthesis of alternative fuels were carried out. The objective of this work was to develop novel processes for converting coal-derived syngas to fuels or fuel additives. Building on a technology base acquired during the development of the Liquid Phase Methanol (LPMEOH) process, this work focused on the development of slurry reactor based processes. The experimental investigations, which involved bench-scale reactor studies, focused primarily on three areas: (1) One-step, slurry-phase syngas conversion to hydrocarbons or methanol/hydrocarbonmore » mixtures using a mixture of methanol synthesis catalyst and methanol conversion catalyst in the same slurry reactor. (2) Slurry-phase conversion of syngas to mixed alcohols using various catalysts. (3) One-step, slurry-phase syngas conversion to mixed ethers using a mixture of mixed alcohols synthesis catalyst and dehydration catalyst in the same slurry reactor. The experimental results indicate that, of the three types of processes investigated, slurry phase conversion of syngas to mixed alcohols shows the most promise for further process development. Evaluations of various mixed alcohols catalysts show that a cesium-promoted Cu/ZnO/Al{sub 2}O{sub 3} methanol synthesis catalyst, developed in Air Products` laboratories, has the highest performance in terms of rate and selectivity for C{sub 2+}-alcohols. In fact, once-through conversion at industrially practical reaction conditions yielded a mixed alcohols product potentially suitable for direct gasoline blending. Moreover, an additional attractive aspect of this catalyst is its high selectivity for branched alcohols, potential precursors to iso-olefins for use in etherification.« less

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

Underwood, R.P.

As part of the DOE-sponsored contract Synthesis of Dimethyl Ether and Alternative Fuels in the Liquid Phase from Coal-Derived Syngas'' experimental evaluations of the one-step synthesis of alternative fuels were carried out. The objective of this work was to develop novel processes for converting coal-derived syngas to fuels or fuel additives. Building on a technology base acquired during the development of the Liquid Phase Methanol (LPMEOH) process, this work focused on the development of slurry reactor based processes. The experimental investigations, which involved bench-scale reactor studies, focused primarily on three areas: (1) One-step, slurry-phase syngas conversion to hydrocarbons or methanol/hydrocarbonmore » mixtures using a mixture of methanol synthesis catalyst and methanol conversion catalyst in the same slurry reactor. (2) Slurry-phase conversion of syngas to mixed alcohols using various catalysts. (3) One-step, slurry-phase syngas conversion to mixed ethers using a mixture of mixed alcohols synthesis catalyst and dehydration catalyst in the same slurry reactor. The experimental results indicate that, of the three types of processes investigated, slurry phase conversion of syngas to mixed alcohols shows the most promise for further process development. Evaluations of various mixed alcohols catalysts show that a cesium-promoted Cu/ZnO/Al[sub 2]O[sub 3] methanol synthesis catalyst, developed in Air Products' laboratories, has the highest performance in terms of rate and selectivity for C[sub 2+]-alcohols. In fact, once-through conversion at industrially practical reaction conditions yielded a mixed alcohols product potentially suitable for direct gasoline blending. Moreover, an additional attractive aspect of this catalyst is its high selectivity for branched alcohols, potential precursors to iso-olefins for use in etherification.« less

Method for fabricating solar cells having integrated collector grids

NASA Technical Reports Server (NTRS)

Evans, J. C., Jr. (Inventor)

1979-01-01

A heterojunction or Schottky barrier photovoltaic device comprising a conductive base metal layer compatible with and coating predominately the exposed surface of the p-type substrate of the device such that a back surface field region is formed at the interface between the device and the base metal layer, a transparent, conductive mixed metal oxide layer in integral contact with the n-type layer of the heterojunction or Schottky barrier device having a metal alloy grid network of the same metal elements of the oxide constituents of the mixed metal oxide layer embedded in the mixed metal oxide layer, an insulating layer which prevents electrical contact between the conductive metal base layer and the transparent, conductive metal oxide layer, and a metal contact means covering the insulating layer and in intimate contact with the metal grid network embedded in the transparent, conductive oxide layer for conducting electrons generated by the photovoltaic process from the device.

Photo Series for Quantifying Fuels and Assessing Fire Risk in Giant Sequoia Groves

Treesearch

David R. Weise; Aaron Gelobter; Sally M. Haase; Stephen S. Sackett

1997-01-01

Fuels and stand inventory data are presented for giant sequoia by using 18 different photos located in giant sequoia/mixed conifer stands in the Sierra Nevada of California. Total fuel loading ranges from 7 to 72 tons/acre. The stands have been subjected to a variety of disturbances including timber harvesting, wildfire, prescribed fire, and recreational use. Fire...

Physical and chemical characteristics of surface fuels in masticated mixed-conifer stands of the U.S. Rocky Mountains

Treesearch

Robert E. Keane; Pamela G. Sikkink; Theresa B. Jain

2018-01-01

Mastication is a wildland fuel treatment technique that is rapidly becoming the preferred method for many fire hazard reduction projects, especially in areas where reducing fuels with prescribed fire is particularly challenging. Mastication is the process of mechanically modifying the live and dead surface and canopy biomass by chopping and shredding vegetation to...

Coal liquefaction process

DOEpatents

Skinner, Ronald W.; Tao, John C.; Znaimer, Samuel

1985-01-01

This invention relates to an improved process for the production of liquid carbonaceous fuels and solvents from carbonaceous solid fuels, especially coal. The claimed improved process includes the hydrocracking of the light SRC mixed with a suitable hydrocracker solvent. The recycle of the resulting hydrocracked product, after separation and distillation, is used to produce a solvent for the hydrocracking of the light solvent refined coal.

Planar ceramic membrane assembly and oxidation reactor system

DOEpatents

Carolan, Michael Francis; Dyer, legal representative, Kathryn Beverly; Wilson, Merrill Anderson; Ohrn, Ted R.; Kneidel, Kurt E.; Peterson, David; Chen, Christopher M.; Rackers, Keith Gerard; Dyer, Paul Nigel

2009-04-07

Planar ceramic membrane assembly comprising a dense layer of mixed-conducting multi-component metal oxide material, wherein the dense layer has a first side and a second side, a porous layer of mixed-conducting multi-component metal oxide material in contact with the first side of the dense layer, and a ceramic channeled support layer in contact with the second side of the dense layer. The planar ceramic membrane assembly can be used in a ceramic wafer assembly comprising a planar ceramic channeled support layer having a first side and a second side; a first dense layer of mixed-conducting multi-component metal oxide material having an inner side and an outer side, wherein the inner side is in contact with the first side of the ceramic channeled support layer; a first outer support layer comprising porous mixed-conducting multi-component metal oxide material and having an inner side and an outer side, wherein the inner side is in contact with the outer side of the first dense layer; a second dense layer of mixed-conducting multi-component metal oxide material having an inner side and an outer side, wherein the inner side is in contact with the second side of the ceramic channeled layer; and a second outer support layer comprising porous mixed-conducting multi-component metal oxide material and having an inner side and an outer side, wherein the inner side is in contact with the outer side of the second dense layer.

Determination of gaseous fission product behavior near the cerium dioxide Σ 3 (111)/[1 1 ¯ 0] tilt grain boundary via first-principles study

DOE PAGES

Xi, Jianqi; Liu, Bin; Xu, Haixuan; ...

2017-12-02

We presenmore » t that grain boundaries (GBs) are the most abundant structural defects in nanostructured nuclear fuels and play an important role in determining fission product behavior, which further affects the performance of nuclear fuels. In this work, cerium dioxide (CeO 2) is used as a surrogate material for mixed oxide fuels to understand gaseous fission product behavior, specifically Xe. First-principles calculations are employed to comprehensively study the behavior of Xe and trap sites for Xe near the Σ 3 (111)/[1 1 ¯ 0] grain boundary in CeO 2, which will provide guidance on overall trends for Xe stability and diffusion at grain boundaries vs in the bulk. Significant segregation behavior of trap sites, regardless of charge states, is observed near the GB. This is mainly ascribed to the local atomic structure near the GB, which results in weaker bond strength and more negative segregation energies. For Xe, however, the segregation profile near the GB is different. Our calculations show that, as the size of trap sites increases, the segregation propensity of Xe is reduced. In addition, under hyper-stoichiometric conditions, the solubility of Xe trapped at the GB is significantly higher than that in the bulk, suggesting higher Xe concentration than that in the bulk. The results of this work demonstrate that the diffusion mechanism of Xe in CeO 2 is comparable to that in UO 2. The diffusion activation energies of Xe atoms in the Σ3GB are lower than that in the bulk CeO 2. Lastly, these results suggest that the diffusivity of Xe atoms is higher along the GB than that in the bulk, which enhances the aggregation of Xe atoms near the GB.« less

Determination of gaseous fission product behavior near the cerium dioxide Σ 3 (111)/[1 1 ¯ 0] tilt grain boundary via first-principles study

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

Xi, Jianqi; Liu, Bin; Xu, Haixuan

We presenmore » t that grain boundaries (GBs) are the most abundant structural defects in nanostructured nuclear fuels and play an important role in determining fission product behavior, which further affects the performance of nuclear fuels. In this work, cerium dioxide (CeO 2) is used as a surrogate material for mixed oxide fuels to understand gaseous fission product behavior, specifically Xe. First-principles calculations are employed to comprehensively study the behavior of Xe and trap sites for Xe near the Σ 3 (111)/[1 1 ¯ 0] grain boundary in CeO 2, which will provide guidance on overall trends for Xe stability and diffusion at grain boundaries vs in the bulk. Significant segregation behavior of trap sites, regardless of charge states, is observed near the GB. This is mainly ascribed to the local atomic structure near the GB, which results in weaker bond strength and more negative segregation energies. For Xe, however, the segregation profile near the GB is different. Our calculations show that, as the size of trap sites increases, the segregation propensity of Xe is reduced. In addition, under hyper-stoichiometric conditions, the solubility of Xe trapped at the GB is significantly higher than that in the bulk, suggesting higher Xe concentration than that in the bulk. The results of this work demonstrate that the diffusion mechanism of Xe in CeO 2 is comparable to that in UO 2. The diffusion activation energies of Xe atoms in the Σ3GB are lower than that in the bulk CeO 2. Lastly, these results suggest that the diffusivity of Xe atoms is higher along the GB than that in the bulk, which enhances the aggregation of Xe atoms near the GB.« less

Determination of gaseous fission product behavior near the cerium dioxide Σ 3 (111)/[11 bar0] tilt grain boundary via first-principles study

NASA Astrophysics Data System (ADS)

Xi, Jianqi; Liu, Bin; Xu, Haixuan; Zhang, Yanwen; Weber, William J.

2018-02-01

Grain boundaries (GBs) are the most abundant structural defects in nanostructured nuclear fuels and play an important role in determining fission product behavior, which further affects the performance of nuclear fuels. In this work, cerium dioxide (CeO2) is used as a surrogate material for mixed oxide fuels to understand gaseous fission product behavior, specifically Xe. First-principles calculations are employed to comprehensively study the behavior of Xe and trap sites for Xe near the Σ 3 (111)/[11 bar0] grain boundary in CeO2, which will provide guidance on overall trends for Xe stability and diffusion at grain boundaries vs in the bulk. Significant segregation behavior of trap sites, regardless of charge states, is observed near the GB. This is mainly ascribed to the local atomic structure near the GB, which results in weaker bond strength and more negative segregation energies. For Xe, however, the segregation profile near the GB is different. Our calculations show that, as the size of trap sites increases, the segregation propensity of Xe is reduced. In addition, under hyper-stoichiometric conditions, the solubility of Xe trapped at the GB is significantly higher than that in the bulk, suggesting higher Xe concentration than that in the bulk. The results of this work demonstrate that the diffusion mechanism of Xe in CeO2 is comparable to that in UO2. The diffusion activation energies of Xe atoms in the Σ 3 GB are lower than that in the bulk CeO2. These results suggest that the diffusivity of Xe atoms is higher along the GB than that in the bulk, which enhances the aggregation of Xe atoms near the GB.

Planar ceramic membrane assembly and oxidation reactor system

DOEpatents

Carolan, Michael Francis; Dyer, legal representative, Kathryn Beverly; Wilson, Merrill Anderson; Ohm, Ted R.; Kneidel, Kurt E.; Peterson, David; Chen, Christopher M.; Rackers, Keith Gerard; Dyer, deceased, Paul Nigel

2007-10-09

Planar ceramic membrane assembly comprising a dense layer of mixed-conducting multi-component metal oxide material, wherein the dense layer has a first side and a second side, a porous layer of mixed-conducting multi-component metal oxide material in contact with the first side of the dense layer, and a ceramic channeled support layer in contact with the second side of the dense layer. The planar ceramic membrane assembly can be used in a ceramic wafer assembly comprising a planar ceramic channeled support layer having a first side and a second side; a first dense layer of mixed-conducting multi-component metal oxide material having an inner side and an outer side, wherein the inner side is in contact with the first side of the ceramic channeled support layer; a first outer support layer comprising porous mixed-conducting multi-component metal oxide material and having an inner side and an outer side, wherein the inner side is in contact with the outer side of the first dense layer; a second dense layer of mixed-conducting multi-component metal oxide material having an inner side and an outer side, wherein the inner side is in contact with the second side of the ceramic channeled layer; and a second outer support layer comprising porous mixed-conducting multi-component metal oxide material and having an inner side and an outer side, wherein the inner side is in contact with the outer side of the second dense layer.

Impact of Alternative Jet Fuels on Engine Exhaust Composition During the 2015 ECLIF Ground-Based Measurements Campaign.

PubMed

Schripp, Tobias; Anderson, Bruce; Crosbie, Ewan C; Moore, Richard H; Herrmann, Friederike; Oßwald, Patrick; Wahl, Claus; Kapernaum, Manfred; Köhler, Markus; Le Clercq, Patrick; Rauch, Bastian; Eichler, Philipp; Mikoviny, Tomas; Wisthaler, Armin

2018-04-17

The application of fuels from renewable sources ("alternative fuels") in aviation is important for the reduction of anthropogenic carbon dioxide emissions, but may also attribute to reduced release of particles from jet engines. The present experiment describes ground-based measurements in the framework of the ECLIF (Emission and Climate Impact of Alternative Fuels) campaign using an Airbus A320 (V2527-A5 engines) burning six fuels of chemically different composition. Two reference Jet A-1 with slightly different chemical parameters were applied and further used in combination with a Fischer-Tropsch synthetic paraffinic kerosene (FT-SPK) to prepare three semi synthetic jet fuels (SSJF) of different aromatic content. In addition, one commercially available fully synthetic jet fuel (FSJF) featured the lowest aromatic content of the fuel selection. Neither the release of nitrogen oxide or carbon monoxide was significantly affected by the different fuel composition. The measured particle emission indices showed a reduction up to 50% (number) and 70% (mass) for two alternative jet fuels (FSJF, SSJF2) at low power settings in comparison to the reference fuels. The reduction is less pronounced at higher operating conditions but the release of particle number and particle mass is still significantly lower for the alternative fuels than for both reference fuels. The observed correlation between emitted particle mass and fuel aromatics is not strict. Here, the H/C ratio is a better indicator for soot emission.

Syngas Conversion to Hydrocarbon Fuels through Mixed Alcohol Intermediates

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

Dagle, Robert A.; Lebarbier, Vanessa M.; Albrecht, Karl O.

2013-05-13

Synthesis gas (syngas) can be used to synthesize a variety of fuels and chemicals. Domestic transportation and military operational interests have driven continued focus on domestic syngas-based fuels production. Liquid transportation fuels may be made from syngas via four basic processes: 1) higher alcohols, 2) Fischer-Tropsch (FT), 3) methanol-to-gasoline (MTG), and 4) methanol-to-olefins (MTO) and olefins-to-gasoline/distillate (MOGD). Compared to FT and higher alcohols, MTG and MTO-MOGD have received less attention in recent years. Due to the high capital cost of these synthetic fuel plants, the production cost of the finished fuel cannot compete with petroleum-derived fuel. Pacific Northwest National Laboratorymore » has recently evaluated one way to potentially reduce capital cost and overall production cost for MTG by combining the methanol and MTG syntheses in a single reactor. The concept consists of mixing the conventional MTG catalyst (i.e. HZSM-5) with an alcohol synthesis catalyst. It was found that a methanol synthesis catalyst, stable at high temperature (i.e. Pd/ZnO/Al2O3) [1], when mixed with ZSM-5, was active for syngas conversion. Relatively high syngas conversion can be achieved as the equilibrium-driven conversion limitations for methanol and dimethyl ether are removed as they are intermediates to the final hydrocarbon product. However, selectivity control was difficult to achieve as formation of undesirable durene and light hydrocarbons was problematic [2]. The objective of the present study was thus to evaluate other potential composite catalyst systems and optimize the reactions conditions for the conversion of syngas to hydrocarbon fuels, through the use of mixed alcohol intermediates. Mixed alcohols are of interest as they have recently been reported to produce higher yields of gasoline compared to methanol [3]. 1. Lebarbier, V.M., Dagle, R.A., Kovarik, L., Lizarazo-Adarme, J.A., King, D.L., Palo, D.R., Catalyst Science & Technology, 2012, 2, 2116-2127. 2. Zhu, Y., Jones, S.B., Biddy, M.J., Dagle, R.A., Palo, D.P., Bioresource Technology, 2012, 117, 341-351. 3. Gujar, A.C., Guda, V.K., Nolan, M., Yan W., Toghiani, H., White, M.G., Applied Catalysis A: General, 2009, 363, 115-121.« less

Woody Biomass Conversion to JP-8 Fuels

DTIC Science & Technology

2014-02-15

Fermentation of Conditioned Extract or Brownstock to Lipids SUB 5 Mixed Culture Fermentation of Mixed-sugars in Raw extract to Mixed Acids SUB 6 TDO...avoiding the need for producing clean simple sugars tluough controlled hydrolysis, and detoxification in a particular case of fermentation ...according to high temperature simulated distillation (ASTM 7169) shown in Figure 5. Figure 5: Boiling point distribution data for raw TDO

Experimental and thermodynamic study of Co-Fe and Mn-Fe based mixed metal oxides for thermochemical energy storage application

NASA Astrophysics Data System (ADS)

André, Laurie; Abanades, Stéphane; Cassayre, Laurent

2017-06-01

Metal oxides are potential materials for thermochemical heat storage, and among them, cobalt oxide and manganese oxide are attracting attention. Furthermore, studies on mixed oxides are ongoing, as the synthesis of mixed oxides could be a way to answer the drawbacks of pure metal oxides, such as slow reaction kinetics, loss-in-capacity over cycles or sintering, selected for thermochemical heat storage application. The addition of iron oxide is under investigation and the obtained results are presented. This work proposes a comparison of thermodynamic modelling with experimental data in order to identify the impact of iron oxide addition to cobalt oxide and manganese oxide. Fe addition decreased the redox activity and energy storage capacity of Co3O4, whereas the cycling stability of Mn2O3 was significantly improved with added Fe amounts above 20 mol% while the energy storage capacity was unchanged. The thermodynamic modelling method to predict the behavior of the Mn-Fe-O and Co-Fe-O systems was validated, and the possibility to identify other mixed oxides becomes conceivable, by enabling the selection of transition metals additives for metal oxides destined for thermochemical energy storage applications.

A Step Towards CO2-Neutral Aviation

NASA Technical Reports Server (NTRS)

Brankovic, Andreja; Ryder, Robert C.; Hendricks, Robert C.; Huber, Marcia L.

2007-01-01

An approximation method for evaluation of the caloric equations used in combustion chemistry simulations is described. The method is applied to generate the equations of specific heat, static enthalpy, and Gibb's free energy for fuel mixtures of interest to gas turbine engine manufacturers. Liquid-phase fuel properties are also derived. The fuels include JP-8, synthetic fuel, and two fuel blends consisting of a mixture of JP-8 and synthetic fuel. The complete set of fuel property equations for both phases are implemented into a computational fluid dynamics (CFD) flow solver database, and multi-phase, reacting flow simulations of a well-tested liquid-fueled combustor are performed. The simulations are a first step in understanding combustion system performance and operational issues when using alternate fuels, at practical engine operating conditions.

On the use of thermal NF3 as the fluorination and oxidation agent in treatment of used nuclear fuels

NASA Astrophysics Data System (ADS)

Scheele, Randall; McNamara, Bruce; Casella, Andrew M.; Kozelisky, Anne

2012-05-01

This paper presents results of our investigation on the use of nitrogen trifluoride as a fluorination or fluorination/oxidation agent for separating valuable constituents from used nuclear fuels by exploiting the different volatilities of the constituent fission product and actinide fluorides. Our thermodynamic calculations show that nitrogen trifluoride has the potential to produce volatile fission product and actinide fluorides from oxides and metals that can form volatile fluorides. Simultaneous thermogravimetric and differential thermal analyses show that the oxides of lanthanum, cerium, rhodium, and plutonium are fluorinated but do not form volatile fluorides when treated with nitrogen trifluoride at temperatures up to 550 °C. However, depending on temperature, volatile fluorides or oxyfluorides can form from nitrogen trifluoride treatment of the oxides of niobium, molybdenum, ruthenium, tellurium, uranium, and neptunium. Thermoanalytical studies demonstrate near-quantitative separation of uranium from plutonium in a mixed 80% uranium and 20% plutonium oxide. Our studies of neat oxides and metals suggest that the reactivity of nitrogen trifluoride may be adjusted by temperature to selectively separate the major volatile fuel constituent uranium from minor volatile constituents, such as Mo, Tc, Ru and from the non-volatile fuel constituents based on differences in their reaction temperatures and kinetic behaviors. This reactivity is novel with respect to that reported for other fluorinating reagents F2, BrF5, ClF3.

Studies on supercritical hydrothermal syntheses of uranium and lanthanide oxide particles and their reaction mechanisms

NASA Astrophysics Data System (ADS)

Hwang, DongKi; Tsukahara, Takehiko; Tanaka, Kosuke; Osaka, Masahiko; Ikeda, Yasuhisa

2015-11-01

In order to develop preparation method of raw metal oxide particles for low decontaminated MOX fuels by supercritical hydrothermal (SH) treatments, we have investigated behavior of aqueous solutions dissolving U(VI), Ln(III) (Ln: lanthanide = Ce, Pr, Nd, Sm, Tb), Cs(I), and Sr(II) nitrate or chloride compounds under SH conditions (temperature = 400-500 °C, pressure = 30-40 MPa). As a result, it was found that Ln(NO3)3 (Ln = Ce, Pr, Tb) compounds produce LnO2, that Ln(NO3)3 (Ln = Nd, Sm) compounds are hardly converted to their oxides, and that LnCl3 (Ln = Ce, Pr, Nd, Sm, Tb), CsNO3, and Sr(NO3)2 do not form their oxide compounds. Furthermore, HNO2 species were detected in the liquid phase obtained after treating HNO3 aqueous solutions containing Ln(NO3)3 (Ln = Ce, Pr, Tb) under SH conditions, and also NO2 and NO compounds were found to be produced by decomposition of HNO3. From these results, it was proposed that the Ln oxide (LnO2) particles are directly formed with oxidation of Ln(III) to Ln(IV) by HNO3 and HNO2 species in the SH systems. Moreover, the uranyl ions were found to form U3O8 and UO3 depending on the concentration of HNO3. From these results, it is expected that the raw metal oxide particles for low decontaminated MOX fuels are efficiently prepared by the SH method.

Tuning Ferritin’s band gap through mixed metal oxide nanoparticle formation

NASA Astrophysics Data System (ADS)

Olsen, Cameron R.; Embley, Jacob S.; Hansen, Kameron R.; Henrichsen, Andrew M.; Peterson, J. Ryan; Colton, John S.; Watt, Richard K.

2017-05-01

This study uses the formation of a mixed metal oxide inside ferritin to tune the band gap energy of the ferritin mineral. The mixed metal oxide is composed of both Co and Mn, and is formed by reacting aqueous Co2+ with {{{{MnO}}}4}- in the presence of apoferritin. Altering the ratio between the two reactants allowed for controlled tuning of the band gap energies. All minerals formed were indirect band gap materials, with indirect band gap energies ranging from 0.52 to 1.30 eV. The direct transitions were also measured, with energy values ranging from 2.71 to 3.11 eV. Tuning the band gap energies of these samples changes the wavelengths absorbed by each mineral, increasing ferritin’s potential in solar-energy harvesting. Additionally, the success of using {{{{MnO}}}4}- in ferritin mineral formation opens the possibility for new mixed metal oxide cores inside ferritin.

Overview of past and current activities on fuels for fast reactors at the Institute for Transuranium Elements

NASA Astrophysics Data System (ADS)

Fernandez, A.; McGinley, J.; Somers, J.; Walter, M.

2009-07-01

Nuclear energy has the potential to provide a secure and sustainable electricity supply at a competitive price and to make a significant contribution to the reduction of greenhouse gas emissions. The renewal of interest in fast neutron spectra reactors to meet more ambitious sustainable development criteria (i.e., resource maximisation and waste minimisation), opens a favourable framework for R&D activities in this area. The Institute for Transuranium Elements has extensive experience in the fabrication, characterization and irradiation testing (Phénix, Dounreay, Rapsodie) of fast reactor fuels, in oxide, nitride and carbide forms. An overview of these past and current activities on fast reactor fuels is presented.

High Capacity Garnet-Based All-Solid-State Lithium Batteries: Fabrication and 3D-Microstructure Resolved Modeling.

PubMed

Finsterbusch, Martin; Danner, Timo; Tsai, Chih-Long; Uhlenbruck, Sven; Latz, Arnulf; Guillon, Olivier

2018-06-21

The development of high-capacity, high-performance all-solid-state batteries requires the specific design and optimization of its components, especially on the positive electrode side. For the first time, we were able to produce a completely inorganic mixed positive electrode consisting only of LiCoO 2 and Ta-substituted Li 7 La 3 Zr 2 O 12 (LLZ:Ta) without the use of additional sintering aids or conducting additives, which has a high theoretical capacity density of 1 mAh/cm 2 . A true all-solid-state cell composed of a Li metal negative electrode, a LLZ:Ta garnet electrolyte, and a 25 μm thick LLZ:Ta + LiCoO 2 mixed positive electrode was manufactured and characterized. The cell shows 81% utilization of theoretical capacity upon discharging at elevated temperatures and rather high discharge rates of 0.1 mA (0.1 C). However, even though the room temperature performance is also among the highest reported so far for similar cells, it still falls far short of the theoretical values. Therefore, a 3D reconstruction of the manufactured mixed positive electrode was used for the first time as input for microstructure-resolved continuum simulations. The simulations are able to reproduce the electrochemical behavior at elevated temperature favorably, however fail completely to predict the performance loss at room temperature. Extensive parameter studies were performed to identify the limiting processes, and as a result, interface phenomena occurring at the cathode active material/solid-electrolyte interface were found to be the most probable cause for the low performance at room temperature. Furthermore, the simulations are used for a sound estimation of the optimization potential that can be realized with this type of cell, which provides important guidelines for future oxide based all-solid-state battery research and fabrication.

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

Ronchi, C.; Sari, C.

Lenticular pore migration rates in oxide nuclear fuels were measured in out-of-pile heating experiments. It is deduced that those pores which are in part responsible for the formation of columnar grains, are only produced in the absence of relevant amourts of filling gas. Specimens containing important concentrations of He, produced by Pu alpha decay, show columnar grain restructuring by grain boundary migration. Some consequences are drawn concerning the possible role played by lenticular pores in the mechanisms of fission gas release from nuclear fuels. (5 figures) (auth)

Presidential Green Chemistry Challenge: 2003 Greener Synthetic Pathways Award

EPA Pesticide Factsheets

Presidential Green Chemistry Challenge 2003 winner, Sud-Chemie, developed a synthesis for solid oxide catalysts used to make hydrogen and clean fuels. The process creates little wastewater, no nitrates, and no or little NOx.

A review of high temperature co-electrolysis of H2O and CO2 to produce sustainable fuels using solid oxide electrolysis cells (SOECs): advanced materials and technology.

PubMed

Zheng, Yun; Wang, Jianchen; Yu, Bo; Zhang, Wenqiang; Chen, Jing; Qiao, Jinli; Zhang, Jiujun

2017-03-06

High-temperature solid oxide electrolysis cells (SOECs) are advanced electrochemical energy storage and conversion devices with high conversion/energy efficiencies. They offer attractive high-temperature co-electrolysis routes that reduce extra CO 2 emissions, enable large-scale energy storage/conversion and facilitate the integration of renewable energies into the electric grid. Exciting new research has focused on CO 2 electrochemical activation/conversion through a co-electrolysis process based on the assumption that difficult C[double bond, length as m-dash]O double bonds can be activated effectively through this electrochemical method. Based on existing investigations, this paper puts forth a comprehensive overview of recent and past developments in co-electrolysis with SOECs for CO 2 conversion and utilization. Here, we discuss in detail the approaches of CO 2 conversion, the developmental history, the basic principles, the economic feasibility of CO 2 /H 2 O co-electrolysis, and the diverse range of fuel electrodes as well as oxygen electrode materials. SOEC performance measurements, characterization and simulations are classified and presented in this paper. SOEC cell and stack designs, fabrications and scale-ups are also summarized and described. In particular, insights into CO 2 electrochemical conversions, solid oxide cell material behaviors and degradation mechanisms are highlighted to obtain a better understanding of the high temperature electrolysis process in SOECs. Proposed research directions are also outlined to provide guidelines for future research.

40 CFR 721.10006 - Mixed metal oxide (generic).

Code of Federal Regulations, 2010 CFR

2010-07-01

... 40 Protection of Environment 30 2010-07-01 2010-07-01 false Mixed metal oxide (generic). 721.10006 Section 721.10006 Protection of Environment ENVIRONMENTAL PROTECTION AGENCY (CONTINUED) TOXIC SUBSTANCES...) of this section. (2) The significant new uses are: (i) Industrial, commercial, and consumer...

Army Experience and Requirements for Stability and Cleanliness of Diesel Fuels.

DTIC Science & Technology

1980-07-01

following: Iron Oxide 30 g/1000 gal Quartz Dust 4 g/1 0 0 0 gal Arizona Road Dust = 8 g/1000 gal Cotton Liners 0.1 g/1 0 0 0 gal Naphthenic Acid = 0.03...are then removed , dried, and weighed on a 9 torsion balance. Sediment content is determined by comparing the increase in weight of the test membrane...and thermal instability on the particular diesel fuels would Corrosion in Vehicle create (I) acidic impurities leading to corrosion and water Fuel Tanks

Inert matrix fuel neutronic, thermal-hydraulic, and transient behavior in a light water reactor

NASA Astrophysics Data System (ADS)

Carmack, W. J.; Todosow, M.; Meyer, M. K.; Pasamehmetoglu, K. O.

2006-06-01

Currently, commercial power reactors in the United States operate on a once-through or open cycle, with the spent nuclear fuel eventually destined for long-term storage in a geologic repository. Since the fissile and transuranic (TRU) elements in the spent nuclear fuel present a proliferation risk, limit the repository capacity, and are the major contributors to the long-term toxicity and dose from the repository, methods and systems are needed to reduce the amount of TRU that will eventually require long-term storage. An option to achieve a reduction in the amount, and modify the isotopic composition of TRU requiring geological disposal is 'burning' the TRU in commercial light water reactors (LWRs) and/or fast reactors. Fuel forms under consideration for TRU destruction in light water reactors (LWRs) include mixed-oxide (MOX), advanced mixed-oxide, and inert matrix fuels. Fertile-free inert matrix fuel (IMF) has been proposed for use in many forms and studied by several researchers. IMF offers several advantages relative to MOX, principally it provides a means for reducing the TRU in the fuel cycle by burning the fissile isotopes and transmuting the minor actinides while producing no new TRU elements from fertile isotopes. This paper will present and discuss the results of a four-bundle, neutronic, thermal-hydraulic, and transient analyses of proposed inert matrix materials in comparison with the results of similar analyses for reference UOX fuel bundles. The results of this work are to be used for screening purposes to identify the general feasibility of utilizing specific inert matrix fuel compositions in existing and future light water reactors. Compositions identified as feasible using the results of these analyses still require further detailed neutronic, thermal-hydraulic, and transient analysis study coupled with rigorous experimental testing and qualification.

40 CFR 721.5315 - Nickel, cobalt mixed metal oxide (generic).

Code of Federal Regulations, 2010 CFR

2010-07-01

...) TOXIC SUBSTANCES CONTROL ACT SIGNIFICANT NEW USES OF CHEMICAL SUBSTANCES Significant New Uses for Specific Chemical Substances § 721.5315 Nickel, cobalt mixed metal oxide (generic). (a) Chemical substance and significant new uses subject to reporting. (1) The chemical substance identified generically as...

Solid Oxide Fuel Cells Operating on Alternative and Renewable Fuels

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

Wang, Xiaoxing; Quan, Wenying; Xiao, Jing

2014-09-30

This DOE project at the Pennsylvania State University (Penn State) initially involved Siemens Energy, Inc. to (1) develop new fuel processing approaches for using selected alternative and renewable fuels – anaerobic digester gas (ADG) and commercial diesel fuel (with 15 ppm sulfur) – in solid oxide fuel cell (SOFC) power generation systems; and (2) conduct integrated fuel processor – SOFC system tests to evaluate the performance of the fuel processors and overall systems. Siemens Energy Inc. was to provide SOFC system to Penn State for testing. The Siemens work was carried out at Siemens Energy Inc. in Pittsburgh, PA. Themore » unexpected restructuring in Siemens organization, however, led to the elimination of the Siemens Stationary Fuel Cell Division within the company. Unfortunately, this led to the Siemens subcontract with Penn State ending on September 23rd, 2010. SOFC system was never delivered to Penn State. With the assistance of NETL project manager, the Penn State team has since developed a collaborative research with Delphi as the new subcontractor and this work involved the testing of a stack of planar solid oxide fuel cells from Delphi.« less

Method of CO and/or CO.sub.2 hydrogenation to higher hydrocarbons using doped mixed-metal oxides

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

Shekhawat, Dushyant; Berry, David A.; Haynes, Daniel J.

2017-03-21

A method of hydrogenation utilizing a reactant gas mixture comprising a carbon oxide and a hydrogen agent, and a hydrogenation catalyst comprising a mixed-metal oxide containing metal sites supported and/or incorporated into the lattice. The mixed-metal oxide comprises a pyrochlore, a brownmillerite, or mixtures thereof doped at the A-site or the B-site. The metal site may comprise a deposited metal, where the deposited metal is a transition metal, an alkali metal, an alkaline earth metal, or mixtures thereof. Contact between the carbon oxide, hydrogen agent, and hydrogenation catalyst under appropriate conditions of temperature, pressure and gas flow rate generate amore » hydrogenation reaction and produce a hydrogenated product made up of carbon from the carbon oxide and some portion of the hydrogen agent. The carbon oxide may be CO, CO.sub.2, or mixtures thereof and the hydrogen agent may be H.sub.2. In a particular embodiment, the hydrogenated product comprises olefins, paraffins, or mixtures thereof.« less

Further evaluations of the toxicity of irradiated advanced heavy water reactor fuels.

PubMed

Edwards, Geoffrey W R; Priest, Nicholas D

2014-11-01

The neutron economy and online refueling capability of heavy water moderated reactors enable them to use many different fuel types, such as low enriched uranium, plutonium mixed with uranium, or plutonium and/or U mixed with thorium, in addition to their traditional natural uranium fuel. However, the toxicity and radiological protection methods for fuels other than natural uranium are not well established. A previous paper by the current authors compared the composition and toxicity of irradiated natural uranium to that of three potential advanced heavy water fuels not containing plutonium, and this work uses the same method to compare irradiated natural uranium to three other fuels that do contain plutonium in their initial composition. All three of the new fuels are assumed to incorporate plutonium isotopes characteristic of those that would be recovered from light water reactor fuel via reprocessing. The first fuel investigated is a homogeneous thorium-plutonium fuel designed for a once-through fuel cycle without reprocessing. The second fuel is a heterogeneous thorium-plutonium-U bundle, with graded enrichments of U in different parts of a single fuel assembly. This fuel is assumed to be part of a recycling scenario in which U from previously irradiated fuel is recovered. The third fuel is one in which plutonium and Am are mixed with natural uranium. Each of these fuels, because of the presence of plutonium in the initial composition, is determined to be considerably more radiotoxic than is standard natural uranium. Canadian nuclear safety regulations require that techniques be available for the measurement of 1 mSv of committed effective dose after exposure to irradiated fuel. For natural uranium fuel, the isotope Pu is a significant contributor to the committed effective dose after exposure, and thermal ionization mass spectrometry is sensitive enough that the amount of Pu excreted in urine is sufficient to estimate internal doses, from all isotopes, as low as 1 mSv. In addition, if this method is extended so that Pu is also measured, then the combined amount of Pu and Pu is sufficiently high in the thorium-plutonium fuel that a committed effective dose of 1 mSv would be measurable. However, the fraction of Pu and Pu in the other two fuels is sufficiently low that a 1 mSv dose would remain below the detection limit using this technique. Thus new methods, such as fecal measurements of Pu (or other alpha emitters), will be required to measure exposure to these new fuels.

Role of burning season on initial understory vegetation response to prescribed fire in a mixed conifer forest

Treesearch

Eric E. Knapp; Dylan W. Schwilk; Jeffrey M. Kane; Jon E. Keeley

2007-01-01

Although the majority of fires in the western United States historically occurred during the late summer or early fall when fuels were dry and plants were dormant or nearly so, early-season prescribed burns are often ignited when fuels are still moist and plants are actively growing. The purpose of this study was to determine if burn season influences postfire...

The decomposition of mixed oxide Ag2Cu2O3: Structural features and the catalytic properties in CO and C2H4 oxidation

NASA Astrophysics Data System (ADS)

Svintsitskiy, Dmitry A.; Kardash, Tatyana Yu.; Slavinskaya, Elena M.; Stonkus, Olga A.; Koscheev, Sergei V.; Boronin, Andrei I.

2018-01-01

The mixed silver-copper oxide Ag2Cu2O3 with a paramelaconite crystal structure is a promising material for catalytic applications. The as-prepared sample of Ag2Cu2O3 consisted of brick-like particles extended along the [001] direction. A combination of physicochemical techniques such as TEM, XPS and XRD was applied to investigate the structural features of this mixed silver-copper oxide. The thermal stability of Ag2Cu2O3 was investigated using in situ XRD under different reaction conditions, including a catalytic CO + O2 mixture. The first step of Ag2Cu2O3 decomposition was accompanied by the appearance of ensembles consisting of silver nanoparticles with sizes of 5-15 nm. Silver nanoparticles were strongly oriented to each other and to the surface of the initial Ag2Cu2O3 bricks. Based on the XRD data, it was shown that the release of silver occurred along the a and b axes of the paramelaconite structure. Partial decomposition of Ag2Cu2O3 accompanied by the formation of silver nanoparticles was observed during prolonged air storage under ambient conditions. The high reactivity is discussed as a reason for spontaneous decomposition during Ag2Cu2O3 storage. The full decomposition of the mixed oxide into metallic silver and copper (II) oxide took place at temperatures higher than 300 °C regardless of the nature of the reaction medium (helium, air, CO + O2). Catalytic properties of partially and fully decomposed samples of mixed silver-copper oxide were measured in low-temperature CO oxidation and C2H4 epoxidation reactions.

Different interest group views of fuels treatments: survey results from fire and fire surrogate treatments in a Sierran mixed conifer forest, California, USA

Treesearch

Sarah McCaffrey; Jason J. Moghaddas; Scott L. Stephens

2008-01-01

The present paper discusses results from a survey about the acceptance of and preferences for fuels treatments of participants following a field tour of the University of California Blodgett Forest Fire and Fire Surrogate Study Site. Although original expectations were that tours would be composed of general members of the public, individual tour groups ultimately were...

Nuclear fuels - Present and future

NASA Astrophysics Data System (ADS)

Olander, D.

2009-06-01

The important developments in nuclear fuels and their problems are reviewed and compared with the status of present light-water reactor fuels. The limitations of LWR fuels are reviewed with respect to important recent concerns, namely provision of outlet coolant temperatures high enough for use in H 2 production, destruction of plutonium to eliminate proliferation concerns, and burning of the minor actinides to reduce the waste repository heat load and long-term radiation hazard. In addition to current oxide-based fuel rod designs, the hydride fuel with liquid-metal thermal bonding of the fuel-cladding gap is covered. Finally, two of the most promising Generation IV reactor concepts, the very high temperature reactor and the sodium fast reactor, and the accompanying reprocessing technologies, aqueous-based UREX+1a and pyrometallurgical, are summarized. In all of the topics covered, the thermodynamics involved in the fuel's behavior under irradiation and in the reprocessing schemes are emphasized.

Using Coupled Mesoscale Experiments and Simulations to Investigate High Burn-Up Oxide Fuel Thermal Conductivity

NASA Astrophysics Data System (ADS)

Teague, Melissa C.; Fromm, Bradley S.; Tonks, Michael R.; Field, David P.

2014-12-01

Nuclear energy is a mature technology with a small carbon footprint. However, work is needed to make current reactor technology more accident tolerant and to allow reactor fuel to be burned in a reactor for longer periods of time. Optimizing the reactor fuel performance is essentially a materials science problem. The current understanding of fuel microstructure have been limited by the difficulty in studying the structure and chemistry of irradiated fuel samples at the mesoscale. Here, we take advantage of recent advances in experimental capabilities to characterize the microstructure in 3D of irradiated mixed oxide (MOX) fuel taken from two radial positions in the fuel pellet. We also reconstruct these microstructures using Idaho National Laboratory's MARMOT code and calculate the impact of microstructure heterogeneities on the effective thermal conductivity using mesoscale heat conduction simulations. The thermal conductivities of both samples are higher than the bulk MOX thermal conductivity because of the formation of metallic precipitates and because we do not currently consider phonon scattering due to defects smaller than the experimental resolution. We also used the results to investigate the accuracy of simple thermal conductivity approximations and equations to convert 2D thermal conductivities to 3D. It was found that these approximations struggle to predict the complex thermal transport interactions between metal precipitates and voids.

Highly durable, coking and sulfur tolerant, fuel-flexible protonic ceramic fuel cells.

PubMed

Duan, Chuancheng; Kee, Robert J; Zhu, Huayang; Karakaya, Canan; Chen, Yachao; Ricote, Sandrine; Jarry, Angelique; Crumlin, Ethan J; Hook, David; Braun, Robert; Sullivan, Neal P; O'Hayre, Ryan

2018-05-01

Protonic ceramic fuel cells, like their higher-temperature solid-oxide fuel cell counterparts, can directly use both hydrogen and hydrocarbon fuels to produce electricity at potentially more than 50 per cent efficiency 1,2 . Most previous direct-hydrocarbon fuel cell research has focused on solid-oxide fuel cells based on oxygen-ion-conducting electrolytes, but carbon deposition (coking) and sulfur poisoning typically occur when such fuel cells are directly operated on hydrocarbon- and/or sulfur-containing fuels, resulting in severe performance degradation over time 3-6 . Despite studies suggesting good performance and anti-coking resistance in hydrocarbon-fuelled protonic ceramic fuel cells 2,7,8 , there have been no systematic studies of long-term durability. Here we present results from long-term testing of protonic ceramic fuel cells using a total of 11 different fuels (hydrogen, methane, domestic natural gas (with and without hydrogen sulfide), propane, n-butane, i-butane, iso-octane, methanol, ethanol and ammonia) at temperatures between 500 and 600 degrees Celsius. Several cells have been tested for over 6,000 hours, and we demonstrate excellent performance and exceptional durability (less than 1.5 per cent degradation per 1,000 hours in most cases) across all fuels without any modifications in the cell composition or architecture. Large fluctuations in temperature are tolerated, and coking is not observed even after thousands of hours of continuous operation. Finally, sulfur, a notorious poison for both low-temperature and high-temperature fuel cells, does not seem to affect the performance of protonic ceramic fuel cells when supplied at levels consistent with commercial fuels. The fuel flexibility and long-term durability demonstrated by the protonic ceramic fuel cell devices highlight the promise of this technology and its potential for commercial application.

Novel Montmorillonite/TiO₂/MnAl-Mixed Oxide Composites Prepared from Inverse Microemulsions as Combustion Catalysts.

PubMed

Napruszewska, Bogna D; Michalik-Zym, Alicja; Rogowska, Melania; Bielańska, Elżbieta; Rojek, Wojciech; Gaweł, Adam; Wójcik-Bania, Monika; Bahranowski, Krzysztof; Serwicka, Ewa M

2017-11-19

A novel design of combustion catalysts is proposed, in which clay/TiO₂/MnAl-mixed oxide composites are formed by intermixing exfoliated organo-montmorillonite with oxide precursors (hydrotalcite-like in the case of Mn-Al oxide) obtained by an inverse microemulsion method. In order to assess the catalysts' thermal stability, two calcination temperatures were employed: 450 and 600 °C. The composites were characterized with XRF (X-ray fluorescence), XRD (X-ray diffraction), HR SEM (high resolution scanning electron microscopy, N₂ adsorption/desorption at -196 °C, and H₂ TPR (temperature programmed reduction). Profound differences in structural, textural and redox properties of the materials were observed, depending on the presence of the TiO₂ component, the type of neutralization agent used in the titania nanoparticles preparation (NaOH or NH₃ (aq)), and the temperature of calcination. Catalytic tests of toluene combustion revealed that the clay/TiO₂/MnAl-mixed oxide composites prepared with the use of ammonia showed excellent activity, the composites obtained from MnAl hydrotalcite nanoparticles trapped between the organoclay layers were less active, but displayed spectacular thermal stability, while the clay/TiO₂/MnAl-mixed oxide materials obtained with the aid of NaOH were least active. The observed patterns of catalytic activity bear a direct relation to the materials' composition and their structural, textural, and redox properties.

Optical and electrical studies of cerium mixed oxides

NASA Astrophysics Data System (ADS)

Sherly, T. R.; Raveendran, R.

2014-10-01

The fast development in nanotechnology makes enthusiastic interest in developing nanomaterials having tailor made properties. Cerium mixed oxide materials have received great attention due to their UV absorption property, high reactivity, stability at high temperature, good electrical property etc and these materials find wide applications in solid oxide fuel cells, solar control films, cosmetics, display units, gas sensors etc. In this study cerium mixed oxide compounds were prepared by co-precipitation method. All the samples were doped with Zn (II) and Fe (II). Preliminary characterizations such as XRD, SEM / EDS, TEM were done. UV - Vis, Diffuse reflectance, PL, FT-IR, Raman and ac conductivity studies of the samples were performed.

Symmetrical solid oxide fuel cells with impregnated SrFe0.75Mo0.25O3-δ electrodes

NASA Astrophysics Data System (ADS)

Meng, Xie; Liu, Xuejiao; Han, Da; Wu, Hao; Li, Junliang; Zhan, Zhongliang

2014-04-01

Here we report nominally symmetrical solid oxide fuel cells that feature thin La0.9Sr0.1Ga0.8Mg0.2O3-δ (LSGM) electrolytes and impregnated SrFe0.75Mo0.25O3-δ (SFMO)-LSGM composite electrodes. Operation on hydrogen fuels and air oxidants can produce maximum power densities of 0.39 W cm-2 at 650 °C and 0.97 W cm-2 at 800 °C. Impedance measurements indicate that the anode and the cathode polarizations are 0.22 and 0.04 Ω cm2 at 800 °C, respectively. Hydrogen partial pressure and temperature dependence of impedance data in humidified hydrogen shows that hydrogen oxidation kinetics is largely determined by hydrogen adsorption on the SFMO catalysts at high temperatures and charge transfer reactions along the SFMO|LSGM interfaces at low temperatures. Carbon tolerance of the present fuel cells is also examined in iso-octane fuels balanced by nitrogen at 800 °C that yields stable maximum power densities of 0.39 W cm-2.

Solar-to-Chemical Energy Conversion with Photoelectrochemical Tandem Cells.

PubMed

Sivula, Kevin

2013-01-01

Efficiently and inexpensively converting solar energy into chemical fuels is an important goal towards a sustainable energy economy. An integrated tandem cell approach could reasonably convert over 20% of the sun's energy directly into chemical fuels like H2 via water splitting. Many different systems have been investigated using various combinations of photovoltaic cells and photoelectrodes, but in order to be economically competitive with the production of H2 from fossil fuels, a practical water splitting tandem cell must optimize cost, longevity and performance. In this short review, the practical aspects of solar fuel production are considered from the perspective of a semiconductor-based tandem cell and the latest advances with a very promising technology - metal oxide photoelectrochemical tandem cells - are presented.

Silvicultural tools applicable in forests burned by a mixed severity fire regime

Treesearch

Russell T. Graham; Theresa B. Jain

2005-01-01

The silvicultural tools applicable for use in forests burned by mixed severity fire regimes are as highly variable as the structures and compositions the fires have historically created. Singly or in combination chunking, chipping, slashing, and piling can alter the character of surface fuels (e.g., small trees, shrubs, branches, and stems). These treatments can be...

Recent Progress in Using Advanced Characterization and Modeling Approaches to Study Radiation Effects in Oxide Ceramics

DOE PAGES

Bai, Xian-Ming

2014-10-23

I serve as a Guest Editor for the Nuclear Materials Committee of the TMS Structural Materials Division, and coordinated the topic ‘‘Radiation Effects in Oxide Ceramics and Novel LWR Fuels" for JOM in the December 2014 issue. I selected five articles related this topic. These articles talk about some recent progress of using advanced experimental and modeling tools to study radiation effects in oxide ceramics at atomistic scale and mesoscale. In this guest editor commentary article, I summarize the novel aspects of these papers and also provide some suggestions for future research directions.

Synthesis of Mixed Cu/Ce Oxide Nanoparticles by the Oil-in-Water Microemulsion Reaction Method.

PubMed

Pemartin-Biernath, Kelly; Vela-González, Andrea V; Moreno-Trejo, Maira B; Leyva-Porras, César; Castañeda-Reyna, Iván E; Juárez-Ramírez, Isaías; Solans, Conxita; Sánchez-Domínguez, Margarita

2016-06-16

Cerium oxide and mixed Cu/Ce oxide nanoparticles were prepared by the oil-in-water (O/W) microemulsion reaction method in mild conditions. The Cu/Ce molar ratio was varied between 0/100 and 50/50. According to X-ray diffraction (XRD), below 30/70 Cu/Ce molar ratio, the materials presented a single phase consistent with cubic fluorite CeO₂. However, above Cu/Ce molar ratio 30/70, an excess monoclinic CuO phase in coexistence with the predominant Cu/Ce mixed oxide was detected by XRD and High-Resolution Transmission Electron Microscopy (HRTEM). Raman spectroscopy showed that oxygen vacancies increased significantly as the Cu content was increased. Band gap ( E g ) was investigated as a function of the Cu/Ce molar ratio, resulting in values from 2.91 eV for CeO₂ to 2.32 eV for the mixed oxide with 30/70 Cu/Ce molar ratio. These results indicate that below 30/70 Cu/Ce molar ratio, Cu 2+ is at least partially incorporated into the ceria lattice and very well dispersed in general. In addition, the photodegradation of Indigo Carmine dye under visible light irradiation was explored for selected samples; it was shown that these materials can remove such contaminants, either by adsorption and/or photodegradation. The results obtained will encourage investigation into the optical and photocatalytic properties of these mixed oxides, for widening their potential applications.

Photo series for quantifying fuels and assessing fire risk in giant sequoia groves. Forest Service general technical report

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

Weise, D.R.; Gelobter, A.; Haase, S.M.

1997-03-01

Fuels and stand inventory data are presented for giant sequoia by using 18 different photos located in giant sequoia/mixed conifer stands in the Sierra Nevada of California. Total fuel loading ranges from 7 to 72 tons/acre. The stands have been subjected to a variety of disturbances including timbers harvesting, wildfire, prescribed fire, and recreational use. Fire behavior predictions were made by using 10th, 50th, and 90th percentile weather conditions and the inventoried fuels information. The long-term visual impacts of the various management activities can also be partially assessed with this photo series.

Synthesis of Mixed Cu/Ce Oxide Nanoparticles by the Oil-in-Water Microemulsion Reaction Method

PubMed Central

Pemartin-Biernath, Kelly; Vela-González, Andrea V.; Moreno-Trejo, Maira B.; Leyva-Porras, César; Castañeda-Reyna, Iván E.; Juárez-Ramírez, Isaías; Solans, Conxita; Sánchez-Domínguez, Margarita

2016-01-01

Cerium oxide and mixed Cu/Ce oxide nanoparticles were prepared by the oil-in-water (O/W) microemulsion reaction method in mild conditions. The Cu/Ce molar ratio was varied between 0/100 and 50/50. According to X-ray diffraction (XRD), below 30/70 Cu/Ce molar ratio, the materials presented a single phase consistent with cubic fluorite CeO2. However, above Cu/Ce molar ratio 30/70, an excess monoclinic CuO phase in coexistence with the predominant Cu/Ce mixed oxide was detected by XRD and High-Resolution Transmission Electron Microscopy (HRTEM). Raman spectroscopy showed that oxygen vacancies increased significantly as the Cu content was increased. Band gap (Eg) was investigated as a function of the Cu/Ce molar ratio, resulting in values from 2.91 eV for CeO2 to 2.32 eV for the mixed oxide with 30/70 Cu/Ce molar ratio. These results indicate that below 30/70 Cu/Ce molar ratio, Cu2+ is at least partially incorporated into the ceria lattice and very well dispersed in general. In addition, the photodegradation of Indigo Carmine dye under visible light irradiation was explored for selected samples; it was shown that these materials can remove such contaminants, either by adsorption and/or photodegradation. The results obtained will encourage investigation into the optical and photocatalytic properties of these mixed oxides, for widening their potential applications. PMID:28773602

Process for the conversion of and aqueous biomass hydrolyzate into fuels or chemicals by the selective removal of fermentation inhibitors

DOEpatents

Hames, Bonnie R.; Sluiter, Amie D.; Hayward, Tammy K.; Nagle, Nicholas J.

2004-05-18

A process of making a fuel or chemical from a biomass hydrolyzate is provided which comprises the steps of providing a biomass hydrolyzate, adjusting the pH of the hydrolyzate, contacting a metal oxide having an affinity for guaiacyl or syringyl functional groups, or both and the hydrolyzate for a time sufficient to form an adsorption complex; removing the complex wherein a sugar fraction is provided, and converting the sugar fraction to fuels or chemicals using a microorganism.

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

Andersson, Anders David Ragnar; Stanek, Christopher Richard; Noordhoek, Mark J.

Uranium silicides, in particular U 3Si 2, are being explored as an advanced nuclear fuel with increased accident tolerance as well as competitive economics compared to the baseline UO2 fuel. They benefit from high thermal conductivity (metallic) compared to UO 2 fuel (insulator or semi-conductor) used in current Light Water Reactors (LWRs). The U-Si fuels also have higher fissile density. In order to perform meaningful engineering scale nuclear fuel performance simulations, the material properties of the fuel, including the response to irradiation environments, must be known. Unfortunately, the data available for USi fuels are rather limited, in particular for themore » temperature range where LWRs would operate. The ATF HIP is using multi-scale modeling and simulations to address this knowledge gap.« less

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

Andersson, Anders David Ragnar; Stanek, Christopher Richard; Noordhoek, Mark

Uranium silicides, in particular U 3Si 2, are being explored as an advanced nuclear fuel with increased accident tolerance as well as competitive economics compared to the baseline UO 2 fuel. They benefit from high thermal conductivity (metallic) compared to UO 2 fuel (insulator or semi-conductor) used in current Light Water Reactors (LWRs). The U-Si fuels also have higher fissile density. In order to perform meaningful engineering scale nuclear fuel performance simulations, the material properties of the fuel, including the response to irradiation environments, must be known. Unfortunately, the data available for USi fuels are rather limited, in particular formore » the temperature range where LWRs would operate. The ATF HIP is using multi-scale modeling and simulations to address this knowledge gap.« less

Method of CO and/or CO.sub.2 hydrogenation using doped mixed-metal oxides

DOEpatents

Shekhawat, Dushyant; Berry, David A.; Haynes, Daniel J.; Abdelsayed, Victor; Smith, Mark W.; Spivey, James J.

2015-10-06

A method of hydrogenation utilizing a reactant gas mixture comprising a carbon oxide and a hydrogen agent, and a hydrogenation catalyst comprising a mixed-metal oxide containing metal sites supported and/or incorporated into the lattice. The mixed-metal oxide comprises a perovskite, a pyrochlore, a fluorite, a brownmillerite, or mixtures thereof doped at the A-site or the B-site. The metal site may comprise a deposited metal, where the deposited metal is a transition metal, an alkali metal, an alkaline earth metal, or mixtures thereof. Contact between the carbon oxide, hydrogen agent, and hydrogenation catalyst under appropriate conditions of temperature, pressure and gas flow rate generate a hydrogenation reaction and produce a hydrogenated product made up of carbon from the carbon oxide and some portion of the hydrogen agent. The carbon oxide may be CO, CO.sub.2, or mixtures thereof and the hydrogen agent may be H.sub.2. In a particular embodiment, the hydrogenated product comprises an alcohol, an olefin, an aldehyde, a ketone, an ester, an oxo-product, or mixtures thereof.

Photocatalytic polyoxometalate compositions of tungstovanadates and uses as water oxidation catalysts

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

Hill, Craig L.; Gueletii, Iourii V.; Song, Jie

This disclosure relates to photocatalytic polyoxometalate compositions of tungstovanadates and uses as water oxidation catalysts. In certain embodiments, the disclosure relates to compositions comprising water, a complex of a tetra-metal oxide cluster and VW.sub.9O.sub.34 ligands, and a photosensitizer. Typically, the metal oxide cluster is Co. In certain embodiments, the disclosure relates to electrodes and other devices comprising water oxidation catalysts disclosed herein and uses in generating fuels and electrical power from solar energy.

FY2015 Annual Report for Alternative Fuels DISI Engine Research.

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

Sjöberg, Carl-Magnus G.

2016-01-01

Climate change and the need to secure energy supplies are two reasons for a growing interest in engine efficiency and alternative fuels. This project contributes to the science-base needed by industry to develop highly efficient DISI engines that also beneficially exploit the different properties of alternative fuels. Our emphasis is on lean operation, which can provide higher efficiencies than traditional non-dilute stoichiometric operation. Since lean operation can lead to issues with ignition stability, slow flame propagation and low combustion efficiency, we focus on techniques that can overcome these challenges. Specifically, fuel stratification is used to ensure ignition and completeness ofmore » combustion but has soot- and NOx- emissions challenges. For ultralean well-mixed operation, turbulent deflagration can be combined with controlled end-gas auto-ignition to render mixed-mode combustion that facilitates high combustion efficiency. However, the response of both combustion and exhaust emissions to these techniques depends on the fuel properties. Therefore, to achieve optimal fuel-economy gains, the engine combustion-control strategies must be adapted to the fuel being utilized.« less

Properties of mixed molybdenum oxide iridium oxide thin films synthesized by spray pyrolysis

NASA Astrophysics Data System (ADS)

Patil, P. S.; Kawar, R. K.; Sadale, S. B.; Inamdar, A. I.; Deshmukh, H. P.

2006-09-01

Molybdenum-doped iridium oxide thin films have been deposited onto corning glass- and fluorine-doped tin oxide coated corning glass substrates at 350 °C by using a pneumatic spray pyrolysis technique. An aqueous solution of 0.01 M ammonium molybdate was mixed with 0.01 M iridium trichloride solution in different volume proportions and the resultant solution was used as a precursor solution for spraying. The as-deposited samples were annealed at 600 °C in air medium for 1 h. The structural, electrical and optical properties of as-deposited and annealed Mo-doped iridium oxide were studied and values of room temperature electrical resistivity, and thermoelectric power were estimated. The as-deposited samples with 2% Mo doping exhibit more pronounced electrochromism than other samples, including pristine Ir oxide.

Isolation of high purity americium metal via distillation

NASA Astrophysics Data System (ADS)

Squires, Leah N.; King, James A.; Fielding, Randall S.; Lessing, Paul

2018-03-01

Pure americium metal is a crucial component for the fabrication of transmutation fuels. Unfortunately, americium in pure metal form is not available; however, a number of mixed metals and mixed oxides that include americium are available. In this manuscript a method is described to obtain high purity americium metal from a mixture of americium and neptunium metals with lead impurity via distillation.

Synoptic-to-planetary scale wind variability enhances phytoplankton biomass at ocean fronts

NASA Astrophysics Data System (ADS)

Whitt, D. B.; Taylor, J. R.; Lévy, M.

2017-06-01

In nutrient-limited conditions, phytoplankton growth at fronts is enhanced by winds, which drive upward nutrient fluxes via enhanced turbulent mixing and upwelling. Hence, depth-integrated phytoplankton biomass can be 10 times greater at isolated fronts. Using theory and two-dimensional simulations with a coupled physical-biogeochemical ocean model, this paper builds conceptual understanding of the physical processes driving upward nutrient fluxes at fronts forced by unsteady winds with timescales of 4-16 days. The largest vertical nutrient fluxes occur when the surface mixing layer penetrates the nutricline, which fuels phytoplankton in the mixed layer. At a front, mixed layer deepening depends on the magnitude and direction of the wind stress, cross-front variations in buoyancy and velocity at the surface, and potential vorticity at the base of the mixed layer, which itself depends on past wind events. Consequently, mixing layers are deeper and more intermittent in time at fronts than outside fronts. Moreover, mixing can decouple in time from the wind stress, even without other sources of physical variability. Wind-driven upwelling also enhances depth-integrated phytoplankton biomass at fronts; when the mixed layer remains shallower than the nutricline, this results in enhanced subsurface phytoplankton. Oscillatory along-front winds induce both oscillatory and mean upwelling. The mean effect of oscillatory vertical motion is to transiently increase subsurface phytoplankton over days to weeks, whereas slower mean upwelling sustains this increase over weeks to months. Taken together, these results emphasize that wind-driven phytoplankton growth is both spatially and temporally intermittent and depends on a diverse combination of physical processes.

Mechanistic insight into oxide-promoted palladium catalysts for the electro-oxidation of ethanol.

PubMed

Martinez, Ulises; Serov, Alexey; Padilla, Monica; Atanassov, Plamen

2014-08-01

Recent advancements in the development of alternatives to proton exchange membrane fuel cells utilizing less-expensive catalysts and renewable liquid fuels, such as alcohols, has been observed for alkaline fuel cell systems. Alcohol fuels present the advantage of not facing the challenge of storage and transportation encountered with hydrogen fuel. Oxidation of alcohols has been improved by the promotion of alloyed or secondary phases. Nevertheless, currently, there is no experimental understanding of the difference between an intrinsic and a synergistic promotion effect in high-pH environments. This report shows evidence of different types of promotion effects on palladium electrocatalysts obtained from the presence of an oxide phase for the oxidation of ethanol. The correlation of mechanistic in situ IR spectroscopic studies with electrochemical voltammetry studies on two similar electrocatalytic systems allow the role of either an alloyed or a secondary phase on the mechanism of oxidation of ethanol to be elucidated. Evidence is presented for the difference between an intrinsic effect obtained from an alloyed system and a synergistic effect produced by the presence of an oxide phase. © 2014 WILEY-VCH Verlag GmbH & Co. KGaA, Weinheim.

Counting neutrons from the spontaneous fission of {sup 238}U using scintillation detectors and mixed field analysers

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

Parker, Helen M. O'D.; Joyce, Malcolm J.; Jones, Ashley

2015-07-01

It is well documented that {sup 238}U decays by spontaneous fission, and that it is the main component of most nuclear fuels. As nuclear fuels are largely classed as Special Nuclear Material (SNM), they have to be fully accounted for by owners and processing facilities. One possible method for verifying declared amounts of SNM is to count the spontaneous neutrons produced from {sup 238}U. Using four EJ-309 liquid scintillation detectors and a mixed field analyser, spontaneous neutrons from 16.4 g of depleted uranium (0.3% enrichment) have been assayed. The assay method shows promising results and this proof of principle willmore » be researched further in order for it to be applied in an industrial setting. (authors)« less

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

Conformation and hydration of surface grafted and free polyethylene oxide chains in solutions

NASA Astrophysics Data System (ADS)

Dahal, Udaya; Wang, Zilu; Dormidontova, Elena

Due to the wide application of polyethylene oxide (PEO), ranging from biomedicine to fuel cells, it is one of the most studied polymers in the scientific world. In order to elucidate detailed molecular-level insights on the impact of surface grafting on PEO conformation, we performed atomistic molecular dynamics simulations of PEO chains in solution and grafted to a flat gold surface in different solvents. We examined the hydration as well as conformation of the free chain compared to the grafted polymer in pure water and mixed solvents. We find that grafted chains are stiffer and have a stronger tendency to form helical structures in isobutyric acid or mixture of isobutyric acid and water solution than the free chains in corresponding solutions. For grafted chains exposed to pure water the random coil conformation is retained at low grafting density, but becomes stretched and more dehydrated as the grafting density or temperature increases. This research is supported by NSF (DMR-1410928).

Dependence of the pour point of diesel fuels on the properties of the initial components

NASA Technical Reports Server (NTRS)

Ostashov, V. M.; Bobrovskiy, S. A.

1979-01-01

An analytical expression is obtained for the dependence of the pour point of diesel fuels on the pour point and weight relationship of the initial components. For determining the pour point of a multicomponent fuel mixture, it is assumed that the mixture of two components has the pour point of a separate equivalent component, then calculating the pour point of this equivalent component mixed with a third component, etc.

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

Coker, Eric Nicholas; Miller, James E.

A thermal oxidation-reduction cycle is disclosed that uses iron titanium oxide as the reactive material. The cycle may be used for the thermal splitting of water and/or carbon dioxide to form hydrogen and/or carbon monoxide. The formed compounds may be used as syngas precursors to form fuels.

Photochemical route for accessing amorphous metal oxide materials for water oxidation catalysis.

PubMed

Smith, Rodney D L; Prévot, Mathieu S; Fagan, Randal D; Zhang, Zhipan; Sedach, Pavel A; Siu, Man Kit Jack; Trudel, Simon; Berlinguette, Curtis P

2013-04-05

Large-scale electrolysis of water for hydrogen generation requires better catalysts to lower the kinetic barriers associated with the oxygen evolution reaction (OER). Although most OER catalysts are based on crystalline mixed-metal oxides, high activities can also be achieved with amorphous phases. Methods for producing amorphous materials, however, are not typically amenable to mixed-metal compositions. We demonstrate that a low-temperature process, photochemical metal-organic deposition, can produce amorphous (mixed) metal oxide films for OER catalysis. The films contain a homogeneous distribution of metals with compositions that can be accurately controlled. The catalytic properties of amorphous iron oxide prepared with this technique are superior to those of hematite, whereas the catalytic properties of a-Fe(100-y-z)Co(y)Ni(z)O(x) are comparable to those of noble metal oxide catalysts currently used in commercial electrolyzers.

POLLUTANT CONTROL TECHNIQUES FOR PACKAGE BOILERS: HARDWARE MODIFICATIONS AND ALTERNATE FUELS

EPA Science Inventory

The report gives results of investigations of four ways to control nitrogen oxide (NOx) emissions from package boilers (both field operating boilers and boiler simulators): (1) variations in combustor operating procedure; (2) combustion modification (flue gas recirculation and st...

Method of burning sulfur-containing fuels in a fluidized bed boiler

DOEpatents

Jones, Brian C.

1982-01-01

A method of burning a sulfur-containing fuel in a fluidized bed of sulfur oxide sorbent wherein the overall utilization of sulfur oxide sorbent is increased by comminuting the bed drain solids to a smaller average particle size, preferably on the order of 50 microns, and reinjecting the comminuted bed drain solids into the bed. In comminuting the bed drain solids, particles of spent sulfur sorbent contained therein are fractured thereby exposing unreacted sorbent surface. Upon reinjecting the comminuted bed drain solids into the bed, the newly-exposed unreacted sorbent surface is available for sulfur oxide sorption, thereby increasing overall sorbent utilization.

Testing piezoelectric sensors in a nuclear reactor environment

NASA Astrophysics Data System (ADS)

Reinhardt, Brian T.; Suprock, Andy; Tittmann, Bernhard

2017-02-01

Several Department of Energy Office of Nuclear Energy (DOE-NE) programs, such as the Fuel Cycle Research and Development (FCRD), Advanced Reactor Concepts (ARC), Light Water Reactor Sustainability, and Next Generation Nuclear Power Plants (NGNP), are investigating new fuels, materials, and inspection paradigms for advanced and existing reactors. A key objective of such programs is to understand the performance of these fuels and materials during irradiation. In DOE-NE's FCRD program, ultrasonic based technology was identified as a key approach that should be pursued to obtain the high-fidelity, high-accuracy data required to characterize the behavior and performance of new candidate fuels and structural materials during irradiation testing. The radiation, high temperatures, and pressure can limit the available tools and characterization methods. In this work piezoelectric transducers capable of making these measurements are developed. Specifically, three piezoelectric sensors (Bismuth Titanate, Aluminum Nitride, and Zinc Oxide) are tested in the Massachusetts Institute of Technology Research reactor to a fast neutron fluence of 8.65×1020 nf/cm2. It is demonstrated that Bismuth Titanate is capable of transduction up to 5 × 1020 nf/cm2, Zinc Oxide is capable of transduction up to at least 6.27 × 1020 nf/cm2, and Aluminum Nitride is capable of transduction up to at least 8.65 × 1020 nf/cm2.

Water Footprint and Land Requirement of Solar Thermochemical Jet-Fuel Production.

PubMed

Falter, Christoph; Pitz-Paal, Robert

2017-11-07

The production of alternative fuels via the solar thermochemical pathway has the potential to provide supply security and to significantly reduce greenhouse gas emissions. H 2 O and CO 2 are converted to liquid hydrocarbon fuels using concentrated solar energy mediated by redox reactions of a metal oxide. Because attractive production locations are in arid regions, the water footprint and the land requirement of this fuel production pathway are analyzed. The water footprint consists of 7.4 liters per liter of jet fuel of direct demand on-site and 42.4 liters per liter of jet fuel of indirect demand, where the dominant contributions are the mining of the rare earth oxide ceria, the manufacturing of the solar concentration infrastructure, and the cleaning of the mirrors. The area-specific productivity is found to be 33 362 liters per hectare per year of jet fuel equivalents, where the land coverage is mainly due to the concentration of solar energy for heat and electricity. The water footprint and the land requirement of the solar thermochemical fuel pathway are larger than the best power-to-liquid pathways but an order of magnitude lower than the best biomass-to-liquid pathways. For the production of solar thermochemical fuels arid regions are best-suited, and for biofuels regions of a moderate and humid climate.

Purification of uranium alloys by differential solubility of oxides and production of purified fuel precursors

DOEpatents

McLean, W. II; Miller, P.E.

1997-12-16

A method is described for purifying metallic alloys of uranium for use as nuclear reactor fuels in which the metal alloy is first converted to an oxide and then dissolved in nitric acid. Initial removal of metal oxide impurities not soluble in nitric acid is accomplished by filtration or other physical means. Further purification can be accomplished by carbonate leaching of uranyl ions from the partially purified solution or using traditional methods such as solvent extraction. 3 figs.

Purification of uranium alloys by differential solubility of oxides and production of purified fuel precursors

DOEpatents

McLean, II, William; Miller, Philip E.

1997-01-01

A method for purifying metallic alloys of uranium for use as nuclear reactor fuels in which the metal alloy is first converted to an oxide and then dissolved in nitric acid. Initial removal of metal oxide impurities not soluble in nitric acid is accomplished by filtration or other physical means. Further purification can be accomplished by carbonate leaching of uranyl ions from the partially purified solution or using traditional methods such as solvent extraction.

Evaluation of Non-Oxide Fuel for Fission-based Nuclear Reactors on Spacecraft

DTIC Science & Technology

smaller and potentially lighter core, whichis a significant advantage. The results of this study indicate that use of both UC and UN may result in significant weight savings due tohigher uranium loading density....The goal of this project was to study the performance of atypical uranium-based fuels in a nuclear reactor capable of producing 1 megawattof thermal...UN), or uranium carbide (UC) and compared their performance to uranium oxide (UO2) which is thefuel form used in the vast majority of commercial

Mixed titanium, silicon, and aluminum oxide nanostructures as novel adsorbent for removal of rhodamine 6G and methylene blue as cationic dyes from aqueous solution.

PubMed

Pal, Umapada; Sandoval, Alberto; Madrid, Sergio Isaac Uribe; Corro, Grisel; Sharma, Vivek; Mohanty, Paritosh

2016-11-01

Mixed oxide nanoparticles containing Ti, Si, and Al of 8-15 nm size range were synthesized using a combined sol-gel - hydrothermal method. Effects of composition on the structure, morphology, and optical properties of the nanoparticles were studied using X-ray diffraction (XRD), scanning electron microscopy (SEM), transmission electron microscopy (TEM), microRaman spectroscopy, and diffuse reflectance spectroscopy (DRS). Dye removal abilities of the nanoparticles from aqueous solutions were tested for different cationic dyes. While all the mixed oxide nanoparticles revealed high and fast adsorption of cationic dyes, the particles containing Ti and Si turned out to be the best. The adsorption kinetics and equilibrium adsorption behavior of the adsorbate - adsorbent systems could be well described by pseudo-second-order kinetics and Langmuir isotherm model, respectively. Estimated thermodynamic parameters revealed the adsorption process is spontaneous, driven mainly by the electrostatic force between the cationic dye molecules and negative charge at nanoparticle surface. Highest dye adsorption capacity (162.96 mg MB/g) of the mixed oxide nanostructures containing Ti and Si is associated to their high specific surface area, and the presence of surface Si-O(δ-) groups, in addition to the hydroxyl groups of amorphous titania. Mixed oxide nanoparticles containing 75% Ti and 25% Si seen to be the most efficient adsorbents for removing cationic dye molecules from wastewater. Copyright © 2016 Elsevier Ltd. All rights reserved.

Palliative effects of H2 on SOFCs operating with carbon containing fuels

NASA Astrophysics Data System (ADS)

Reeping, Kyle W.; Bohn, Jessie M.; Walker, Robert A.

2017-12-01

Chlorine can accelerate degradation of solid oxide fuel cell (SOFC) Ni-based anodes operating on carbon containing fuels through several different mechanisms. However, supplementing the fuel with a small percentage of excess molecular hydrogen effectively masks the degradation to the catalytic activity of the Ni and carbon fuel cracking reaction reactions. Experiments described in this work explore the chemistry behind the "palliative" effect of hydrogen on SOFCs operating with chlorine-contaminated, carbon-containing fuels using a suite of independent, complementary techniques. Operando Raman spectroscopy is used to monitor carbon accumulation and, by inference, Ni catalytic activity while electrochemical techniques including electrochemical impedance spectroscopy and voltammetry are used to monitor overall cell performance. Briefly, hydrogen not only completely hides degradation observed with chlorine-contaminated carbon-containing fuels, but also actively removes adsorbed chlorine from the surface of the Ni, allowing for the methane cracking reaction to continue, albeit at a slower rate. When hydrogen is removed from the fuel stream the cell fails immediately due to chlorine occupation of methane/biogas reaction sites.

Development of Mixed Ion-Electron Conducting Metal Oxides for Solid Oxide Fuel Cells

NASA Astrophysics Data System (ADS)

Kan, Wang Hay

A solid oxide fuel cell (SOFC) is an energy conversion device, which directly converts chemical fuels (e.g., H2, C xHy) into electricity and heat with high efficiency up to 90%. The by-product of CO2 can be safely sequestrated or subsequently chemically transformed back into fuels (e.g., CO, CH 4) by electrolysis using renewable energy sources such as solar and wind. The state-of-the-art Ni-YSZ anode is de-activated in the presence of ppm level of H2S and forming coke in hydrocarbons. Currently, mixed ion and electron conductors (MIECs) are considered as alternatives for Ni-YSZ in SOFCs. The key goal of the research was to develop mixed ion-electron conducting metal oxides based on B-site disordered perovskite-type Ba(Ca,Nb)1-x MxO3-delta (M = Mn, Fe, Co), the B-site 1:1 ordered perovskite-type (M = Mn, Fe, Co) and the Sr2PbO4-type Sr2Ce1-xPrxO4 for SOFCs. Ba2(Ca,Nb)2-xMxO6-delta was chemically stable in 30 ppm levels of H2S at 600 °C for 24 h and in pure CO2 at 800 °C for 24 h. The thermal expansion coefficients (TEC) of the as-prepared ordered perovskites was found to be comparable to Zr0.84Y0.16O1.92 (YSZ). The near-surface concentration of Fe2+ in Ba2Ca 0.67Fe0.33NbO6-delta was found to be about 3 times higher than that in the bulk sample. The electrochemical performance of Ba2Ca0.67M0.33NbO6-delta was assessed by ac impedance spectroscopy using a YSZ supported half-cell. The area specific polarization resistance (ASR) of all samples was found to decrease with increasing temperature. The ASR for H2 gas oxidation can be correlated to the higher concentration of low valence Fe2+ species near-surface (nano-scale). BaCa0.335M0.165Nb0.5O3-delta crystallizes in the B-site disordered primitive perovskite (space group Pm-3m) at 900 °C in air, which can be converted into the B-site 1:2 ordered perovskite (space group P-3m1) at 1200 °C and the B-site 1:1 ordered double perovskite phase (space group Fm-3m ) at 1300 °C. The chemical stability of the perovskites in CO 2 and H2 highly depends on the B-site cations ordering. The B-site disordered primitive perovskite phase is more readily reduced in dry and 3% H2O in 10% H2 balanced with 90% N2, and is less stable in CO2 at elevated temperatures, compared to the B-site 1:1 ordered double perovskite phase. The thermal decomposition is highly suppressed in Sr2Ce1--xPrxO 4 compounds for Pr > 0, suggesting that Pr improves the thermal stability of the compounds. Rietveld analysis of PXRD and SAED supported that both Pr and Ce ions are located on the 2a site in Pbam. Conductivity increases with Pr content in Sr2Ce1-xPrxO4. The highest total conductivity of 1.24 x 10--1 S cm--1 was observed for Sr2Ce0.2Pr0.8O 4 at 663 °C in air.

Method of forming particulate materials for thin-film solar cells

DOEpatents

Eberspacher, Chris; Pauls, Karen Lea

2004-11-23

A method for preparing particulate materials useful in fabricating thin-film solar cells is disclosed. Particulate materials is prepared by the method include for example materials comprising copper and indium and/or gallium in the form of single-phase, mixed-metal oxide particulates; multi-phase, mixed-metal particulates comprising a metal oxide; and multinary metal particulates.

77 FR 70193 - Shaw Areva MOX Services (Mixed Oxide Fuel Fabrication Facility); Notice of Atomic Safety and...

Federal Register 2010, 2011, 2012, 2013, 2014

2012-11-23

... MOX Services (Mixed Oxide Fuel Fabrication Facility); Notice of Atomic Safety and Licensing Board Reconstitution Pursuant to 10 CFR 2.313(c) and 2.321(b), the Atomic Safety and Licensing Board (Board) in the... Rockville, Maryland this 16th day of November 2012. E. Roy Hawkens, Chief Administrative Judge, Atomic...

Amorphous Mixed-Valence Vanadium Oxide/Exfoliated Carbon Cloth Structure Shows a Record High Cycling Stability.

PubMed

Song, Yu; Liu, Tian-Yu; Yao, Bin; Kou, Tian-Yi; Feng, Dong-Yang; Liu, Xiao-Xia; Li, Yat

2017-04-01

Previous studies show that vanadium oxides suffer from severe capacity loss during cycling in the liquid electrolyte, which has hindered their applications in electrochemical energy storage. The electrochemical instability is mainly due to chemical dissolution and structural pulverization of vanadium oxides during charge/discharge cyclings. In this study the authors demonstrate that amorphous mixed-valence vanadium oxide deposited on exfoliated carbon cloth (CC) can address these two limitations simultaneously. The results suggest that tuning the V 4+ /V 5+ ratio of vanadium oxide can efficiently suppress the dissolution of the active materials. The oxygen-functionalized carbon shell on exfoliated CC can bind strongly with VO x via the formation of COV bonding, which retains the electrode integrity and suppresses the structural degradation of the oxide during charging/discharging. The uptake of structural water during charging and discharging processes also plays an important role in activating the electrode material. The amorphous mixed-valence vanadium oxide without any protective coating exhibits record-high cycling stability in the aqueous electrolyte with no capacitive decay in 100 000 cycles. This work provides new insights on stabilizing vanadium oxide, which is critical for the development of vanadium oxide based energy storage devices. © 2017 WILEY-VCH Verlag GmbH & Co. KGaA, Weinheim.

Nitrous oxide emission and soil carbon sequestration from herbaceous perennial biofuel feedstocks

USDA-ARS?s Scientific Manuscript database

Greenhouse gas (GHG) mitigation and renewable, domestic fuels are needed in the United States. Switchgrass (Panicum virgatum L.) and big bluestem (Andropogon gerdardii Vitman) are potential bioenergy feedstocks that may meet this need. However, managing perennial grasses for feedstock requires nitro...

Fuel variability following wildfire in forests with mixed severity fire regimes, Cascade Range, USA

Treesearch

Jessica L. Hudec; David L. Peterson

2012-01-01

Fire severity influences post-burn structure and composition of a forest and the potential for a future fire to burn through the area. The effects of fire on forests with mixed severity fire regimes are difficult to predict and interpret because the quantity, structure, and composition of forest fuels vary considerably. This study examines the relationship between fire...

Silver(II) Oxide or Silver(I,III) Oxide?

ERIC Educational Resources Information Center

Tudela, David

2008-01-01

The often called silver peroxide and silver(II) oxide, AgO or Ag[subscript 2]O[subscript 2], is actually a mixed oxidation state silver(I,III) oxide. A thermochemical cycle, with lattice energies calculated within the "volume-based" thermodynamic approach, explain why the silver(I,III) oxide is more stable than the hypothetical silver(II) oxide.…

Seasonal variation in surface fuel moisture between unthinned and thinned mixed conifer forest, northern California, USA

Treesearch

Becky L. Estes; Eric E. Knapp; Carl N. Skinner; Fabian C. C. Uzoh

2012-01-01

Reducing stand density is often used as a tool for mitigating the risk of high-intensity crown fires. However, concern has been expressed that opening stands might lead to greater drying of surface fuels, contributing to increased fire risk. The objective of this study was to determine whether woody fuel moisture differed between unthinned and thinned mixed-conifer...

Science You Can Use Bulletin: Revisiting disturbance: A new guide for keeping dry mixed conifer forests healthy through fuel management

Treesearch

Sue Miller; Theresa Jain; Mike A. Battaglia; Han-Sup Han; Russell T. Graham; Christopher R. Keyes; Jeremy S. Fried; Jonathan E. Sandquist

2014-01-01

Planning for hazardous fuels reduction can be challenging, given that land managers must balance multiple resource objectives. To help managers with planning and implementing fuel treatments, the Rocky Mountain Research Station, with support from the Joint Fire Science Program, has published A Comprehensive Guide to Fuel Management Practices for Dry Mixed Conifer...

Minor Actinides-Loaded FBR Core Concept Suitable for the Introductory Period in Japan

NASA Astrophysics Data System (ADS)

Fujimura, Koji; Sasahira, Akira; Yamashita, Junichi; Fukasawa, Tetsuo; Hoshino, Kuniyoshi

According to the Japan's Framework for Nuclear Energy Policy(1), a basic scenario for fast breeder reactors (FBRs) is that they will be introduced on a commercial basis starting around 2050 replacing light water reactors (LWRs). During the FBR introduction period, the Pu from LWR spent fuel is used for FBR startup. Howerver, the FBR core loaded with this Pu has a larger burnup reactivity due to its larger isotopic content of Pu-241 than a core loaded with Pu from an FBR multi-recycling core. The increased burnup reactivity may reduce the cycle length of an FBR. We investigated, an FBR transitional core concept to confront the issues of the FBR introductory period in Japan. Core specifications are based on the compact-type sodium-cooled mixed oxide (MOX)-fueled core designed from the Japanese FBR cycle feasibility studies, because lower Pu inventory should be better for the FBR introductory period in view of its flexibility for the required reprocessing amount of LWR spent fuel to start up FBRs. The reference specifications were selected as follows. Output of 1500MWe and average discharge fuel burnup of about 150GWd/t. Minor Actinides (MAs) recovered from LWR spent fuels which provide Pu to startup FBRs are loaded to the initial loading fuels and exchanged fuels during few cycles until equilibrium. We made the MA content of the initial loading fuel four kinds like 0%, 3%, 4%, 5%. The average of the initial loading fuel is assumed to be 3%, and that of the exchange fuel is set as 5%. This 5% maximum of the MA content is based on the irradiation results of the experimental fast reactor Joyo. We evaluated the core performances including burnup characteristics and the reactivity coefficient and confirmed that transitional core from initial loading until equilibrium cycle with loaded Pu from LWR spent fuel performs similary to an FBR multi-recycling core.

Dry forests and wildland fires of the inland Northwest USA: contrasting the landscape ecology of the pre-settlement and modern eras.

Treesearch

Paul F. Hessburg; James K. Agee; Jerry F. Franklin

2005-01-01

Prior to Euro-American settlement, dry ponderosa pine and mixed conifer forests (hereafter, the "dry forests") of the Inland Northwest were burned by frequent low- or mixed-severity fires. These mostly surface fires maintained low and variable tree densities, light and patchy ground fuels, simplified forest structure, and favored fire-tolerant trees, such as...

A comprehensive guide to fuel management practices for dry mixed conifer forests in the northwestern United States: Prescribed fire

Treesearch

Theresa B. Jain; Mike A. Battaglia; Han-Sup Han; Russell T. Graham; Christopher R. Keyes; Jeremy S. Fried; Jonathan E. Sandquist

2014-01-01

Fire has had a profound historical role in shaping dry mixed conifer forests in the western United States. However, the uncertainty and complexity of prescribed fires raises the question “Is fire always the best option for treating fuels?” The decision to use prescribed fire is dependent upon several factors.

Comparison of Iron and Tungsten Based Oxygen Carriers for Hydrogen Production Using Chemical Looping Reforming

NASA Astrophysics Data System (ADS)

Khan, M. N.; Shamim, T.

2017-08-01

Hydrogen production by using a three reactor chemical looping reforming (TRCLR) technology is an innovative and attractive process. Fossil fuels such as methane are the feedstocks used. This process is similar to a conventional steam-methane reforming but occurs in three steps utilizing an oxygen carrier. As the oxygen carrier plays an important role, its selection should be done carefully. In this study, two oxygen carrier materials of base metal iron (Fe) and tungsten (W) are analysed using a thermodynamic model of a three reactor chemical looping reforming plant in Aspen plus. The results indicate that iron oxide has moderate oxygen carrying capacity and is cheaper since it is abundantly available. In terms of hydrogen production efficiency, tungsten oxide gives 4% better efficiency than iron oxide. While in terms of electrical power efficiency, iron oxide gives 4.6% better results than tungsten oxide. Overall, a TRCLR system with iron oxide is 2.6% more efficient and is cost effective than the TRCLR system with tungsten oxide.

Emissions of greenhouse gases from the use of transportation fuels and electricity. Volume 2: Appendixes A--S

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

DeLuchi, M.A.

1993-11-01

This volume contains the appendices to the report on Emission of Greenhouse Gases from the Use of Transportation Fuels and Electricity. Emissions of methane, nitrous oxide, carbon monoxide, and other greenhouse gases are discussed. Sources of emission including vehicles, natural gas operations, oil production, coal mines, and power plants are covered. The various energy industries are examined in terms of greenhouse gas production and emissions. Those industries include electricity generation, transport of goods via trains, trucks, ships and pipelines, coal, natural gas and natural gas liquids, petroleum, nuclear energy, and biofuels.

STABILITY EVALUATION OF MULTICOMPONENT EPA PROTOCOL GASES

EPA Science Inventory

Acid rain occurs when sulfur dioxide and nitrogen oxide emissions are transformed in the atmosphere and return to earth in rain, fog or snow. ost of the emissions are from the burning of fossil fuels by electric utilities. he electric utilities must reduce their emissions to comp...

Performance of a peroxide-based cetane improvement additive in different diesel fuels

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

Nandi, M.K.; Jacobs, D.C.; Liotta, F.J. Jr.

The implementation of stringent diesel engine emissions regulations is growing worldwide. The use of high cetane diesel fuels is a cost-effective option that can be used to reduce engine emissions. A direct comparison of heavy-duty diesel engine emissions for three different low sulfur diesel fuels treated with di-t-butyl peroxide and 2-ethylhexyl nitrate, at the same cetane level, was evaluated. Both the peroxide and the nitrate cetane improvement additive significantly reduced all regulated and unregulated emissions including the oxides of nitrogen (NOx) emission. Di-t-butyl peroxide shows a small advantage over ethylhexyl nitrate in reducing NOx in all the three fuels. Compatibilitymore » of the peroxide and the nitrate additives, when mixed in a fuel blend, has been demonstrated by cetane response and engine emissions for the fuel blend. 13 refs., 2 figs., 9 tabs.« less

Molecular dynamics simulation of nitric oxide in myoglobin

USGS Publications Warehouse

Lee, Myung Won; Meuwly, Markus

2012-01-01

The infrared (IR) spectroscopy and ligand migration of photodissociated nitric oxide (NO) in and around the active sites in myoglobin (Mb) are investigated. A distributed multipolar model for open-shell systems is developed and used, which allows one to realistically describe the charge distribution around the diatomic probe molecule. The IR spectra were computed from the trajectories for two conformational substates at various temperatures. The lines are narrow (width of 3–7 cm–1 at 20–100 K), in agreement with the experimental observations where they have widths of 4–5 cm–1 at 4 K. It is found that within one conformational substate (B or C) the splitting of the spectrum can be correctly described compared with recent experiments. Similar to photodissociated CO in Mb, additional substates exist for NO in Mb, which are separated by barriers below 1 kcal/mol. Contrary to full quantum mechanical calculations, however, the force field and mixed QM/MM simulations do not correctly describe the relative shifts between the B- and C-states relative to gas-phase NO. Free energy simulations establish that NO preferably localizes in the distal site and the barrier for migration to the neighboring Xe4 pocket is ΔGB→C = 1.7–2.0 kcal/mol. The reverse barrier is ΔGB←C = 0.7 kcal/mol, which agrees well with the experimental value of 0.7 kcal/mol, estimated from kinetic data.

Salt transport extraction of transuranium elements from LWR fuel

DOEpatents

Pierce, R.D.; Ackerman, J.P.; Battles, J.E.; Johnson, T.R.; Miller, W.E.

1992-11-03

A process is described for separating transuranium actinide values from uranium values present in spent nuclear oxide fuels which contain rare earth and noble metal fission products. The oxide fuel is reduced with Ca metal in the presence of CaCl[sub 2] and a Cu--Mg alloy containing not less than about 25% by weight Mg at a temperature in the range of from about 750 C to about 850 C to precipitate uranium metal and some of the noble metal fission products leaving the Cu--Mg alloy having transuranium actinide metals and rare earth fission product metals and some of the noble metal fission products dissolved therein. The CaCl[sub 2] having CaO and fission products of alkali metals and the alkali earth metals and iodine dissolved therein is separated and electrolytically treated with a carbon electrode to reduce the CaO to Ca metal while converting the carbon electrode to CO and CO[sub 2]. The Ca metal and CaCl[sub 2] is recycled to reduce additional oxide fuel. The Cu--Mg alloy having transuranium metals and rare earth fission product metals and the noble metal fission products dissolved therein is contacted with a transport salt including MgCl[sub 2] to transfer Mg values from the transport salt to the Cu--Mg alloy while transuranium actinide and rare earth fission product metals transfer from the Cu--Mg alloy to the transport salt. Then the transport salt is mixed with a Mg--Zn alloy to transfer Mg values from the alloy to the transport salt while the transuranium actinide and rare earth fission product values dissolved in the salt are reduced and transferred to the Mg--Zn alloy. 2 figs.

Status of advanced fuel candidates for Sodium Fast Reactor within the Generation IV International Forum

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

F. Delage; J. Carmack; C. B. Lee

2013-10-01

The main challenge for fuels for future Sodium Fast Reactor systems is the development and qualification of a nuclear fuel sub-assembly which meets the Generation IV International Forum goals. The Advanced Fuel project investigates high burn-up minor actinide bearing fuels as well as claddings and wrappers to withstand high neutron doses and temperatures. The R&D outcome of national and collaborative programs has been collected and shared between the AF project members in order to review the capability of sub-assembly material and fuel candidates, to identify the issues and select the viable options. Based on historical experience and knowledge, both oxidemore » and metal fuels emerge as primary options to meet the performance and the reliability goals of Generation IV SFR systems. There is a significant positive experience on carbide fuels but major issues remain to be overcome: strong in-pile swelling, atmosphere required for fabrication as well as Pu and Am losses. The irradiation performance database for nitride fuels is limited with longer term R&D activities still required. The promising core material candidates are Ferritic/Martensitic (F/M) and Oxide Dispersed Strengthened (ODS) steels.« less

Direct Internal Reformation and Mass Transport in the Solid Oxide Fuel Cell Anode: A Pore-Scale Lattice Boltzmann Study with Detailed Reaction Kinetics

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

Grew, Kyle N.; Joshi, Abhijit S.; Chiu, W. K. S.

2010-11-30

The solid oxide fuel cell (SOFC) allows the conversion of chemical energy that is stored in a given fuel, including light hydrocarbons, to electrical power. Hydrocarbon fuels, such as methane, are logistically favourable and provide high energy densities. However, the use of these fuels often results in a decreased efficiency and life. An improved understanding of the reactive flow in the SOFC anode can help address these issues. In this study, the transport and heterogeneous internal reformation of a methane based fuel is addressed. The effect of the SOFC anode's complex structure on transport and reactions is shown to exhibitmore » a complicated interplay between the local molar concentrations and the anode structure. Strong coupling between the phenomenological microstructures and local reformation reaction rates are recognised in this study, suggesting the extension to actual microstructures may provide new insights into the reformation processes.« less

Improved performances of organic light-emitting diodes with mixed layer and metal oxide as anode buffer

NASA Astrophysics Data System (ADS)

Xue, Qin; Liu, Shouyin; Zhang, Shiming; Chen, Ping; Zhao, Yi; Liu, Shiyong

2013-01-01

We fabricated organic light-emitting devices (OLEDs) employing 2-methyl-9,10-di(2-naphthyl)-anthracene (MADN) as hole-transport material (HTM) instead of commonly used N,N'-bis-(1-naphthyl)-N,N'-diphenyl,1,1'-biphenyl-4,4'-diamine (NPB). After inserting a 0.9 nm thick molybdenum oxide (MoOx) layer at the indium tin oxide (ITO)/MADN interface and a 5 nm thick mixed layer at the organic/organic heterojunction interface, the power conversion efficiency of the device can be increased by 4-fold.

Salt transport extraction of transuranium elements from lwr fuel

DOEpatents

Pierce, R. Dean; Ackerman, John P.; Battles, James E.; Johnson, Terry R.; Miller, William E.

1992-01-01

A process of separating transuranium actinide values from uranium values present in spent nuclear oxide fuels which contain rare earth and noble metal fission products. The oxide fuel is reduced with Ca metal in the presence of CaCl.sub.2 and a Cu--Mg alloy containing not less than about 25% by weight Mg at a temperature in the range of from about 750.degree. C. to about 850.degree. C. to precipitate uranium metal and some of the noble metal fission products leaving the Cu--Mg alloy having transuranium actinide metals and rare earth fission product metals and some of the noble metal fission products dissolved therein. The CaCl.sub.2 having CaO and fission products of alkali metals and the alkali earth metals and iodine dissolved therein is separated and electrolytically treated with a carbon electrode to reduce the CaO to Ca metal while converting the carbon electrode to CO and CO.sub.2. The Ca metal and CaCl.sub.2 is recycled to reduce additional oxide fuel. The Cu--Mg alloy having transuranium metals and rare earth fission product metals and the noble metal fission products dissolved therein is contacted with a transport salt including Mg Cl.sub.2 to transfer Mg values from the transport salt to the Cu--Mg alloy while transuranium actinide and rare earth fission product metals transfer from the Cu--Mg alloy to the transport salt. Then the transport salt is mixed with a Mg--Zn alloy to transfer Mg values from the alloy to the transport salt while the transuranium actinide and rare earth fission product values dissolved in the salt are reduced and transferred to the Mg--Zn alloy.

Analysis and Implementation of Accident Tolerant Nuclear Fuels

NASA Astrophysics Data System (ADS)

Prewitt, Benjamin Joseph

To improve the reliability and robustness of LWR, accident tolerant nuclear fuels and cladding materials are being developed to possibly replace the current UO2/zirconium system. This research highlights UN and U3Si 2, two of the most favorable accident tolerant fuels being developed. To evaluate the commercial feasiblilty of these fuels, two areas of research were conducted. Chemical fabrication routes for both fuels were investigated in detail, considering UO2 and UF6 as potential starting materials. Potential pathways for industrial scale fabrication using these methods were discussed. Neutronic performance of 70%UN-30%U3Si2 composite was evaluated in MNCP using PWR assembly and core models. The results showed comparable performance to an identical UO2 fueled simulation with the same configuration. The parameters simulated for composite and oxide fuel include the following: fuel to moderator ratio curves; energy dependent flux spectra; temperature coefficients for fuel and moderator; delayed neutron fractions; power peaking factors; axial and radial flux profiles in 2D and 3D; burnup; critical boron concentration; and shutdown margin. Overall, the neutronic parameters suggest that the transition from UO2 to composite in existing nuclear systems will not require significant changes in operating procedures or modifications to standards and regulations.

Review of Transient Testing of Fast Reactor Fuels in the Transient REActor Test Facility (TREAT)

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

Jensen, C.; Wachs, D.; Carmack, J.

The restart of the Transient REActor Test (TREAT) facility provides a unique opportunity to engage the fast reactor fuels community to reinitiate in-pile experimental safety studies. Historically, the TREAT facility played a critical role in characterizing the behavior of both metal and oxide fast reactor fuels under off-normal conditions, irradiating hundreds of fuel pins to support fast reactor fuel development programs. The resulting test data has provided validation for a multitude of fuel performance and severe accident analysis computer codes. This paper will provide a review of the historical database of TREAT experiments including experiment design, instrumentation, test objectives, andmore » salient findings. Additionally, the paper will provide an introduction to the current and future experiment plans of the U.S. transient testing program at TREAT.« less

Abundance of (14)C in biomass fractions of wastes and solid recovered fuels.

PubMed

Fellner, Johann; Rechberger, Helmut

2009-05-01

In recent years thermal utilization of mixed wastes and solid recovered fuels has become of increasing importance in European waste management. Since wastes or solid recovered fuels are generally composed of fossil and biogenic materials, only part of the CO(2) emissions is accounted for in greenhouse gas inventories or emission trading schemes. A promising approach for determining this fraction is the so-called radiocarbon method. It is based on different ratios of the carbon isotopes (14)C and (12)C in fossil and biogenic fuels. Fossil fuels have zero radiocarbon, whereas biogenic materials are enriched in (14)C and reflect the (14)CO(2) abundance of the ambient atmosphere. Due to nuclear weapons tests in the past century, the radiocarbon content in the atmosphere has not been constant, which has resulted in a varying (14)C content of biogenic matter, depending on the period of growth. In the present paper (14)C contents of different biogenic waste fractions (e.g., kitchen waste, paper, wood), as well as mixtures of different wastes (household, bulky waste, and commercial waste), and solid recovered fuels are determined. The calculated (14)C content of the materials investigated ranges between 98 and 135pMC.

Solid State Energy Conversion Alliance Delphi SOFC

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

Steven Shaffer; Gary Blake; Sean Kelly

2006-12-31

The following report details the results under the DOE SECA program for the period July 2006 through December 2006. Developments pertain to the development of a 3 to 5 kW Solid Oxide Fuel Cell power system for a range of fuels and applications. This report details technical results of the work performed under the following tasks for the SOFC Power System: Task 1 SOFC System Development; Task 2 Solid Oxide Fuel Cell Stack Developments; Task 3 Reformer Developments; Task 4 Development of Balance of Plant Components; Task 5 Project Management; and Task 6 System Modeling & Cell Evaluation for Highmore » Efficiency Coal-Based Solid Oxide Fuel Cell Gas Turbine Hybrid System.« less

Iron-phosphate ceramics for solidification of mixed low-level waste

DOEpatents

Aloy, Albert S.; Kovarskaya, Elena N.; Koltsova, Tatiana I.; Macheret, Yevgeny; Medvedev, Pavel G.; Todd, Terry

2000-01-01

A method of immobilizing mixed low-level waste is provided which uses low cost materials and has a relatively long hardening period. The method includes: forming a mixture of iron oxide powders having ratios, in mass %, of FeO:Fe.sub.2 O.sub.3 :Fe.sub.3 O.sub.4 equal to 25-40:40-10:35-50, or weighing a definite amount of magnetite powder. Metallurgical cinder can also be used as the source of iron oxides. A solution of the orthophosphoric acid, or a solution of the orthophosphoric acid and ferric oxide, is formed and a powder phase of low-level waste and the mixture of iron oxide powders or cinder (or magnetite powder) is also formed. The acid solution is mixed with the powder phase to form a slurry with the ratio of components (mass %) of waste:iron oxide powders or magnetite:acid solution=30-60:15-10:55-30. The slurry is blended to form a homogeneous mixture which is cured at room temperature to form the final product.

Effect of anode firing on the performance of lanthanum and nickel co-doped SrTiO3 (La0.2Sr0.8Ti0.9Ni0.1O3-δ) anode of solid oxide fuel cell

NASA Astrophysics Data System (ADS)

Park, Byung Hyun; Choi, Gyeong Man

2015-10-01

Perovskite oxides have potential for use as alternative anode materials in solid oxide fuel cells (SOFCs) due to stability in anode atmosphere; donor-doped SrTiO3 (e.g., La0.2Sr0.8TiO3-δ) is a good candidate for this purpose. Electro-catalytic nanoparticles can be produced in oxide anodes by the ex-solution method, e.g., by incorporating Ni into a perovskite oxide in air, then reducing the oxide in H2 atmosphere. In this study, we varied the temperature (1100, 1250 °C) and atmosphere (air, H2) of La0.2Sr0.8Ti0.9Ni0.1O3-δ (LSTN) anode firing to control the degree of Ni ex-solution and microstructure. LSTN fired at 1250 °C in H2 showed the best anodic performance for scandia-stabilized zirconia (ScSZ) electrolyte-supported cells in H2 and CH4 fuels due to the favorable microstructure and Ni ex-solution.

Mixed waste paper to ethanol fuel

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

Not Available

1991-01-01

The objectives of this study were to evaluate the use of mixed waste paper for the production of ethanol fuels and to review the available conversion technologies, and assess developmental status, current and future cost of production and economics, and the market potential. This report is based on the results of literature reviews, telephone conversations, and interviews. Mixed waste paper samples from residential and commercial recycling programs and pulp mill sludge provided by Weyerhauser were analyzed to determine the potential ethanol yields. The markets for ethanol fuel and the economics of converting paper into ethanol were investigated.

Oxygen ion-conducting dense ceramic

DOEpatents

Balachandran, Uthamalingam; Kleefisch, Mark S.; Kobylinski, Thaddeus P.; Morissette, Sherry L.; Pei, Shiyou

1998-01-01

Preparation, structure, and properties of mixed metal oxide compositions and their uses are described. Mixed metal oxide compositions of the invention have stratified crystalline structure identifiable by means of powder X-ray diffraction patterns. In the form of dense ceramic membranes, the present compositions demonstrate an ability to separate oxygen selectively from a gaseous mixture containing oxygen and one or more other volatile components by means of ionic conductivities.

REACTIONS OF FUEL NITROGEN COMPOUNDS UNDER CONDITIONS OF INERT PYROLYSIS

EPA Science Inventory

The paper describes the pyrolysis of fossil fuels and model nitrogen compounds in helium in a small quartz plow reactor, as part of a study of the chemical mechanisms involved in the conversion of fuel-nitrogen compounds to nitric oxide (NO) during combustion. Hydrogen cyanide (H...

3-Dimensional Computational Fluid Dynamics Modeling of Solid Oxide Fuel Cell Using Different Fuels

DTIC Science & Technology

2011-01-01

major types of fuel cells in practice are listed below: Polymer Electrolyte Membrane Fuel Cell ( PEMFC ) Alkaline Fuel cell (AFC) Phosphoric Acid...Material Operating Temperature (oC) Efficiency (%) PEMFC H2, Methanol, Formic Acid Hydrated Organic Polymer < 90 40-50 AFC Pure H2 Aqueous

Ab initio investigation of the thermal decomposition of n-butylcyclohexane.

PubMed

Ali, Mohamad Akbar; Dillstrom, V Tyler; Lai, Jason Y W; Violi, Angela

2014-02-13

Environmental and energy security concerns have motivated an increased focus on developing clean, efficient combustors, which increasingly relies on insight into the combustion chemistry of fuels. In particular, naphthenes (cycloalkanes and alkylcycloalkanes) are important chemical components of distillate fuels, such as diesel and jet fuels. As such, there is a growing interest in describing napthene reactivity with kinetic mechanisms. Use of these mechanisms in predictive combustion models aids in the development of combustors. This study focuses on the pyrolysis of n-butylcyclohexane (n-BCH), an important representative of naphthenes in jet fuels. Seven different unimolecular decomposition pathways of C-C bond fission were explored utilizing ab initio/DFT methods. Accurate reaction energies were computed using the high-level quantum composite G3B3 method. Variational transition state theory, Rice-Ramsperger-Kassel-Marcus/master equation simulations provided temperature- and pressure-dependent rate constants. Implementation of these pathways into an existing chemical kinetic mechanism improved the prediction of experimental OH radical and H2O speciation in shock tube oxidation. Simulations of this combustion showed a change in the expected decomposition chemistry of n-BCH, predicting increased production of cyclic alkyl radicals instead of straight-chain alkenes. The most prominent reaction pathway for the decomposition of n-BCH is n-BCH = C3H7 + C7H13. The results of this study provide insight into the combustion of n-BCH and will aid in the future development of naphthene kinetic mechanisms.

Aircraft emissions of methane and nitrous oxide during the alternative aviation fuel experiment.

PubMed

Santoni, Gregory W; Lee, Ben H; Wood, Ezra C; Herndon, Scott C; Miake-Lye, Richard C; Wofsy, Steven C; McManus, J Barry; Nelson, David D; Zahniser, Mark S

2011-08-15

Given the predicted growth of aviation and the recent developments of alternative aviation fuels, quantifying methane (CH(4)) and nitrous oxide (N(2)O) emission ratios for various aircraft engines and fuels can help constrain projected impacts of aviation on the Earth's radiative balance. Fuel-based emission indices for CH(4) and N(2)O were quantified from CFM56-2C1 engines aboard the NASA DC-8 aircraft during the first Alternative Aviation Fuel Experiment (AAFEX-I) in 2009. The measurements of JP-8 fuel combustion products indicate that at low thrust engine states (idle and taxi, or 4% and 7% maximum rated thrusts, respectively) the engines emit both CH(4) and N(2)O at a mean ± 1σ rate of 170 ± 160 mg CH(4) (kg Fuel)(-1) and 110 ± 50 mg N(2)O (kg Fuel)(-1), respectively. At higher thrust levels corresponding to greater fuel flow and higher engine temperatures, CH(4) concentrations in engine exhaust were lower than ambient concentrations. Average emission indices for JP-8 fuel combusted at engine thrusts between 30% and 100% of maximum rating were -54 ± 33 mg CH(4) (kg Fuel)(-1) and 32 ± 18 mg N(2)O (kg Fuel)(-1), where the negative sign indicates consumption of atmospheric CH(4) in the engine. Emission factors for the synthetic Fischer-Tropsch fuels were statistically indistinguishable from those for JP-8.

NEAMS FPL M2 Milestone Report: Development of a UO₂ Grain Size Model using Multicale Modeling and Simulation

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

Tonks, Michael R; Zhang, Yongfeng; Bai, Xianming

2014-06-01

This report summarizes development work funded by the Nuclear Energy Advanced Modeling Simulation program's Fuels Product Line (FPL) to develop a mechanistic model for the average grain size in UO₂ fuel. The model is developed using a multiscale modeling and simulation approach involving atomistic simulations, as well as mesoscale simulations using INL's MARMOT code.

Assessment for advanced fuel cycle options in CANDU

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

Morreale, A.C.; Luxat, J.C.; Friedlander, Y.

2013-07-01

The possible options for advanced fuel cycles in CANDU reactors including actinide burning options and thorium cycles were explored and are feasible options to increase the efficiency of uranium utilization and help close the fuel cycle. The actinide burning TRUMOX approach uses a mixed oxide fuel of reprocessed transuranic actinides from PWR spent fuel blended with natural uranium in the CANDU-900 reactor. This system reduced actinide content by 35% and decreased natural uranium consumption by 24% over a PWR once through cycle. The thorium cycles evaluated used two CANDU-900 units, a generator and a burner unit along with a drivermore » fuel feedstock. The driver fuels included plutonium reprocessed from PWR, from CANDU and low enriched uranium (LEU). All three cycles were effective options and reduced natural uranium consumption over a PWR once through cycle. The LEU driven system saw the largest reduction with a 94% savings while the plutonium driven cycles achieved 75% savings for PWR and 87% for CANDU. The high neutron economy, online fuelling and flexible compact fuel make the CANDU system an ideal reactor platform for many advanced fuel cycles.« less

Process Developed for Fabricating Engineered Pore Structures for High- Fuel-Utilization Solid Oxide Fuel Cells

NASA Technical Reports Server (NTRS)

Sofie, Stephen W.; Cable, Thomas L.; Salamone, Sam M.

2005-01-01

Solid oxide fuel cells (SOFCs) have tremendous commercial potential because of their high efficiency, high energy density, and flexible fuel capability (ability to use fossil fuels). The drive for high-power-utilizing, ultrathin electrolytes (less than 10 microns), has placed an increased demand on the anode to provide structural support, yet allow sufficient fuel entry for sustained power generation. Concentration polarization, a condition where the fuel demand exceeds the supply, is evident in all commercial-based anode-supported cells, and it presents a significant roadblock to SOFC commercialization.

Determination of 90Sr / 238U ratio by double isotope dilution inductively coupled plasma mass spectrometer with multiple collection in spent nuclear fuel samples with in situ 90Sr / 90Zr separation in a collision-reaction cell

NASA Astrophysics Data System (ADS)

Isnard, H.; Aubert, M.; Blanchet, P.; Brennetot, R.; Chartier, F.; Geertsen, V.; Manuguerra, F.

2006-02-01

Strontium-90 is one of the most important fission products generated in nuclear industry. In the research field concerning nuclear waste disposal in deep geological environment, it is necessary to quantify accurately and precisely its concentration (or the 90Sr / 238U atomic ratio) in irradiated fuels. To obtain accurate analysis of radioactive 90Sr, mass spectrometry associated with isotope dilution is the most appropriated method. But, in nuclear fuel samples the interference with 90Zr must be previously eliminated. An inductively coupled plasma mass spectrometer with multiple collection, equipped with an hexapole collision cell, has been used to eliminate the 90Sr / 90Zr interference by addition of oxygen in the collision cell as a reactant gas. Zr + ions are converted into ZrO +, whereas Sr + ions are not reactive. A mixed solution, prepared from a solution of enriched 84Sr and a solution of enriched 235U was then used to quantify the 90Sr / 238U ratio in spent fuel sample solutions using the double isotope dilution method. This paper shows the results, the reproducibility and the uncertainties that can be obtained with this method to quantify the 90Sr / 238U atomic ratio in an UOX (uranium oxide) and a MOX (mixed oxide) spent fuel samples using the collision cell of an inductively coupled plasma mass spectrometer with multiple collection to perform the 90Sr / 90Zr separation. A comparison with the results obtained by inductively coupled plasma mass spectrometer with multiple collection after a chemical separation of strontium from zirconium using a Sr spec resin (Eichrom) has been performed. Finally, to validate the analytical procedure developed, measurements of the same samples have been performed by thermal ionization mass spectrometry, used as an independent technique, after chemical separation of Sr.

Temperature sensitivity study of eddy current and digital gauge probes for nuclear fuel rod oxide measurement

NASA Astrophysics Data System (ADS)

Beck, Faith R.; Lind, R. Paul; Smith, James A.

2018-04-01

Novel fuels are part of the nationwide effort to reduce the enrichment of Uranium for energy production. Performance of such fuels is determined by irradiating their surfaces. To test irradiated samples, the instrumentation must operate remotely. The plate checker used in this experiment at Idaho National Lab (INL) performs non-destructive testing on fuel rod and plate geometries with two different types of sensors: eddy current and digital thickness gauges. The sensors measure oxide growth and total sample thickness on research fuels, respectively. Sensor measurement accuracy is crucial because even 10 microns of error is significant when determining the viability of an experimental fuel. One parameter known to affect the eddy current and thickness gauge sensors is temperature. Since both sensor accuracies depend on the ambient temperature of the system, the plate checker has been characterized for these sensitivities. The manufacturer of the digital gauge probes has noted a rather large coefficient of thermal expansion for their linear scale. It should also be noted that the accuracy of the digital gauge probes are specified at 20°C, which is approximately 7°C cooler than the average hot-cell temperature. In this work, the effect of temperature on the eddy current and digital gauge probes is studied, and thickness measurements are given as empirical functions of temperature.

Enhancing Sulfur Tolerance of Ni-Based Cermet Anodes of Solid Oxide Fuel Cells by Ytterbium-Doped Barium Cerate Infiltration.

PubMed

Li, Meng; Hua, Bin; Luo, Jing-Li; Jiang, San Ping; Pu, Jian; Chi, Bo; Li, Jian

2016-04-27

Conventional anode materials for solid oxide fuel cells (SOFCs) are Ni-based cermets, which are highly susceptible to deactivation by contaminants in hydrocarbon fuels. Hydrogen sulfide is one of the commonly existed contaminants in readily available natural gas and gasification product gases of pyrolysis of biomasses. Development of sulfur tolerant anode materials is thus one of the critical challenges for commercial viability and practical application of SOFC technologies. Here we report a viable approach to enhance substantially the sulfur poisoning resistance of a Ni-gadolinia-doped ceria (Ni-GDC) anode through impregnation of proton conducting perovskite BaCe0.9Yb0.1O3-δ (BCYb). The impregnation of BCYb nanoparticles improves the electrochemical performance of the Ni-GDC anode in both H2 and H2S containing fuels. Moreover, more importantly, the enhanced stability is observed in 500 ppm of H2S/H2. The SEM and XPS analysis indicate that the infiltrated BCYb fine particles inhibit the adsorption of sulfur and facilitate sulfur removal from active sites, thus preventing the detrimental interaction between sulfur and Ni-GDC and the formation of cerium sulfide. The preliminary results of the cell with the BCYb+Ni-GDC anode in methane fuel containing 5000 ppm of H2S show the promising potential of the BCYb infiltration approach in the development of highly active and stable Ni-GDC-based anodes fed with hydrocarbon fuels containing a high concentration of sulfur compounds.

Adopting Clean Fuels and Technologies on School Buses. Pollution and Health Impacts in Children.

PubMed

Adar, Sara D; D'Souza, Jennifer; Sheppard, Lianne; Kaufman, Joel D; Hallstrand, Teal S; Davey, Mark E; Sullivan, James R; Jahnke, Jordan; Koenig, Jane; Larson, Timothy V; Liu, L J Sally

2015-06-15

More than 25 million American children breathe polluted air on diesel school buses. Emission reduction policies exist, but the health impacts to individual children have not been evaluated. Using a natural experiment, we characterized the exposures and health of 275 school bus riders before, during, and after the adoption of clean technologies and fuels between 2005 and 2009. Air pollution was measured during 597 trips on 188 school buses. Repeated measures of exhaled nitric oxide (FeNO), lung function (FEV1, FVC), and absenteeism were also collected monthly (1,768 visits). Mixed-effects models longitudinally related the adoption of diesel oxidation catalysts (DOCs), closed crankcase ventilation systems (CCVs), ultralow-sulfur diesel (ULSD), or biodiesel with exposures and health. Fine and ultrafine particle concentrations were 10-50% lower on buses using ULSD, DOCs, and/or CCVs. ULSD adoption was also associated with reduced FeNO (-16% [95% confidence interval (CI), -21 to -10%]), greater changes in FVC and FEV1 (0.02 [95% CI, 0.003 to 0.05] and 0.01 [95% CI, -0.006 to 0.03] L/yr, respectively), and lower absenteeism (-8% [95% CI, -16.0 to -0.7%]), with stronger associations among patients with asthma. DOCs, and to a lesser extent CCVs, also were associated with improved FeNO, FVC growth, and absenteeism, but these findings were primarily restricted to patients with persistent asthma and were often sensitive to control for ULSD. No health benefits were noted for biodiesel. Extrapolating to the U.S. population, changed fuel/technologies likely reduced absenteeism by more than 14 million/yr. National and local diesel policies appear to have reduced children's exposures and improved health.

Dual-mode T1 and T2 magnetic resonance imaging contrast agent based on ultrasmall mixed gadolinium-dysprosium oxide nanoparticles: synthesis, characterization, and in vivo application

NASA Astrophysics Data System (ADS)

Tegafaw, Tirusew; Xu, Wenlong; Wasi Ahmad, Md; Baeck, Jong Su; Chang, Yongmin; Bae, Ji Eun; Chae, Kwon Seok; Kim, Tae Jeong; Lee, Gang Ho

2015-09-01

A new type of dual-mode T1 and T2 magnetic resonance imaging (MRI) contrast agent based on mixed lanthanide oxide nanoparticles was synthesized. Gd3+ (8S7/2) plays an important role in T1 MRI contrast agents because of its large electron spin magnetic moment resulting from its seven unpaired 4f-electrons, and Dy3+ (6H15/2) has the potential to be used in T2 MRI contrast agents because of its very large total electron magnetic moment: among lanthanide oxide nanoparticles, Dy2O3 nanoparticles have the largest magnetic moments at room temperature. Using these properties of Gd3+ and Dy3+ and their oxide nanoparticles, ultrasmall mixed gadolinium-dysprosium oxide (GDO) nanoparticles were synthesized and their potential to act as a dual-mode T1 and T2 MRI contrast agent was investigated in vitro and in vivo. The D-glucuronic acid coated GDO nanoparticles (davg = 1.0 nm) showed large r1 and r2 values (r2/r1 ≈ 6.6) and as a result clear dose-dependent contrast enhancements in R1 and R2 map images. Finally, the dual-mode imaging capability of the nanoparticles was confirmed by obtaining in vivo T1 and T2 MR images.

21 CFR 82.3 - Definitions.

Code of Federal Regulations, 2010 CFR

2010-04-01

...) The term mixed oxides means the sum of the quantities of aluminum, iron, calcium, and magnesium (in whatever combination they may exist in a coal-tar color) calculated as aluminum trioxide, ferric oxide, calcium oxide, and magnesium oxide. (k)-(m) [Reserved] (n) The term externally applied drugs and cosmetics...

Enhancement of oxidative electrocatalytic properties of platinum nanoparticles by supporting onto mixed WO3/ZrO2 matrix

NASA Astrophysics Data System (ADS)

Rutkowska, Iwona A.; Wadas, Anna; Kulesza, Pawel J.

2016-12-01

Nanostructured mixed metal (W, Zr) oxide matrices (in a form of layered intercalated films of WO3 and ZrO2) are considered here for supporting and activating catalytic platinum nanoparticles toward electrooxidation of ethanol. Remarkable increases of electrocatalytic (voltammetric, chronoamperometric) currents measured in 0.5 mol dm-3 H2SO4 (containing 0.5 mol dm-3 ethanol) have been observed. Comparison has been made to the behavior of methanol and acetaldehyde under analogous conditions. The enhancement effects are interpreted in terms of specific interactions between platinum nanoparticles and the metal oxide species, high acidity of the mixed oxide sites, as well as high population of surface hydroxyl groups and high mobility of protons existing in close vicinity of Pt catalytic sites. The metal oxide nanostructures are expected to interact competitively (via the surface hydroxyl groups) with adsorbates of the undesirable reaction intermediates, including CO, facilitating their desorption ("third body effect"), or even oxidative removal (e.g., of CO to CO2). The fact that the partially reduced tungsten oxide (HxWO3) component is characterized by fast electron transfers coupled to proton displacements tends to improve the overall charge propagation at the electrocatalytic interface.

Advanced high pressure engine study for mixed-mode vehicle applications

NASA Technical Reports Server (NTRS)

Luscher, W. P.; Mellish, J. A.

1977-01-01

High pressure liquid rocket engine design, performance, weight, envelope, and operational characteristics were evaluated for a variety of candidate engines for use in mixed-mode, single-stage-to-orbit applications. Propellant property and performance data were obtained for candidate Mode 1 fuels which included: RP-1, RJ-5, hydrazine, monomethyl-hydrazine, and methane. The common oxidizer was liquid oxygen. Oxygen, the candidate Mode 1 fuels, and hydrogen were evaluated as thrust chamber coolants. Oxygen, methane, and hydrogen were found to be the most viable cooling candidates. Water, lithium, and sodium-potassium were also evaluated as auxiliary coolant systems. Water proved to be the best of these, but the system was heavier than those systems which cooled with the engine propellants. Engine weight and envelope parametric data were established for candidate Mode 1, Mode 2, and dual-fuel engines. Delivered engine performance data were also calculated for all candidate Mode 1 and dual-fuel engines.

Solar fuels photoanode materials discovery by integrating high-throughput theory and experiment

DOE PAGES

Yan, Qimin; Yu, Jie; Suram, Santosh K.; ...

2017-03-06

The limited number of known low-band-gap photoelectrocatalytic materials poses a significant challenge for the generation of chemical fuels from sunlight. Here, using high-throughput ab initio theory with experiments in an integrated workflow, we find eight ternary vanadate oxide photoanodes in the target band-gap range (1.2-2.8 eV). Detailed analysis of these vanadate compounds reveals the key role of VO 4 structural motifs and electronic band-edge character in efficient photoanodes, initiating a genome for such materials and paving the way for a broadly applicable high-throughput-discovery and materials-by-design feedback loop. Considerably expanding the number of known photoelectrocatalysts for water oxidation, our study establishesmore » ternary metal vanadates as a prolific class of photoanodematerials for generation of chemical fuels from sunlight and demonstrates our high-throughput theory-experiment pipeline as a prolific approach to materials discovery.« less

NITROUS OXIDE CONCENTRATIONS IN SMALL STREAMS OF THE GEORGIA PIEDMONT

EPA Science Inventory

We are measuring the dissolved nitrous oxide concentration in 17 headwater streams in the South Fork Broad River, Georgia watershed on a monthly basis. The selected small streams drain watersheds dominated by forest, pasture, developed, or mixed land uses. Nitrous oxide concentr...

Ambient temperature NO oxidation over Cr-based amorphous mixed oxide catalysts: effects from the second oxide components

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

Wang, Aiyong; Lin, Bo; Zhang, Hanlei

2017-01-01

Three series of Cr-based mixed oxides (Cr-Co, Cr-Fe, and Cr-Ni oxides) with high specific surface areas and amorphous textures were synthesized using a novel sol-gel method. These mixed oxides, in comparison to their pure metal oxide (CrOx, Co3O4, FeOx and NiO) counterparts, display enhanced performance for catalytic oxidation of low-concentration NO at room temperature. The best performing catalysts achieve 100% NO conversion for ~30 h of operation at a high space velocity of 45,000 ml g-1 h-1. The amorphous structure was found to be critical for these catalysts to maintain high activity and durability. Control of Cr/M (M=Co, Fe andmore » Ni) molar ratio, nitrate precursor decomposition temperature and catalyst calcination temperature was key to the synthesis of these highly active catalysts.« less

Methodology for Formulating Diesel Surrogate Fuels with Accurate Compositional, Ignition-Quality, and Volatility Characteristics

DOE PAGES

Mueller, Charles J.; Cannella, William J.; Bruno, Thomas J.; ...

2012-05-22

In this study, a novel approach was developed to formulate surrogate fuels having characteristics that are representative of diesel fuels produced from real-world refinery streams. Because diesel fuels typically consist of hundreds of compounds, it is difficult to conclusively determine the effects of fuel composition on combustion properties. Surrogate fuels, being simpler representations of these practical fuels, are of interest because they can provide a better understanding of fundamental fuel-composition and property effects on combustion and emissions-formation processes in internal-combustion engines. In addition, the application of surrogate fuels in numerical simulations with accurate vaporization, mixing, and combustion models could revolutionizemore » future engine designs by enabling computational optimization for evolving real fuels. Dependable computational design would not only improve engine function, it would do so at significant cost savings relative to current optimization strategies that rely on physical testing of hardware prototypes. The approach in this study utilized the state-of-the-art techniques of 13C and 1H nuclear magnetic resonance spectroscopy and the advanced distillation curve to characterize fuel composition and volatility, respectively. The ignition quality was quantified by the derived cetane number. Two well-characterized, ultra-low-sulfur #2 diesel reference fuels produced from refinery streams were used as target fuels: a 2007 emissions certification fuel and a Coordinating Research Council (CRC) Fuels for Advanced Combustion Engines (FACE) diesel fuel. A surrogate was created for each target fuel by blending eight pure compounds. The known carbon bond types within the pure compounds, as well as models for the ignition qualities and volatilities of their mixtures, were used in a multiproperty regression algorithm to determine optimal surrogate formulations. The predicted and measured surrogate-fuel properties were quantitatively compared to the measured target-fuel properties, and good agreement was found.« less

Sulfur Tolerant Solid Oxide Fuel Cell for Coal Syngas Application: Experimental Study on Diverse Impurity Effects and Fundamental Modeling of Electrode Kinetics

NASA Astrophysics Data System (ADS)

Gong, Mingyang

With demand over green energy economy, fuel cells have been developed as a promising energy conversion technology with higher efficiency and less emission. Solid oxide fuel cells (SOFC) can utilize various fuels in addition to hydrogen including coal derived sygas, and thus are favored for future power generation due to dependence on coal in electrical industry. However impurities such as sulfur and phosphorous present in coal syngas in parts per million (p.p.m.) levels can severely poison SOFC anode typically made of Ni/yttria-stabilized-zirconia (Ni-YSZ) and limit SOFC applicability in economically derivable fuels. The focus of the research is to develop strategy for application of high performance SOFC in coal syngas with tolerance against trace impurities such as H2S and PH3. To realize the research goal, the experimental study on sulfur tolerant anode materials and examination of various fuel impurity effects on SOFC anode are combined with electrochemical modeling of SOFC cathode kinetics in order to benefit design of direct-coal-syngas SOFC. Tolerant strategy for SOFC anode against sulfur is studied by using alternative materials which can both mitigate sulfur poisoning and function as active anode components. The Ni-YSZ anode was modified by incorporation of lanthanum doped ceria (LDC) nano-coatings via impregnation. Cell test in coal syngas containing 20 ppm H2S indicated the impregnated LDC coatings inhibited on-set of sulfur poisoning by over 10hrs. Cell analysis via X-ray photon spectroscopy (XPS), X-ray diffraction (XRD) and electrochemistry revealed LDC coatings reacted with H2S via chemisorptions, resulting in less sulfur blocking triple--phase-boundary and minimized performance loss. Meanwhile the effects of PH3 impurity on SOFC anode is examined by using Ni-YSZ anode supported SOFC. Degradation of cell is found to be irreversible due to adsorption of PH3 on TPB and further reaction with Ni to form secondary phases with low melting point. The feasibility of mixed ionic and electronic conductive (MIEC) metal oxides with perovskite structure (ABO3) as alternative ceramic SOFC anodes in coal syngas has been examined by PH3 exposure test. The study found although perovskite anodes can be generally more tolerant against H2S, further examination on PH3 tolerance is indispensable before their extensive application in coal syngas. On the theoretical end it is this research's initiative that oxygen reduction reaction at mixed ionic and electronic conductive (MIEC) cathode is a key factor controlling SOFC performance at intermediate temperature (700˜850°C). It is generally recognized that the overall charge-transfer process could occur through both surface pathway at triple-phase boundary (3PB) and bulk pathway at electrolyte/cathode interface (2PB). A modified one-dimensional model is thus developed to predict defect evolution of MIEC cathode under overpotential by incorporating multi-step charge-transfer into the bi-pathway continuum model. Finite volume control method is applied to obtain solutions for the model. The simulation predicted kinetics transition from 3PB control to 2PB control as cathodic overpotential stepping from -0.2V to -0.4V, depending on the material properties parameters. Meanwhile significant activation behavior of the MIEC electrode was also observed as indicated by extension of reaction region towards gas-exposed oxide surface. This model addressed contribution from electrochemical-controlled rate-limiting steps (RLSs) on the reduction kinetics, and identified the role played by multiple material property parameters such as surface oxygen ion concentration and bulk vacancy concentration on the kinetics transition. Combined academic knowledge gained through experimental investigation and theoretical simulation in this research would benefit the future design, development and application strategy of high-performance SOFC in coal syngas fuels.

Solar fuels photoanode materials discovery by integrating high-throughput theory and experiment

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

Yan, Qimin; Yu, Jie; Suram, Santosh K.

The limited number of known low-band-gap photoelectrocatalytic materials poses a significant challenge for the generation of chemical fuels from sunlight. Here, using high-throughput ab initio theory with experiments in an integrated workflow, we find eight ternary vanadate oxide photoanodes in the target band-gap range (1.2-2.8 eV). Detailed analysis of these vanadate compounds reveals the key role of VO 4 structural motifs and electronic band-edge character in efficient photoanodes, initiating a genome for such materials and paving the way for a broadly applicable high-throughput-discovery and materials-by-design feedback loop. Considerably expanding the number of known photoelectrocatalysts for water oxidation, our study establishesmore » ternary metal vanadates as a prolific class of photoanodematerials for generation of chemical fuels from sunlight and demonstrates our high-throughput theory-experiment pipeline as a prolific approach to materials discovery.« less

21 CFR 82.3 - Definitions.

Code of Federal Regulations, 2011 CFR

2011-04-01

...) The term mixed oxides means the sum of the quantities of aluminum, iron, calcium, and magnesium (in whatever combination they may exist in a coal-tar color) calculated as aluminum trioxide, ferric oxide, calcium oxide, and magnesium oxide. (k)-(m) [Reserved] (n) The term externally applied drugs and cosmetics...

Photochemically deposited nano-Ag/sol-gel TiO2-In2O3 mixed oxide mesoporous-assembled nanocrystals for photocatalytic dye degradation.

PubMed

Sreethawong, Thammanoon; Ngamsinlapasathian, Supachai; Yoshikawa, Susumu

2014-05-01

This work focused on the improvement of the photocatalytic activity for Congo Red (CR) azo dye degradation of mesoporous-assembled 0.95 TiO2-0.05 In2O3 mixed oxide photocatalyst (with a TiO2-to-In2O3 molar ratio of 0.95:0.05) by loading with Ag nanoparticles. The mesoporous-assembled 0.95TiO2-0.05In2O3 mixed oxide photocatalyst was synthesized by a hydrolytic sol-gel method with the aid of a structure-directing surfactant, prior to loading with various Ag contents (0.5-2 wt.%) by a photochemical deposition method. The optimum Ag loading content was found to be 1.5 wt.%, exhibiting a great increase in photocatalytic CR dye degradation activity. The 1.5 wt.% Ag-loaded 0.95TiO2-0.05In2O3 mixed oxide photocatalyst was further applied for the CR dye degradation in the presence of water hardness. Different types (Ca2+ and Ca2+ -Mg2+ mixture) and concentrations (200 and 500 mg/l) of water hardness were investigated. The results showed that the water hardness reduced the photocatalytic CR dye degradation activity, particularly for the extremely hard water with 500 mg/l of Ca2+ -Mg2+ mixture. The adjustment of initial solution pH of the CR dye-containing hard water to an appropriate value was found to improve the photocatalytic CR dye degradation activity under the identical reaction conditions. Copyright © 2014 Elsevier Inc. All rights reserved.

Metaloxide--ZrO2 catalysts for the esterification and transesterification of free fatty acids and triglycerides to obtain bio-diesel

DOEpatents

Kim, Manhoe; Salley, Steven O.; Ng, K. Y. Simon

2016-09-06

Mixed metal oxide catalysts (ZnO, CeO, La2O3, NiO, Al203, SiO2, TiO2, Nd2O3, Yb2O3, or any combination of these) supported on zirconia (ZrO2) or hydrous zirconia are provided. These mixed metal oxide catalysts can be prepared via coprecipitation, impregnation, or sol-gel methods from metal salt precursors with/without a Zirconium salt precursor. Metal oxides/ZrO2 catalyzes both esterification and transesterification of oil containing free fatty acids in one batch or in single stage. In particular, these mixed metal oxides supported or added on zirconium oxide exhibit good activity and selectivity for esterification and transesterification. The low acid strength of this catalyst can avoid undesirable side reaction such as alcohol dehydration or cracking of fatty acids. Metal oxides/ZrO2 catalysts are not sensitive to any water generated from esterification. Thus, esterification does not require a water free condition or the presence of excess methanol to occur when using the mixed metal oxide catalyst. The FAME yield obtained with metal oxides/ZrO2 is higher than that obtained with homogeneous sulfuric acid catalyst. Metal oxides/ZrO2 catalasts can be prepared as strong pellets and in various shapes for use directly in a flow reactor. Furthermore, the pellet has a strong resistance toward dissolution to aqueous or oil phases.

Desulfurization of Hydrocarbon Fuels at Ambient Conditions Using Supported Silver Oxide-Titania Sorbents

DTIC Science & Technology

2010-12-13

required as a dopant in a two- component active metal matrix to generate surface defects. The use of high surface area supports has been demonstrated...B. S., Burton, J. F., Cullo, A. L. Supported cobalt sulfate desulfurization catalyst. US Patent No 74-483982 [110] Sivaraj, C., Contescu, C

Zeolites for CO2-CO-O2 Separation to Obtain CO2-Neutral Fuels.

PubMed

Perez-Carbajo, Julio; Matito-Martos, Ismael; Balestra, Salvador R G; Tsampas, Mihalis N; van de Sanden, Mauritius C M; Delgado, José A; Águeda, V Ismael; Merkling, Patrick J; Calero, Sofia

2018-06-20

Carbon dioxide release has become an important global issue due to the significant and continuous rise in atmospheric CO 2 concentrations and the depletion of carbon-based energy resources. Plasmolysis is a very energy-efficient process for reintroducing CO 2 into energy and chemical cycles by converting CO 2 into CO and O 2 utilizing renewable electricity. The bottleneck of the process is that CO remains mixed with O 2 and residual CO 2 . Therefore, efficient gas separation and recuperation are essential for obtaining pure CO, which, via water gas shift and Fischer-Tropsch reactions, can lead to the production of CO 2 -neutral fuels. The idea behind this work is to provide a separation mechanism based on zeolites to optimize the separation of carbon dioxide, carbon monoxide, and oxygen under mild operational conditions. To achieve this goal, we performed a thorough screening of available zeolites based on topology and adsorptive properties using molecular simulation and ideal adsorption solution theory. FAU, BRE, and MTW are identified as suitable topologies for these separation processes. FAU can be used for the separation of carbon dioxide from carbon monoxide and oxygen and BRE or MTW for the separation of carbon monoxide from oxygen. These results are reinforced by pressure swing adsorption simulations at room temperature combining adsorption columns with pure silica FAU zeolite and zeolite BRE at a Si/Al ratio of 3. These zeolites have the added advantage of being commercially available.

Process for the manufacture of an attrition resistant sorbent used for gas desulfurization

DOEpatents

Venkataramani, Venkat S.; Ayala, Raul E.

2003-09-16

This process produces a sorbent for use in desulfurization of coal gas. A zinc titanate compound and a metal oxide are mixed by milling the compounds in an aqueous medium, the resulting mixture is dried and then calcined, crushed, sleved and formed into pellets for use in a moving-bed reactor. Metal oxides suitable for use as an additive in this process include: magnesium oxide, magnesium oxide plus molybdenum oxide, calcium oxide, yttrium oxide, hafnium oxide, zirconium oxide, cupric oxide, and tin oxide. The resulting sorbent has a percentage of the original zinc or titanium ions substituted for the oxide metal of the chosen additive.

All-solid-state Z-scheme system arrays of Fe2V4O13/RGO/CdS for visible light-driving photocatalytic CO2 reduction into renewable hydrocarbon fuel.

PubMed

Li, Ping; Zhou, Yong; Li, Haijin; Xu, Qinfeng; Meng, Xianguang; Meng, Xiangguang; Wang, Xiaoyong; Xiao, Min; Zou, Zhigang

2015-01-14

An all-solid-state Z-scheme system array consisting of an Fe2V4O13 nanoribbon (NR)/reduced graphene oxide (RGO)/CdS nanoparticle grown on the stainless-steel mesh was rationally designed for photoconversion of gaseous CO2 into renewable hydrocarbon fuels (methane: CH4).

Air pollution from aircraft. [jet exhaust - aircraft fuels/combustion efficiency

NASA Technical Reports Server (NTRS)

Heywood, J. B.; Chigier, N. A.

1975-01-01

A model which predicts nitric oxide and carbon monoxide emissions from a swirl can modular combustor is discussed. A detailed analysis of the turbulent fuel-air mixing process in the swirl can module wake region is reviewed. Hot wire anemometry was employed, and gas sampling analysis of fuel combustion emissions were performed.

Developing a regional canopy fuels assessment strategy using multi-scale lidar

USGS Publications Warehouse

Peterson, Birgit E.; Nelson, Kurtis

2011-01-01

Accurate assessments of canopy fuels are needed by fire scientists to understand fire behavior and to predict future fire occurrence. A key descriptor for canopy fuels is canopy bulk density (CBD). CBD is closely linked to the structure of the canopy; therefore, lidar measurements are particularly well suited to assessments of CBD. LANDFIRE scientists are exploring methods to integrate airborne and spaceborne lidar datasets into a national mapping effort. In this study, airborne lidar, spaceborne lidar, and field data are used to map CBD in the Yukon Flats Ecoregion, with the airborne lidar serving as a bridge between the field data and the spaceborne observations. The field-based CBD was positively correlated with airborne lidar observations (R2=0.78). Mapped values of CBD using the airborne lidar dataset were significantly correlated with spaceborne lidar observations when analyzed by forest type (R2=0.62, evergreen and R2=0.71, mixed). Though continued research is necessary to validate these results, they do support the feasibility of airborne and, most importantly, spaceborne lidar data for canopy fuels assessment.

Method for reduction of the NOX emissions in marine auxiliary diesel engine using the fuel mixtures containing biodiesel using HCCI combustion.

PubMed

Puškár, Michal; Kopas, Melichar; Puškár, Dušan; Lumnitzer, Ján; Faltinová, Eva

2018-02-01

The marine auxiliary diesel engines installed in the large transoceanic ships are used in order to generate the electricity but at the same time these engines are able to produce a significant amount of the harmful exhaust gas emissions. Therefore the International Maritime Organisation (IMO) concluded an agreement, which has to control generating of gaseous emissions in maritime transport. From this reason started to be used some of the alternative fuels in this branch. There was performed a study, which investigated emissions of the auxiliary marine diesel engine during application of the experimental fuels. The different testing fuels were created using the ratios 0%, 50%, 80% and 100% between the biodiesel and the ULSDF (Ultra Low Sulphur Diesel Fuel). The experimental measurements were performed at the different engine loading levels and various engine speeds in order to investigate an influence of the mixed fuels on the engine operational characteristics. Copyright © 2017 Elsevier Ltd. All rights reserved.

Indoor air pollution from unprocessed solid fuels in developing countries.

PubMed

Kaplan, Charlotte

2010-01-01

Approximately half of the world's population relies on biomass (primarily wood and agricultural residues) or coal fuels (collectively termed solid fuels) for heating, lighting, and cooking. The incomplete combustion of such materials releases byproducts with well-known adverse health effects, hence increasing the risk of many diseases and death. Among these conditions are acute respiratory infections, chronic obstructive pulmonary disease, heart disease, stroke, lung cancer, cataracts and blindness, tuberculosis, asthma, and adverse pregnancy outcomes. The International Agency for Research on Cancer has classified the indoor combustion of coal emissions as Group 1, a known carcinogen to humans. Indoor air pollution exposure is greatest in individuals who live in rural developing countries. Interventions have been limited and show only mixed results. To reduce the morbidity and mortality from indoor air pollution, countermeasures have to be developed that are practical, efficient, sustainable, and economical with involvement from the government, the commercial sector, and individuals. This review focuses on the contribution of solid fuels to indoor air pollution.

Chemical-Looping Combustion and Gasification of Coals and Oxygen Carrier Development: A Brief Review

DOE PAGES

Wang, Ping; Means, Nicholas; Shekhawat, Dushyant; ...

2015-09-24

Chemical-looping technology is one of the promising CO 2 capture technologies. It generates a CO 2 enriched flue gas, which will greatly benefit CO 2 capture, utilization or sequestration. Both chemical-looping combustion (CLC) and chemical-looping gasification (CLG) have the potential to be used to generate power, chemicals, and liquid fuels. Chemical-looping is an oxygen transporting process using oxygen carriers. Recently, attention has focused on solid fuels such as coal. Coal chemical-looping reactions are more complicated than gaseous fuels due to coal properties (like mineral matter) and the complex reaction pathways involving solid fuels. The mineral matter/ash and sulfur in coalmore » may affect the activity of oxygen carriers. Oxygen carriers are the key issue in chemical-looping processes. Thermogravimetric analysis (TGA) has been widely used for the development of oxygen carriers (e.g., oxide reactivity). Two proposed processes for the CLC of solid fuels are in-situ Gasification Chemical-Looping Combustion (iG-CLC) and Chemical-Looping with Oxygen Uncoupling (CLOU). The objectives of this review are to discuss various chemical-looping processes with coal, summarize TGA applications in oxygen carrier development, and outline the major challenges associated with coal chemical-looping in iG-CLC and CLOU.« less

75 FR 59617 - Notification of Arrival in U.S. Ports; Certain Dangerous Cargoes

Federal Register 2010, 2011, 2012, 2013, 2014

2010-09-28

... only included residue quantities of bulk ammonium nitrate or ammonium nitrate fertilizer that remained... ammonium nitrate and propylene oxide cargoes transported on U.S. waters. After consultation with CTAC and...) Propylene oxide, alone or mixed with ethylene oxide. (9) The following bulk solids: (i) Ammonium nitrate...

Mixed waste paper to ethanol fuel. A technology, market, and economic assessment for Washington

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

Not Available

1991-01-01

The objectives of this study were to evaluate the use of mixed waste paper for the production of ethanol fuels and to review the available conversion technologies, and assess developmental status, current and future cost of production and economics, and the market potential. This report is based on the results of literature reviews, telephone conversations, and interviews. Mixed waste paper samples from residential and commercial recycling programs and pulp mill sludge provided by Weyerhauser were analyzed to determine the potential ethanol yields. The markets for ethanol fuel and the economics of converting paper into ethanol were investigated.

Design of a fuel element for a lead-cooled fast reactor

NASA Astrophysics Data System (ADS)

Sobolev, V.; Malambu, E.; Abderrahim, H. Aït

2009-03-01

The options of a lead-cooled fast reactor (LFR) of the fourth generation (GEN-IV) reactor with the electric power of 600 MW are investigated in the ELSY Project. The fuel selection, design and optimization are important steps of the project. Three types of fuel are considered as candidates: highly enriched Pu-U mixed oxide (MOX) fuel for the first core, the MOX containing between 2.5% and 5.0% of the minor actinides (MA) for next core and Pu-U-MA nitride fuel as an advanced option. Reference fuel rods with claddings made of T91 ferrite-martensitic steel and two alternative fuel assembly designs (one uses a closed hexagonal wrapper and the other is an open square variant without wrapper) have been assessed. This study focuses on the core variant with the closed hexagonal fuel assemblies. Based on the neutronic parameters provided by Monte-Carlo modeling with MCNP5 and ALEPH codes, simulations have been carried out to assess the long-term thermal-mechanical behaviour of the hottest fuel rods. A modified version of the fuel performance code FEMAXI-SCK-1, adapted for fast neutron spectrum, new fuels, cladding materials and coolant, was utilized for these calculations. The obtained results show that the fuel rods can withstand more than four effective full power years under the normal operation conditions without pellet-cladding mechanical interaction (PCMI). In a variant with solid fuel pellets, a mild PCMI can appear during the fifth year, however, it remains at an acceptable level up to the end of operation when the peak fuel pellet burnup ∼80 MW d kg-1 of heavy metal (HM) and the maximum clad damage of about 82 displacements per atom (dpa) are reached. Annular pellets permit to delay PCMI for about 1 year. Based on the results of this simulation, further steps are envisioned for the optimization of the fuel rod design, aiming at achieving the fuel burnup of 100 MW d kg-1 of HM.

A review of tin oxide-based catalytic systems: Preparation, characterization and catalytic behavior

NASA Technical Reports Server (NTRS)

Hoflund, Gar B.

1987-01-01

This paper reviews the important aspects of the preparation, characterization and catalytic behavior of tin oxide-based catalytic systems including doped tin oxide, mixed oxides which contain tin oxide, Pt supported on tin oxide and Pt/Sn supported on alumina. These systems have a broad range of applications and are continually increasing in importance. However, due to their complex nature, much remains to be understood concerning how they function catalytically.

Preparation of extrusions of bulk mixed oxide compounds with high macroporosity and mechanical strength

DOEpatents

Flytzani-Stephanopoulos, Maria; Jothimurugesan, Kandaswami

1990-01-01

A simple and effective method for producing bulk single and mixed oxide absorbents and catalysts is disclosed. The method yields bulk single oxide and mixed oxide absorbent and catalyst materials which combine a high macroporosity with relatively high surface area and good mechanical strength. The materials are prepared in a pellet form using as starting compounds, calcined powders of the desired composition and physical properties these powders are crushed to broad particle size distribution, and, optionally may be combined with an inorganic clay binder. The necessary amount of water is added to form a paste which is extruded, dried and heat treated to yield and desired extrudate strength. The physical properties of the extruded materials (density, macroporosity and surface area) are substantially the same as the constituent powder is the temperature of the heat treatment of the extrudates is approximately the same as the calcination temperature of the powder. If the former is substantially higher than the latter, the surface area decreases, but the macroporosity of the extrusions remains essentially constant.

How to stabilize highly active Cu + cations in a mixed-oxide catalyst

DOE PAGES

Mudiyanselage, Kumudu; Luo, Si; Kim, Hyun You; ...

2015-09-12

Mixed-metal oxides exhibit novel properties that are not present in their isolated constituent metal oxides and play a significant role in heterogeneous catalysis. In this study, a titanium-copper mixed-oxide (TiCuO x) film has been synthesized on Cu(111) and characterized by complementary experimental and theoretical methods. At sub-monolayer coverages of titanium, a Cu 2O-like phase coexists with TiCuO x and TiO x domains. When the mixed-oxide surface is exposed at elevated temperatures (600–650 K) to oxygen, the formation of a well-ordered TiCuO x film occurs. Stepwise oxidation of TiCuO x shows that the formation of the mixed-oxide is faster than thatmore » of pure Cu 2O. As the Ti coverage increases, Ti-rich islands (TiO x) form. The adsorption of CO has been used to probe the exposed surface sites on the TiO x–CuO x system, indicating the existence of a new Cu + adsorption site that is not present on Cu 2O/Cu(111). Adsorption of CO on Cu + sites of TiCuO x is thermally more stable than on Cu(111), Cu 2O/Cu(111) or TiO 2(110). The Cu + sites in TiCuO x domains are stable under both reducing and oxidizing conditions whereas the Cu 2O domains present on sub-monolayer loads of Ti can be reduced or oxidized under mild conditions. Furthermore, the results presented here demonstrate novel properties of TiCuO x films, which are not present on Cu(111), Cu 2O/Cu(111), or TiO 2(110), and highlight the importance of the preparation and characterization of well-defined mixed-metal oxides in order to understand fundamental processes that could guide the design of new materials.« less

Magnetic effect on oxide-scale growth of Fe-5Cr alloy

NASA Astrophysics Data System (ADS)

Zhou, C. H.; Li, X. W.; Wang, S. H.; Ma, H. T.

2018-01-01

The oxidation behaviour of Fe-5Cr alloy was investigated at 650°C in the presence of magnetic field. Results indicated that the oxide scales were both consisted of an outer Fe-oxide scale and an inner mixed-oxide scale in the presence or absence of magnetic field. The oxide-scale growth of Fe-5Cr alloy, gained by measuring the oxide-scale thickness, was verified to follow parabolic lawyer. And the oxidation kinetics showed that the applied magnetic field retarded the oxide-scale growth of Fe-5Cr alloy.

Development of Impregnated Agglomerate Pelletization (IAP) process for fabrication of (Th,U)O 2 mixed oxide pellets

NASA Astrophysics Data System (ADS)

Khot, P. M.; Nehete, Y. G.; Fulzele, A. K.; Baghra, Chetan; Mishra, A. K.; Afzal, Mohd.; Panakkal, J. P.; Kamath, H. S.

2012-01-01

Impregnated Agglomerate Pelletization (IAP) technique has been developed at Advanced Fuel Fabrication Facility (AFFF), BARC, Tarapur, for manufacturing (Th, 233U)O 2 mixed oxide fuel pellets, which are remotely fabricated in hot cell or shielded glove box facilities to reduce man-rem problem associated with 232U daughter radionuclides. This technique is being investigated to fabricate the fuel for Indian Advanced Heavy Water Reactor (AHWR). In the IAP process, ThO 2 is converted to free flowing spheroids by powder extrusion route in an unshielded facility which are then coated with uranyl nitrate solution in a shielded facility. The dried coated agglomerate is finally compacted and then sintered in oxidizing/reducing atmosphere to obtain high density (Th,U)O 2 pellets. In this study, fabrication of (Th,U)O 2 mixed oxide pellets containing 3-5 wt.% UO 2 was carried out by IAP process. The pellets obtained were characterized using optical microscopy, XRD and alpha autoradiography. The results obtained were compared with the results for the pellets fabricated by other routes such as Coated Agglomerate Pelletization (CAP) and Powder Oxide Pelletization (POP) route.

Preparation and characterization of vanadia-titania mixed oxide for immobilization of Serratia rubidaea CCT 5732 and Klebsiella marcescens bacteria

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

Saragiotto Colpini, Leda Maria; Correia Goncalves, Regina A.; Goncalves, Jose Eduardo

2008-08-04

Vanadia-titania mixed oxide was synthesized by sol-gel method and characterized by several techniques. Texturally, it is formed by mesopores and presents high-specific surface area and controlled porosity. Scanning electron microscopy revealed that vanadium is homogeneously distributed in the material. Structurally, it was possible to identify characteristic V=O stretching bands by IR. The analysis of X-ray diffraction showed that the material, particularly vanadium, is highly dispersed. Application experiments were carried out through the immobilization of Serratia rubidae CCT 5732 and Klebsiella marcescens bacteria by adsorption on the surface of mixed oxide. The micrographies revealed that the bacteria were adsorbed on themore » entire support, with average surface densities of 8.55 x 10{sup 11} cells/m{sup 2} (Serratia rubidae CCT 5732) and 3.40 x 10{sup 11} cells/m{sup 2} (K. marcescens)« less

How to stabilize highly active Cu + cations in a mixed-oxide catalyst

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

Mudiyanselage, Kumudu; Luo, Si; Kim, Hyun You

Mixed-metal oxides exhibit novel properties that are not present in their isolated constituent metal oxides and play a significant role in heterogeneous catalysis. In this study, a titanium-copper mixed-oxide (TiCuO x) film has been synthesized on Cu(111) and characterized by complementary experimental and theoretical methods. At sub-monolayer coverages of titanium, a Cu 2O-like phase coexists with TiCuO x and TiO x domains. When the mixed-oxide surface is exposed at elevated temperatures (600–650 K) to oxygen, the formation of a well-ordered TiCuO x film occurs. Stepwise oxidation of TiCuO x shows that the formation of the mixed-oxide is faster than thatmore » of pure Cu 2O. As the Ti coverage increases, Ti-rich islands (TiO x) form. The adsorption of CO has been used to probe the exposed surface sites on the TiO x–CuO x system, indicating the existence of a new Cu + adsorption site that is not present on Cu 2O/Cu(111). Adsorption of CO on Cu + sites of TiCuO x is thermally more stable than on Cu(111), Cu 2O/Cu(111) or TiO 2(110). The Cu + sites in TiCuO x domains are stable under both reducing and oxidizing conditions whereas the Cu 2O domains present on sub-monolayer loads of Ti can be reduced or oxidized under mild conditions. Furthermore, the results presented here demonstrate novel properties of TiCuO x films, which are not present on Cu(111), Cu 2O/Cu(111), or TiO 2(110), and highlight the importance of the preparation and characterization of well-defined mixed-metal oxides in order to understand fundamental processes that could guide the design of new materials.« less

Predictions of fire behavior and resistance to control: for use with photo series for the sierra mixed conifer type and the sierra true fir type.

Treesearch

Franklin R. Ward; David V. Sandberg

1981-01-01

This publication presents tables on the behavior of fire and the resistance: of fuels to control. The information is to be used with the photos in the publication, "Photo Series for Quantifying Forest Residues in the Sierra Mixed Conifer Type, Sierra True Fir Type" (Maxwell, Wayne G.; Ward, Franklin R. 1979. Gen. Tech. Rep. PNW-GTR-095. Portland, OR: U.S....

Nitrous oxide emissions from a coal mine land reclaimed with stabilized manure

USDA-ARS?s Scientific Manuscript database

Mined land restoration using manure-based amendments may create soil conditions suitable for nitrous oxide production and emission. We measured nitrous oxide emissions from mine soil amended with composted poultry manure (Comp) or poultry manure mixed with paper mill sludge (Man+PMS) at C/N ratios o...

Metal oxide films on metal

DOEpatents

Wu, Xin D.; Tiwari, Prabhat

1995-01-01

A structure including a thin film of a conductive alkaline earth metal oxide selected from the group consisting of strontium ruthenium trioxide, calcium ruthenium trioxide, barium ruthenium trioxide, lanthanum-strontium cobalt oxide or mixed alkaline earth ruthenium trioxides thereof upon a thin film of a noble metal such as platinum is provided.

Dynamics and Thermochemistry of Oxygen Uptake by a Mixed Ce-Pr Oxide

NASA Astrophysics Data System (ADS)

Sinev, M. Yu.; Fattakhova, Z. T.; Bychkov, V. Yu.; Lomonosov, V. I.; Gordienko, Yu. A.

2018-03-01

The dynamics of oxygen uptake by mixed Ce0.55Pr0.45O2-x oxide is studied in a pulsed oxygen supply mode using in situ high-temperature heat flow differential scanning calorimetry. It is stated that the oxidation proceeds in two regimes: a fast one at the beginning of the oxidation process, and a slow one, which is controlled by the diffusion of oxygen through the bulk of the solid at the later stages of the process. Analysis of the shape of calorimetric profiles reveals some processes, accompanied by heat release, that occur in the sample in the absence of oxygen in the gas phase. These could be due to both the redistribution of consumed oxygen in the oxide lattice and the lattice relaxation associated with the transformation of phases with different arrangements of oxygen vacancies in them. The heat effect (which diminishes from 60 to 40 kJ/mol in the course of oxygen uptake) associated with the oxidation of the reduced form of mixed Ce-Pr oxide, corresponds to the oxidation of praseodymium ions from (3+) to (4+).

Combustion engine. [for air pollution control

NASA Technical Reports Server (NTRS)

Houseman, J. (Inventor)

1977-01-01

An arrangement for an internal combustion engine is provided in which one or more of the cylinders of the engine are used for generating hydrogen rich gases from hydrocarbon fuels, which gases are then mixed with air and injected into the remaining cylinders to be used as fuel. When heavy load conditions are encountered, hydrocarbon fuel may be mixed with the hydrogen rich gases and air and the mixture is then injected into the remaining cylinders as fuel.

Fuel system for diesel engine with multi-stage heated

NASA Astrophysics Data System (ADS)

Ryzhov, Yu N.; Kuznetsov, Yu A.; Kolomeichenko, A. V.; Kuznetsov, I. S.; Solovyev, R. Yu; Sharifullin, S. N.

2017-09-01

The article describes a fuel system of a diesel engine with a construction tractor multistage heating, allowing the use of pure rapeseed oil as a diesel engine fuel. The paper identified the kinematic viscosity depending on the temperature and composition of the mixed fuel, supplemented by the existing recommendations on the use of mixed fuels based on vegetable oils and developed the device allowing use as fuel for diesel engines of biofuels based on vegetable oils.

Advanced materials and design for low temperature SOFCs

DOEpatents

Wachsman, Eric D.; Yoon, Heesung; Lee, Kang Taek; Camaratta, Matthew; Ahn, Jin Soo

2016-05-17

Embodiments of the invention are directed to SOFC with a multilayer structure comprising a porous ceramic cathode, optionally a cathodic triple phase boundary layer, a bilayer electrolyte comprising a cerium oxide comprising layer and a bismuth oxide comprising layer, an anion functional layer, and a porous ceramic anode with electrical interconnects, wherein the SOFC displays a very high power density at temperatures below 700.degree. C. with hydrogen or hydrocarbon fuels. The low temperature conversion of chemical energy to electrical energy allows the fabrication of the fuel cells using stainless steel or other metal alloys rather than ceramic conductive oxides as the interconnects.

Removal of Hazardous Pollutants from Wastewaters: Applications of TiO 2 -SiO 2 Mixed Oxide Materials

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

Rasalingam, Shivatharsiny; Peng, Rui; Koodali, Ranjit T.

The direct release of untreated wastewaters from various industries and households results in the release of toxic pollutants to the aquatic environment. Advanced oxidation processes (AOP) have gained wide attention owing to the prospect of complete mineralization of nonbiodegradable organic substances to environmentally innocuous products by chemical oxidation. In particular, heterogeneous photocatalysis has been demonstrated to have tremendous promise in water purification and treatment of several pollutant materials that include naturally occurring toxins, pesticides, and other deleterious contaminants. In this work, we have reviewed the different removal techniques that have been employed for water purification. In particular, the application ofmore » TiO 2 -SiO 2 binary mixed oxide materials for wastewater treatment is explained herein, and it is evident from the literature survey that these mixed oxide materials have enhanced abilities to remove a wide variety of pollutants.« less

Removal of Hazardous Pollutants from Wastewaters: Applications of TiO 2 -SiO 2 Mixed Oxide Materials

DOE PAGES

Rasalingam, Shivatharsiny; Peng, Rui; Koodali, Ranjit T.

2014-01-01

The direct release of untreated wastewaters from various industries and households results in the release of toxic pollutants to the aquatic environment. Advanced oxidation processes (AOP) have gained wide attention owing to the prospect of complete mineralization of nonbiodegradable organic substances to environmentally innocuous products by chemical oxidation. In particular, heterogeneous photocatalysis has been demonstrated to have tremendous promise in water purification and treatment of several pollutant materials that include naturally occurring toxins, pesticides, and other deleterious contaminants. In this work, we have reviewed the different removal techniques that have been employed for water purification. In particular, the application ofmore » TiO 2 -SiO 2 binary mixed oxide materials for wastewater treatment is explained herein, and it is evident from the literature survey that these mixed oxide materials have enhanced abilities to remove a wide variety of pollutants.« less

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

Not Available

Exhaust emission and fuel economy tests (1975 Federal Test Procedure) were performed on a 1972 Plymouth Cricket equipped with a turbocharged four-cylinder stratified charge engine (Texaco Controlled Combustion System) and an exhaust catalyst. The tests were conducted for three different fuels; unleaded gasoline, number 2 diesel fuel, and a wide boiling range distillate fuel supplied by Texaco. Average hydrocarbon, carbon monoxide, and nitrogen oxide emissions (without throttling) obtained with diesel fuel were 0.89, 1.88, and 1.91 g/mi, respectively. Hydrocarbon, carbon monoxide and nitrogen oxide levels of 0.88, 0.97, and 1.61 g/mi, respectively, were obtained with the wide boiling range fuel;more » and emission levels of 1.37, 0.50, and 1.84 g/mi, respectively, were obtained with the unleaded gasoline. Average fuel economies for the diesel fuel, wide boiling range fuel, and unleaded gasoline were 30.8, 29.7, and 28.4 mi/gal., respectively. Thus, the turbocharged catalyst equipped stratified charge engine demonstrated the ability to meet 1975 interim levels on three different fuels with high fuel economy. Compliance with the 1977 hydrocarbon standard of 0.41 g/mi will require additional control devices or basic combustion improvement.« less

Rotating Detonation Combustion: A Computational Study for Stationary Power Generation

NASA Astrophysics Data System (ADS)

Escobar, Sergio

The increased availability of gaseous fossil fuels in The US has led to the substantial growth of stationary Gas Turbine (GT) usage for electrical power generation. In fact, from 2013 to 2104, out of the 11 Tera Watts-hour per day produced from fossil fuels, approximately 27% was generated through the combustion of natural gas in stationary GT. The thermodynamic efficiency for simple-cycle GT has increased from 20% to 40% during the last six decades, mainly due to research and development in the fields of combustion science, material science and machine design. However, additional improvements have become more costly and more difficult to obtain as technology is further refined. An alternative to improve GT thermal efficiency is the implementation of a combustion regime leading to pressure-gain; rather than pressure loss across the combustor. One concept being considered for such purpose is Rotating Detonation Combustion (RDC). RDC refers to a combustion regime in which a detonation wave propagates continuously in the azimuthal direction of a cylindrical annular chamber. In RDC, the fuel and oxidizer, injected from separated streams, are mixed near the injection plane and are then consumed by the detonation front traveling inside the annular gap of the combustion chamber. The detonation products then expand in the azimuthal and axial direction away from the detonation front and exit through the combustion chamber outlet. In the present study Computational Fluid Dynamics (CFD) is used to predict the performance of Rotating Detonation Combustion (RDC) at operating conditions relevant to GT applications. As part of this study, a modeling strategy for RDC simulations was developed. The validation of the model was performed using benchmark cases with different levels of complexity. First, 2D simulations of non-reactive shock tube and detonation tubes were performed. The numerical predictions that were obtained using different modeling parameters were compared with analytical solutions in order to quantify the numerical error in the simulations. Additionally, experimental data from laboratory scale combustors was used to validate 2D and 3D numerical simulations. The effects of different modeling parameters on RDC predictions was also studied. The validated simulation strategy was then used to assess the performance of RDC for different combustion chamber geometries and operating conditions relevant to GT applications. As a result, the limiting conditions for which continuous detonation and pressure gain combustion can be achieved were predicted and the effect of operating conditions on flow structures and RDC performance was assessed. The modeling strategy and the results from this study could be further used to design more efficient and more stable RDC systems.

Impact of the cation distribution homogeneity on the americium oxidation state in the U0.54Pu0.45Am0.01O2-x mixed oxide

NASA Astrophysics Data System (ADS)

Vauchy, Romain; Robisson, Anne-Charlotte; Martin, Philippe M.; Belin, Renaud C.; Aufore, Laurence; Scheinost, Andreas C.; Hodaj, Fiqiri

2015-01-01

The impact of the cation distribution homogeneity of the U0.54Pu0.45Am0.01O2-x mixed oxide on the americium oxidation state was studied by coupling X-ray diffraction (XRD), electron probe micro analysis (EPMA) and X-ray absorption spectroscopy (XAS). Oxygen-hypostoichiometric Am-bearing uranium-plutonium mixed oxide pellets were fabricated by two different co-milling based processes in order to obtain different cation distribution homogeneities. The americium was generated from β- decay of 241Pu. The XRD analysis of the obtained compounds did not reveal any structural difference between the samples. EPMA, however, revealed a high homogeneity in the cation distribution for one sample, and substantial heterogeneity of the U-Pu (so Am) distribution for the other. The difference in cation distribution was linked to a difference in Am chemistry as investigated by XAS, with Am being present at mixed +III/+IV oxidation state in the heterogeneous compound, whereas only Am(IV) was observed in the homogeneous compound. Previously reported discrepancies on Am oxidation states can hence be explained by cation distribution homogeneity effects.

Mathematical modeling of solid oxide fuel cells

NASA Technical Reports Server (NTRS)

Lu, Cheng-Yi; Maloney, Thomas M.

1988-01-01

Development of predictive techniques, with regard to cell behavior, under various operating conditions is needed to improve cell performance, increase energy density, reduce manufacturing cost, and to broaden utilization of various fuels. Such technology would be especially beneficial for the solid oxide fuel cells (SOFC) at it early demonstration stage. The development of computer models to calculate the temperature, CD, reactant distributions in the tubular and monolithic SOFCs. Results indicate that problems of nonuniform heat generation and fuel gas depletion in the tubular cell module, and of size limitions in the monolithic (MOD 0) design may be encountered during FC operation.

Solid state oxygen sensor

DOEpatents

Garzon, Fernando H.; Brosha, Eric L.

1997-01-01

A potentiometric oxygen sensor is formed having a logarithmic response to a differential oxygen concentration while operating as a Nernstian-type sensor. Very thin films of mixed conducting oxide materials form electrode services while permitting diffusional oxygen access to the interface between the zirconia electrolyte and the electrode. Diffusion of oxygen through the mixed oxide is not rate-limiting. Metal electrodes are not used so that morphological changes in the electrode structure do not occur during extended operation at elevated temperatures.

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

Kattel, Shyam; Liu, Ping; Chen, Jingguang G.

The chemical transformation of CO 2 not only mitigates the anthropogenic CO 2 emission into the Earth’s atmosphere but also produces carbon compounds that can be used as precursors for the production of chemicals and fuels. The activation and conversion of CO 2 can be achieved on multifunctional catalytic sites available at the metal/oxide interface by taking advantage of the synergy between the metal nanoparticles and oxide support. In this paper, we look at the recent progress in mechanistic studies of CO 2 hydrogenation to C1 (CO, CH 3OH, and CH 4) compounds on metal/oxide catalysts. On this basis, wemore » are able to provide a better understanding of the complex reaction network, grasp the capability of manipulating structure and combination of metal and oxide at the interface in tuning selectivity, and identify the key descriptors to control the activity and, in particular, the selectivity of catalysts. In conclusion, we also discuss challenges and future research opportunities for tuning the selective conversion of CO 2 on metal/oxide catalysts.« less

Nitric Oxide and Oxygen Air-Contamination Effects on Extinction Limits of Non-Premixed Hydrocarbon-Air Flames for a HIFiRE Scramjet

NASA Technical Reports Server (NTRS)

Pellett, Gerald L.; Dawson, Lucy C.; Vaden, Sarah N.; Wilson, Lloyd G.

2009-01-01

Unique nitric oxide (NO) and oxygen air-contamination effects on the extinction Flame Strength (FS) of non-premixed hydrocarbon (HC) vs. air flames are characterized for 7 gaseous HCs, using a new idealized 9.3 mm straight-tube Opposed Jet Burner (OJB) at 1 atm. FS represents a laminar strain-induced extinction limit based on cross-section-average air jet velocity, Uair, that sustains combustion of a counter jet of gaseous fuel just before extinction. Besides ethane, propane, butane, and propylene, the HCs include ethylene, methane, and a 64 mole-% ethylene / 36 % methane mixture, the writer s previously recommended gaseous surrogate fuel for HIFiRE scramjet tests. The HC vs. clean air part of the work is an extension of a May 2008 JANNAF paper that characterized surrogates for the HIFiRE project that should mimic the flameholding of reformed (thermally- or catalytically-cracked) endothermic JP-like fuels. The new FS data for 7 HCs vs. clean air are thus consolidated with the previously validated data, normalized to absolute (local) axial-input strain rates, and co-plotted on a dual kinetically dominated reactivity scale. Excellent agreement with the prior data is obtained for all 7 fuels. Detailed comparisons are also made with recently published (Univ. Va) numerical results for ethylene extinction. A 2009-revised ethylene kinetic model (Univ. Southern Cal) led to predicted limits within approx. 5 % (compared to 45 %, earlier) of this writer s 2008 (and present) ethylene FSs, and also with recent independent data (Univ. Va) obtained on a new OJB system. These +/- 5 % agreements, and a hoped-for "near-identically-performing" reduced kinetics model, would greatly enhance the capability for accurate numerical simulations of surrogate HC flameholding in scramjets. The measured air-contamination effects on normalized FS extinction limits are projected to assess ongoing Arc-Heater-induced "facility test effects" of NO production (e.g., 3 mole-%) and resultant oxygen depletion (from 21 to 19.5 %), for testing the "64/36" surrogate fuel in Langley s Arc-Heated Scramjet Test Facility for HIFiRE engine designs. The FS results show a generally small (< 4 %) "nitric oxide enhancement" effect, relative to clean air, for up to 3 % NO (freestream Mach number up to 7 in Arc Jet testing). However, a progressively large "oxygendeficiency weakening" effect develops. For 3 % NO, a net weakening of 26 % in FS is derived for the "64/36" fuel vs. air. The corresponding net weakening for pure ethylene is 20 %. A number of practical recommendations regarding facility test effects are offered.

A Survey of Studies on Ignition and Burn of Inertially Confined Fuels

NASA Astrophysics Data System (ADS)

Atzeni, Stefano

2016-10-01

A survey of studies on ignition and burn of inertial fusion fuels is presented. Potentials and issues of different approaches to ignition (central ignition, fast ignition, volume ignition) are addressed by means of simple models and numerical simulations. Both equimolar DT and T-lean mixtures are considered. Crucial issues concerning hot spot formation (implosion symmetry for central ignition; igniting pulse parameters for fast ignition) are briefly discussed. Recent results concerning the scaling of the ignition energy with the implosion velocity and constrained gain curves are also summarized.

Flexible Electronics Powered by Mixed Metal Oxide Thin Film Transistors

NASA Astrophysics Data System (ADS)

Marrs, Michael

A low temperature amorphous oxide thin film transistor (TFT) and amorphous silicon PIN diode backplane technology for large area flexible digital x-ray detectors has been developed to create 7.9-in. diagonal backplanes. The critical steps in the evolution of the backplane process include the qualification and optimization of the low temperature (200 °C) metal oxide TFT and a-Si PIN photodiode process, the stability of the devices under forward and reverse bias stress, the transfer of the process to flexible plastic substrates, and the fabrication and assembly of the flexible detectors. Mixed oxide semiconductor TFTs on flexible plastic substrates suffer from performance and stability issues related to the maximum processing temperature limitation of the polymer. A novel device architecture based upon a dual active layer improves both the performance and stability. Devices are directly fabricated below 200 ºC on a polyethylene naphthalate (PEN) substrate using mixed metal oxides of either zinc indium oxide (ZIO) or indium gallium zinc oxide (IGZO) as the active semiconductor. The dual active layer architecture allows for adjustment to the saturation mobility and threshold voltage stability without the requirement of high temperature annealing, which is not compatible with flexible plastic substrates like PEN. The device performance and stability is strongly dependent upon the composition of the mixed metal oxide; this dependency provides a simple route to improving the threshold voltage stability and drive performance. By switching from a single to a dual active layer, the saturation mobility increases from 1.2 cm2/V-s to 18.0 cm2/V-s, while the rate of the threshold voltage shift decreases by an order of magnitude. This approach could assist in enabling the production of devices on flexible substrates using amorphous oxide semiconductors. Low temperature (200°C) processed amorphous silicon photodiodes were developed successfully by balancing the tradeoffs between low temperature and low stress (less than -70 MPa compressive) and device performance. Devices with a dark current of less than 1.0 pA/mm2 and a quantum efficiency of 68% have been demonstrated. Alternative processing techniques, such as pixelating the PIN diode and using organic photodiodes have also been explored for applications where extreme flexibility is desired.

Process for making transition metal nitride whiskers

DOEpatents

Bamberger, Carlos E.

1989-01-01

A process for making metal nitrides, particularly titanium nitride whiskers, using a cyanide salt as a reducing agent for a metal compound in the presence of an alkali metal oxide. Sodium cyanide, various titanates and titanium oxide mixed with sodium oxide react to provide titanium nitride whiskers that can be used as reinforcement to ceramic composites.

Solid state oxygen sensor

DOEpatents

Garzon, F.H.; Brosha, E.L.

1997-12-09

A potentiometric oxygen sensor is formed having a logarithmic response to a differential oxygen concentration while operating as a Nernstian-type sensor. Very thin films of mixed conducting oxide materials form electrode services while permitting diffusional oxygen access to the interface between the zirconia electrolyte and the electrode. Diffusion of oxygen through the mixed oxide is not rate-limiting. Metal electrodes are not used so that morphological changes in the electrode structure do not occur during extended operation at elevated temperatures. 6 figs.

Ignition Delay Experiments with Small-scale Rocket Engine at Simulated Altitude Conditions Using Various Fuels with Nitric Acid Oxidants / Dezso J. Ladanyi

NASA Technical Reports Server (NTRS)

Ladanyi, Dezso J

1952-01-01

Ignition delay determinations of several fuels with nitric oxidants were made at simulated altitude conditions utilizing a small-scale rocket engine of approximately 50 pounds thrust. Included in the fuels were aniline, hydrazine hydrate, furfuryl alcohol, furfuryl mercaptan, turpentine, and mixtures of triethylamine with mixed xylidines and diallyaniline. Red fuming, white fuming, and anhydrous nitric acids were used with and without additives. A diallylaniline - triethylamine mixture and a red fuming nitric acid analyzing 3.5 percent water and 16 percent NO2 by weight was found to have a wide temperature-pressure ignition range, yielding average delays from 13 milliseconds at 110 degrees F to 55 milliseconds at -95 degrees F regardless of the initial ambient pressure that ranged from sea-level pressure altitude of 94,000 feet.

Tuning Selectivity of CO 2 Hydrogenation Reactions at the Metal/Oxide Interface

DOE PAGES

Kattel, Shyam; Liu, Ping; Chen, Jingguang G.

2017-06-26

The chemical transformation of CO 2 not only mitigates the anthropogenic CO 2 emission into the Earth’s atmosphere but also produces carbon compounds that can be used as precursors for the production of chemicals and fuels. The activation and conversion of CO 2 can be achieved on multifunctional catalytic sites available at the metal/oxide interface by taking advantage of the synergy between the metal nanoparticles and oxide support. In this paper, we look at the recent progress in mechanistic studies of CO 2 hydrogenation to C1 (CO, CH 3OH, and CH 4) compounds on metal/oxide catalysts. On this basis, wemore » are able to provide a better understanding of the complex reaction network, grasp the capability of manipulating structure and combination of metal and oxide at the interface in tuning selectivity, and identify the key descriptors to control the activity and, in particular, the selectivity of catalysts. In conclusion, we also discuss challenges and future research opportunities for tuning the selective conversion of CO 2 on metal/oxide catalysts.« less

From Mixed-Metal MOFs to Carbon-Coated Core-Shell Metal Alloy@Metal Oxide Solid Solutions: Transformation of Co/Ni-MOF-74 to CoxNi1-x@CoyNi1-yO@C for the Oxygen Evolution Reaction.

PubMed

Sun, Dengrong; Ye, Lin; Sun, Fangxiang; García, Hermenegildo; Li, Zhaohui

2017-05-01

Calcination of the mixed-metal species Co/Ni-MOF-74 leads to the formation of carbon-coated Co x Ni 1-x @Co y Ni 1-y O with a metal core diameter of ∼3.2 nm and a metal oxide shell thickness of ∼2.4 nm embedded uniformly in the ligand-derived carbon matrix. The close proximity of Co and Ni in the mixed-metal Co/Ni-MOF-74 promotes the metal alloying and the formation of a solid solution of metal oxide during the calcination process. The presence of the tightly coated carbon shell prohibits particle agglomeration and stabilizes the Co x Ni 1-x @Co y Ni 1-y O nanoparticles in small size. The Co x Ni 1-x @Co y Ni 1-y O@C derived from Co/Ni-MOF-74 nanocomposites show superior performance for the oxygen evolution reaction (OER). The use of mixed-metal MOFs as precursors represents a powerful strategy for the fabrication of metal alloy@metal oxide solid solution nanoparticles in small size. This method also holds great promise in the development of multifunctional carbon-coated complex core-shell metal/metal oxides owing to the diversified MOF structures and their flexible chemistry.

Early and transient stages of Cu oxidation: Atomistic insights from theoretical simulations and in situ experiments

NASA Astrophysics Data System (ADS)

Zhu, Qing; Zou, Lianfeng; Zhou, Guangwen; Saidi, Wissam A.; Yang, Judith C.

2016-10-01

Understanding of metal oxidation is critical to corrosion control, catalysis synthesis, and advanced materials engineering. Although, metal oxidation process is rather complicated, different processes, many of them coupled, are involved from the onset of reaction. Since first introduced, there has been great success in applying heteroepitaxial theory to the oxide growth on a metal surface as demonstrated in the Cu oxidation experiments. In this paper, we review the recent progress in experimental findings on Cu oxidation as well as the advances in the theoretical simulations of the Cu oxidation process. We focus on the effects of defects such as step edges, present on realistic metal surfaces, on the oxide growth dynamics. We show that the surface steps can change the mass transport of both Cu and O atoms during oxide growth, and ultimately lead to the formation of different oxide morphology. We also review the oxidation of Cu alloys and explore the effect of a secondary element to the oxide growth on a Cu surface. From the review of the work on Cu oxidation, we demonstrate the correlation of theoretical simulations at multiple scales with various experimental techniques.

Mixed Network Former Effect on Structure, Physical Properties, and Bioactivity of 45S5 Bioactive Glasses: An Integrated Experimental and Molecular Dynamics Simulation Study.

PubMed

Lu, Xiaonan; Deng, Lu; Huntley, Caitlin; Ren, Mengguo; Kuo, Po-Hsuen; Thomas, Ty; Chen, Jonathan; Du, Jincheng

2018-03-08

Boron-containing bioactive glasses display a strong potential in various biomedical applications lately due to their controllable dissolution rates. In this paper, we prepared a series of B 2 O 3 /SiO 2 -substituded 45S5 bioactive glasses and performed in vitro biomineralization tests with both simulated body fluid and K 2 HPO 4 solutions to evaluate the bioactivities of these glasses as a function of boron oxide to silica substitution. The samples were examined with scanning electron microscopy, X-ray diffraction, and Fourier transform infrared spectrometry after immersing them in the two solutions (simulated body fluid and K 2 HPO 4 ) up to 3 weeks. It was found that introduction of boron oxide delayed the formation of hydroxyapatite, but all the glasses were shown to be bioactive. Molecular dynamics (MD) simulations were used to complement the experimental efforts to understand the structural changes due to boron oxide to silica substitution by using newly developed partial charge composition-dependent potentials. Local structures around the glass network formers, medium-range structural information, network connectivity, and self-diffusion coefficients of ions were elucidated from MD simulation. Relationships between boron content and glass properties such as structure, density, glass transition temperature, and in vitro bioactivity were discussed in light of both experimental and simulation results.

Theoretical Design and Experimental Evaluation of Molten Carbonate Modified LSM Cathode for Low Temperature Solid Oxide Fuel Cells

DTIC Science & Technology

2015-01-07

Min Lee, Kevin Huang. Mixed Oxide-Ion and Carbonate-Ion Conductors (MOCCs) as Electrolyte Materials for Solid Oxide Fuel Cells, 218th ECS Meeting... Solid Oxide Fuel Cells The views, opinions and/or findings contained in this report are those of the author(s) and should not contrued as an official...ES) U.S. Army Research Office P.O. Box 12211 Research Triangle Park, NC 27709-2211 Solid Oxide Fuel Cell, Oxygen Reduction, Molten Carbonate

Electrochemical behaviour of manganese & ruthenium mixed oxide@ reduced graphene oxide nanoribbon composite in symmetric and asymmetric supercapacitor

NASA Astrophysics Data System (ADS)

Ahuja, Preety; Ujjain, Sanjeev Kumar; Kanojia, Rajni

2018-01-01

This paper reports the interaction of 3d-4d transition metal mixed oxide as simultaneous existence of M(3d) and M(4d) expectedly enhance the electrochemical performance of the resulting composite. Electrochemical performance of MnO2-RuO2 nanoflakes reduced graphene oxide nanoribbon composite (MnO2-RuO2@GNR) is intensively explored in symmetric and asymmetric supercapacitor assembly. In situ incorporation of graphene oxide nanoribbon (GONR) during synthesis provides efficient binding sites for growth of MnO2-RuO2 nanoflakes via their surface functionalities. The interconnected MnO2-RuO2 nanoflakes via GNR form a network with enhanced diffusion kinetics leading to efficient supercapacitor performance. Fabricated asymmetric supercapacitor reveals energy density 60 Wh kg-1 at power density 14 kW kg-1. Based on the analysis of impedance data in terms of complex power, quick response time of supercapacitor reveals excellent power delivery of the device. Improved cycling stability after 7000 charge discharge cycles for symmetric and asymmetric supercapacitor highlights the buffering action of GNR and can be generalized for next generation high performance supercapacitor.

Recent progress and perspectives in the photocatalytic CO2 reduction of Ti-oxide-based nanomaterials

NASA Astrophysics Data System (ADS)

Sohn, Youngku; Huang, Weixin; Taghipour, Fariborz

2017-02-01

The conversion of CO2 with H2O to valuable chemicals and fuels is a new solution to current environmental and energy problems, and the high energy barrier of these reactions can be overcome by the input of solar and electrical energy. However, the reduction efficiencies and selectivities of these reactions are insufficient for practical use, and significant effort and strategy are required to overcome the many obstacles preventing the large-scale application of photocatalytic CO2 reduction. This article reviews recent progress in CO2 reduction using titanium oxide-based materials and various strategic factors for increasing photocatalytic efficiency. This article also highlights non-titanium-oxide catalysts, the photoelectrocatalytic reduction of CO2, and other recent review articles concerning the recycling of CO2 to value-added carbon compounds.

Adopting Clean Fuels and Technologies on School Buses. Pollution and Health Impacts in Children

PubMed Central

D’Souza, Jennifer; Sheppard, Lianne; Kaufman, Joel D.; Hallstrand, Teal S.; Davey, Mark E.; Sullivan, James R.; Jahnke, Jordan; Koenig, Jane; Larson, Timothy V.; Liu, L. J. Sally

2015-01-01

Rationale: More than 25 million American children breathe polluted air on diesel school buses. Emission reduction policies exist, but the health impacts to individual children have not been evaluated. Methods: Using a natural experiment, we characterized the exposures and health of 275 school bus riders before, during, and after the adoption of clean technologies and fuels between 2005 and 2009. Air pollution was measured during 597 trips on 188 school buses. Repeated measures of exhaled nitric oxide (FeNO), lung function (FEV1, FVC), and absenteeism were also collected monthly (1,768 visits). Mixed-effects models longitudinally related the adoption of diesel oxidation catalysts (DOCs), closed crankcase ventilation systems (CCVs), ultralow-sulfur diesel (ULSD), or biodiesel with exposures and health. Measurements and Main Results: Fine and ultrafine particle concentrations were 10–50% lower on buses using ULSD, DOCs, and/or CCVs. ULSD adoption was also associated with reduced FeNO (−16% [95% confidence interval (CI), −21 to −10%]), greater changes in FVC and FEV1 (0.02 [95% CI, 0.003 to 0.05] and 0.01 [95% CI, −0.006 to 0.03] L/yr, respectively), and lower absenteeism (−8% [95% CI, −16.0 to −0.7%]), with stronger associations among patients with asthma. DOCs, and to a lesser extent CCVs, also were associated with improved FeNO, FVC growth, and absenteeism, but these findings were primarily restricted to patients with persistent asthma and were often sensitive to control for ULSD. No health benefits were noted for biodiesel. Extrapolating to the U.S. population, changed fuel/technologies likely reduced absenteeism by more than 14 million/yr. Conclusions: National and local diesel policies appear to have reduced children’s exposures and improved health. PMID:25867003

U.S. Commercial Spent Nuclear Fuel Assembly Characteristics - 1968-2013

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

Hu, Jianwei; Peterson, Joshua L.; Gauld, Ian C.

2016-09-01

Activities related to management of spent nuclear fuel (SNF) are increasing in the US and many other countries. Over 240,000 SNF assemblies have been discharged from US commercial reactors since the late 1960s. The enrichment and burnup of SNF have changed significantly over the past 40 years, and fuel assembly designs have also evolved. Understanding the general characteristics of SNF helps regulators and other stakeholders form overall strategies towards the final disposal of US SNF. This report documents a survey of all US commercial SNF assemblies in the GC-859 database and provides reference SNF source terms (e.g., nuclide inventories, decaymore » heat, and neutron/photon emission) at various cooling times up to 200 years after fuel discharge. This study reviews the distribution and evolution of fuel parameters of all SNF assemblies discharged over the past 40 years. Assemblies were categorized into three groups based on discharge year, and the median burnups and enrichments of each group were used to establish representative cases. An extended burnup case was created for boiling water reactor (BWR) fuels, and another was created for the pressurized water reactor (PWR) fuels. Two additional cases were developed to represent the eight mixed oxide (MOX) fuel assemblies in the database. Burnup calculations were performed for each representative case. Realistic parameters for fuel design and operations were used to model the SNF and to provide reference fuel characteristics representative of the current inventory. Burnup calculations were performed using the ORIGEN code, which is part of the SCALE nuclear modeling and simulation code system. Results include total activity, decay heat, photon emission, neutron flux, gamma heat, and plutonium content, as well as concentrations for 115 significant nuclides. These quantities are important in the design, regulation, and operations of SNF storage, transportation, and disposal systems.« less

Colloidal metal oxide nanoparticle systems: the new promising way to prevent antibiotic resistance during treatment of local infectious processes

NASA Astrophysics Data System (ADS)

Karasenkov, Y.; Frolov, G.; Pogorelsky, I.; Latuta, N.; Gusev, A.; Kuznetsov, D.; Leont'ev, V.

2015-11-01

New bactericidal containing nanoparticles colloids for application in dentistry, maxillofacial surgery, urology, obstetrics, gynaecology, ENT, proctology have been developed. The various water colloidal nanodispersive systems of metals and oxides have been obtained by means of electric impulse - condensation (electroerosion) method. These systems are based pure elements and alloys of argentum (Ag), titanium dioxide (TiO2), iron oxide (Fe2O3), tantalum oxide (TaO), vanadium oxide (VO2), cobalt oxide (CoO), tantalum dioxide TaO2, zinc oxide (ZnO), copper oxide (CuO) and mixed suspensions of titanium, aluminium and molybdenum oxides. The research has been made on culture of dentobacterial plaque and mixed culture issued from gingival spaces. The composition of culture was identified with S.aureus, S.epidermidis and nonfermentable kinds of E.coli. The observation period lasted more than nineteen days. All solutions showed highly prolonged bactericidal activity in dilutions from the whole solution 1-20 mg/L. The bactericidal activity of powder specimen of silica containing Ag and Fe2O3 nanoparticles used as dental filling material and disintegrates of composite materials (produced by “StomaDent” CJSC) have been studied. Tested materials have long (up to 19 days and more) bactericidal activity.

SnO-containing oxide glasses emitting in 1.0–2.0 µm spectral range

NASA Astrophysics Data System (ADS)

Denker, B. I.; Galagan, B. I.; Sverchkov, S. E.; Dianov, E. M.

2018-06-01

Different SnO-containing oxide glasses with various net formers (silicate, phosphate, germanate, borate, and a number of mixed compositions) were investigated for the presence of near-infrared photoluminescence. It was found that SnO-containing silicate and germanate, and also a plurality of mixed glass compositions, exhibit wideband photoluminescence peaking at 1.5–1.6 µm and with lifetimes in the order of 100 µs. These glasses are interesting as promising active materials for widely tunable fiber lasers and wideband amplifiers.

40 CFR 80.165 - Certification test procedures and standards.

Code of Federal Regulations, 2012 CFR

2012-07-01

... PROGRAMS (CONTINUED) REGULATION OF FUELS AND FUEL ADDITIVES Detergent Gasoline § 80.165 Certification test... detergent additive is mixed in a test fuel meeting all relevant requirements of § 80.164, including the... for such records. (a) Fuel injector deposit control testing. (1) The required test fuel must produce...

40 CFR 80.165 - Certification test procedures and standards.

Code of Federal Regulations, 2013 CFR

2013-07-01

... PROGRAMS (CONTINUED) REGULATION OF FUELS AND FUEL ADDITIVES Detergent Gasoline § 80.165 Certification test... detergent additive is mixed in a test fuel meeting all relevant requirements of § 80.164, including the... for such records. (a) Fuel injector deposit control testing. (1) The required test fuel must produce...

Process for making transition metal nitride whiskers

DOEpatents

Bamberger, C.E.

1988-04-12

A process for making metal nitrides, particularly titanium nitride whiskers, using a cyanide salt as a reducing agent for a metal compound in the presence of an alkali metal oxide. Sodium cyanide, various titanates and titanium oxide mixed with sodium oxide react to provide titanium nitride whiskers that can be used as reinforcement to ceramic composites. 1 fig., 1 tab.

Effect of temperature on the adsorption of sulfanilamide onto aluminum oxide and its molecular dynamics simulations

NASA Astrophysics Data System (ADS)

Ji, Ying-xue; Wang, Feng-he; Duan, Lun-chao; Zhang, Fan; Gong, Xue-dong

2013-11-01

The effect of temperature on the adsorption of sulfanilamide (SA) onto aluminum oxide was researched through batch adsorption experiments, and was then simulated using the molecular dynamics (MD) method. The results show that SA can be adsorbed effectively by the adsorbent of aluminum oxide due to their interactions between SA molecule and the surface of aluminum oxide crystal, and temperature is a key factor which influences the adsorption efficiency obviously. The removal ratio of SA at 298 K is the highest among the selected temperatures (293 K, 298 K, 303 K). MD simulations revealed the interactions between SA molecules and (0 1 2) surface of aluminum oxide crystal at molecular level. The SA molecule has clung to the (0 1 2) face of aluminum oxide crystal, and its structure is deformed during its combining process with the surface. Both binding energies (Eb) and deformation energies (ΔEdeform) in the SA-aluminum oxide system follow the same order as: SA-Al2O3 (298 K) > SA-Al2O3 (293 K) > SA-Al2O3 (303 K). Their deformation energies are far less than their non-bonding energies. Analysis of radial distribution functions (RDFs) indicates that SA can be adsorbed effectively by aluminum oxide crystal mainly through non-bond interactions. The simulation results agree well with the experimental results, which verify the rationality and reliability of the MD simulation. The further MD simulations provide theoretically optimal temperature (301 K) for the adsorption of SA onto aluminum oxide. The molecular dynamics simulation will be useful for better understanding the adsorption mechanism of antibiotics onto metal oxides, which will also be helpful for optimizing experimental conditions to improve the adsorptive removal efficiency of antibiotics.

Sulfur-Doped Zinc Oxide (ZnO) Nanostars: Synthesis and Simulation of Growth Mechanism

DTIC Science & Technology

2011-10-01

Zinc Oxide ( ZnO ) Nanostars: Synthesis and Simulation of Growth Mechanism Jinhyun Cho1, Qiubao Lin2,3, Sungwoo...characterization, and ab initio simulations of star-shaped hexagonal zinc oxide ( ZnO ) nanowires. The ZnO nanostructures were synthesized by a low...Introduction Zinc oxide ( ZnO ) is a wide bandgap (3.37 eV), Ⅱ–Ⅵ semiconductor of great interest for optoelectronic applications [1–3]. Its

Thermochemical Properties of the Lattice Oxygen in W,Mn-Containing Mixed Oxide Catalysts for the Oxidative Coupling of Methane

NASA Astrophysics Data System (ADS)

Lomonosov, V. I.; Gordienko, Yu. A.; Sinev, M. Yu.; Rogov, V. A.; Sadykov, V. A.

2018-03-01

Mixed NaWMn/SiO2 oxide, samples containing individual components (Na, W, Mn) and their double combinations (Na-W, Na-Mn, W-Mn) supported on silica were studied by temperature programmed reduction (TPR) and desorption (TPD), and heat flow calorimetry during their reoxidation with molecular oxygen in pulse mode. The NaWMn/SiO2 mixed oxide was shown to contain two different types of reactive lattice oxygen. The weakly-bonded oxygen can be reversibly released from the oxide in a flow of inert gas in the temperature range of 575‒900°C, while the strongly-bonded oxygen can be removed during the reduction of the sample with hydrogen at 700-900°C. The measured thermal effect of oxygen consumption for these two oxygen forms are 185 and 350 kJ/mol, respectively. The amount of oxygen removed at reduction ( 443 μmol/g) considerably exceeded the amount desorbed in an inert gas flow ( 56 μmol/g). The obtained results suggest that the reversible oxygen desorption is due to the redox process in which manganese ions are involved, while during the temperature programmed reduction, mainly oxygen bonded with tungsten is removed.

Occupational exposures to emissions from combustion of diesel and alternative fuels in underground mining--a simulated pilot study.

PubMed

Lutz, Eric A; Reed, Rustin J; Lee, Vivien S T; Burgess, Jefferey L

2015-01-01

Diesel fuel is commonly used for underground mining equipment, yet diesel engine exhaust is a known human carcinogen. Alternative fuels, including biodiesel, and a natural gas/diesel blend, offer the potential to reduce engine emissions and associated health effects. For this pilot study, exposure monitoring was performed in an underground mine during operation of a load-haul-dump vehicle. Use of low-sulfur diesel, 75% biodiesel/25% diesel blend (B75), and natural gas/diesel blend (GD) fuels were compared. Personal samples were collected for total and respirable diesel particulate matter (tDPM and rDPM, respectively) and total and respirable elemental and organic carbon (tEC, rEC, tOC, rOC, respectively), as well as carbon monoxide (CO), formaldehyde, acetaldehyde, naphthalene, nitric oxide (NO), and nitrogen dioxide (NO2). Compared to diesel, B75 use was associated with a 33% reduction in rDPM, reductions in rEC, tEC, and naphthalene, increased tDPM, tOC, and NO, and no change in rOC, CO, and NO2. Compared to diesel, GD was associated with a 66% reduction in rDPM and a reduction in all other exposures except CO. The alternative fuels tested both resulted in reduced rDPM, which is the basis for the current Mine Safety and Health Administration (MSHA) occupational exposure standard. Although additional study is needed with a wider variety of equipment, use of alternative fuels have the promise of reducing exposures from vehicular exhaust in underground mining settings.

Mixed protonic and electronic conductors hybrid oxide synaptic transistors

NASA Astrophysics Data System (ADS)

Fu, Yang Ming; Zhu, Li Qiang; Wen, Juan; Xiao, Hui; Liu, Rui

2017-05-01

Mixed ionic and electronic conductor hybrid devices have attracted widespread attention in the field of brain-inspired neuromorphic systems. Here, mixed protonic and electronic conductor (MPEC) hybrid indium-tungsten-oxide (IWO) synaptic transistors gated by nanogranular phosphorosilicate glass (PSG) based electrolytes were obtained. Unique field-configurable proton self-modulation behaviors were observed on the MPEC hybrid transistor with extremely strong interfacial electric-double-layer effects. Temporally coupled synaptic plasticities were demonstrated on the MPEC hybrid IWO synaptic transistor, including depolarization/hyperpolarization, synaptic facilitation and depression, facilitation-stead/depression-stead behaviors, spiking rate dependent plasticity, and high-pass/low-pass synaptic filtering behaviors. MPEC hybrid synaptic transistors may find potential applications in neuron-inspired platforms.

Impact of nanoparticles and butanol on properties and spray characteristics of waste cooking oil biodiesel and pure rapeseed oil

NASA Astrophysics Data System (ADS)

Ahmad, K. H.; Hossain, A. K.

2017-11-01

Renewable biofuels can offset greenhouse gases by replacing fossil fuels destined for internal combustion engines. However, biofuels have their own setbacks and may lead to poor combustion inside the engine cylinder. In this study, nanoparticles and butanol were blended either separately or together with waste cooking oil biodiesel and neat rape seed oil to investigate the impact of these additives on the properties and spray characteristics. The investigation comprised of three stages, with each having an effect on how the next stage of the investigation was conducted. Initially, the physicochemical characteristics of 25ppm, 50ppm, 75ppm and 100ppm concentrations of aluminium oxide and copper oxide nanoparticle blends with fossil diesel, waste cooking oil biodiesel and rapeseed oil were investigated. The results from first stage investigation showed that, in general, blends containing aluminium oxide nanoparticles gave better results for almost all the concentrations when compared with copper oxide nanoparticle blends with the same nanoparticle concentrations. Overall, waste cooking oil biodiesel blended with 100ppm aluminium oxide nanoparticle showed most promising results like the flash point of 159.3°C, kinematic viscosity @40°C of 4.66 cSt, and gross calorific value of 44.43 MJ/kg. These values were 61.6% higher, 51.3% higher and 3.2% lower than that of corresponding fossil diesel values. Subsequently, in the second stage of the study, the addition of butanol was investigated to assess its ability to enhance the emulsion of biofuel-nanoparticles blends. Four blends containing 90% biodiesel & 10% butanol, and 90% rapeseed oil & 10% butanol, with and without 100ppm Al2O3 were prepared. Results showed that the kinematic viscosity of the fuel blends containing 100ppm aluminium oxide nanoparticles were decreased by 0.4% and 3.3%, for 90% biodiesel & 10% butanol and 90% rapeseed oil & 10% butanol blends respectively, when compared to without the nanoparticles. The results obtained from the second stage of investigation proved that butanol acted as a surfactant and thus addition of butanol helped to improve the properties of the biofuel-nanoparticle blends. In the third stage of the study, the spray characteristics of fossil diesel, biodiesel, biodiesel + 100ppm aluminium oxide nanoparticles, rapeseed oil, rapeseed oil + 100ppm aluminium oxide nanoparticles, 90% biodiesel & 10% butanol, 90% biodiesel & 10% butanol + 100ppm aluminium oxide nanoparticles, 90% rapeseed oil & 10% butanol and 90% rapeseed oil & 10% butanol + 100ppm aluminium oxide nanoparticles were investigated. It was found that amongst all fuels, blend containing 90% biodiesel + 10% butanol + 100ppm aluminium oxide nanoparticles gave better spray characteristics; for example, the liquid sheet angle was 7.14% lower and the spray cone angle was 7.87% higher than the corresponding fossil diesel values. The study concluded that the spray characteristics and properties of biofuels could be improved by blending with both aluminium oxide nanoparticles and butanol.

Simultaneous co-fermentation of mixed sugars: a promising strategy for producing cellulosic ethanol.

PubMed

Kim, Soo Rin; Ha, Suk-Jin; Wei, Na; Oh, Eun Joong; Jin, Yong-Su

2012-05-01

The lack of microbial strains capable of fermenting all sugars prevalent in plant cell wall hydrolyzates to ethanol is a major challenge. Although naturally existing or engineered microorganisms can ferment mixed sugars (glucose, xylose and galactose) in these hydrolyzates sequentially, the preferential utilization of glucose to non-glucose sugars often results in lower overall yield and productivity of ethanol. Therefore, numerous metabolic engineering approaches have been attempted to construct optimal microorganisms capable of co-fermenting mixed sugars simultaneously. Here, we present recent findings and breakthroughs in engineering yeast for improved ethanol production from mixed sugars. In particular, this review discusses new sugar transporters, various strategies for simultaneous co-fermentation of mixed sugars, and potential applications of co-fermentation for producing fuels and chemicals. Copyright © 2012 Elsevier Ltd. All rights reserved.

Comparison of anticancer activity of biocompatible ZnO nanoparticles prepared by solution combustion synthesis using aqueous leaf extracts of Abutilon indicum, Melia azedarach and Indigofera tinctoria as biofuels.

PubMed

Prashanth, G K; Prashanth, P A; Nagabhushana, B M; Ananda, S; Krishnaiah, G M; Nagendra, H G; Sathyananda, H M; Rajendra Singh, C; Yogisha, S; Anand, S; Tejabhiram, Y

2018-08-01

Recently, there has been an upsurge in the use of naturally available fuels for solution combustion synthesis (SCS) of nanoparticles. Although many reports suggest that these biofuels pose less harm to the environment, their strategic advantages and reliability for making NPs has not been discussed. In the present work, we try to address this issue using plant extracts as biofuels for the SCS of zinc oxide nanoparticles as a model system. In the present work, combustion synthesis of ZnO NPs using lactose and aqueous leaf extracts of Abutilon indicum, Melia azedarach, Indigofera tinctoria as biofuels has been carried out. A comparative analysis of the obtained powders has been conducted to understand the strategic advantages of using plant extracts over a chemical as combustion fuel for the synthesis of zinc oxide nanoparticles. The X-ray diffractograms of the samples revealed the presence of Wurtzite hexagonal structure with varying crystallite sizes. Morphological studies indicated that samples prepared using biofuels had smaller diameter than those prepared using lactose as fuel. Surface characteristics of the samples were measured by X-ray photoelectron spectroscopy. Qualitative phytochemical screening of aqueous leaf extracts revealed the presence of many phytochemicals in them, which might be responsible for combustion. Gas chromatography mass spectrum was carried out to detect the phytochemicals present in the aqueous extracts of the leaves. Further, anticancer evaluation carried out against DU-145 and Calu-6 cancer cells indicated higher anticancer activity of zinc oxide nanoparticles prepared using biofuels. The results of blood haemolysis revealed the biocompatibility of zinc oxide nanoparticles at lower concentrations. In conclusion, we propose that multiple other studies would be required in order to vindicate the potential advantages of using naturally available fuels in SCS.

Discrimination of irradiated MOX fuel from UOX fuel by multivariate statistical analysis of simulated activities of gamma-emitting isotopes

NASA Astrophysics Data System (ADS)

Åberg Lindell, M.; Andersson, P.; Grape, S.; Hellesen, C.; Håkansson, A.; Thulin, M.

2018-03-01

This paper investigates how concentrations of certain fission products and their related gamma-ray emissions can be used to discriminate between uranium oxide (UOX) and mixed oxide (MOX) type fuel. Discrimination of irradiated MOX fuel from irradiated UOX fuel is important in nuclear facilities and for transport of nuclear fuel, for purposes of both criticality safety and nuclear safeguards. Although facility operators keep records on the identity and properties of each fuel, tools for nuclear safeguards inspectors that enable independent verification of the fuel are critical in the recovery of continuity of knowledge, should it be lost. A discrimination methodology for classification of UOX and MOX fuel, based on passive gamma-ray spectroscopy data and multivariate analysis methods, is presented. Nuclear fuels and their gamma-ray emissions were simulated in the Monte Carlo code Serpent, and the resulting data was used as input to train seven different multivariate classification techniques. The trained classifiers were subsequently implemented and evaluated with respect to their capabilities to correctly predict the classes of unknown fuel items. The best results concerning successful discrimination of UOX and MOX-fuel were acquired when using non-linear classification techniques, such as the k nearest neighbors method and the Gaussian kernel support vector machine. For fuel with cooling times up to 20 years, when it is considered that gamma-rays from the isotope 134Cs can still be efficiently measured, success rates of 100% were obtained. A sensitivity analysis indicated that these methods were also robust.

Internal Nozzle Flow Simulations of Gasoline-Like Fuels under Diesel Operating Conditions

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

Torelli, R.; Som, S.; Pei, Y.

Spray formation in internal combustion engines with direct injection is strictly correlated with internal nozzle flow characteristics, which are in turn influenced by fuel physical properties and injector needle motion. This paper pre-sents a series of 3D simulations that model the in-nozzle flow in a 5-hole mini-sac diesel injector. Two gasoline-like naphtha fuels, namely full-range and light naphtha, were tested under operating conditions typical of diesel applica-tions and were compared with n-dodecane, selected from a palette used as diesel surrogates. Validated methodolo-gies from our previous work were employed to account for realistic needle motion. The multi-phase nature of the problemmore » was described by the mixture model assumption with the Volume of Fluid method. Cavitation effects were included by means of the Homogeneous Relaxation Model and turbulence closure was achieved with the Standard k-ε model in an Unsteady Reynolds-Averaged Navier-Stokes formulation. The results revealed that injector perfor-mance and propensity to cavitation are influenced by the fuel properties. Analyses of several physical quantities were carried out to highlight the fuel-to-fuel differences in terms of mass flow rate, discharge coefficients, and fuel vapor volume fraction inside the orifices. A series of parametric investigations was also performed to assess the fuel response to varied fuel injection temperature, injection pressure, and cross-sectional orifice area. For all cases, the strict correlation between cavitation magnitude and saturation pressure was confirmed. Owing to their higher volatil-ity, the two gasoline-like fuels were characterized by higher cavitation across all the simulated conditions. Occur-rence of cavitation was mostly found at the needle seat and at the orifice inlets during the injection event’s transient, when very small gaps exist between the needle and its seat. This behavior tended to disappear at maximum needle lift, where cavitation was absent for all fuels. Differences in mass flow rate between the naphtha fuels and n-dodecane were measured and ascribed to the different densities of the three fuels. Nevertheless, they were found to be smaller than expected, owing to the lower viscosity of the gasoline-like fuels. This beneficial influence of the lower viscosity was shown to be less effective at higher temperature, where the relative viscosity differences de-creased.« less

Indoor Spatial Monitoring of Combustion Generated Pollutants (TSP, CO, and BaP) by Indian Cookstoves

DTIC Science & Technology

1988-07-01

various building materials and consumer products, and combustion appliances. People and pets normally emit C02 , moisture, odors, and microbes. Tobacco ...fuels Group II. Sources both indoor and outdoor: Nitric oxide, nitrogen dioxide Fuel-burning, tobacco smoke Polycyclic hydrocarbons Fuel-burning, tobacco ...smoke Carbon monoxide Fuel-burning, tobacco smoke Carbon dioxide Metabolic activity, combustion Suspended particulate matter Resuspension

Method for continuous synthesis of metal oxide powders

DOEpatents

Berry, David A.; Haynes, Daniel J.; Shekhawat, Dushyant; Smith, Mark W.

2015-09-08

A method for the rapid and continuous production of crystalline mixed-metal oxides from a precursor solution comprised of a polymerizing agent, chelated metal ions, and a solvent. The method discharges solution droplets of less than 500 .mu.m diameter using an atomizing or spray-type process into a reactor having multiple temperature zones. Rapid evaporation occurs in a first zone, followed by mixed-metal organic foam formation in a second zone, followed by amorphous and partially crystalline oxide precursor formation in a third zone, followed by formation of the substantially crystalline mixed-metal oxide in a fourth zone. The method operates in a continuous rather than batch manner and the use of small droplets as the starting material for the temperature-based process allows relatively high temperature processing. In a particular embodiment, the first zone operates at 100-300.degree. C., the second zone operates at 300-700.degree. C., and the third operates at 700-1000.degree. C., and fourth zone operates at at least 700.degree. C. The resulting crystalline mixed-metal oxides display a high degree of crystallinity and sphericity with typical diameters on the order of 50 .mu.m or less.

Alternative approaches to mixed conifer forest restoration: partitioning the competitive neighborhood

Treesearch

Michael I. Premer; Sophan Chhin; Jianwei Zhang

2017-01-01

Forest restoration efforts in the intermountain west of North America generally seek to promote the continuation of pine dominance, enhance wildlife habitat, and decrease hazardous fuels, thereby mitigating catastrophic losses from various stressors and disturbances. We propose a method of focal tree release thinning that partitions the...

ACADEMY OF SCIENCES AZERBAYDZHAN. INSTITUTE OF ADDITIVE CHEMISTRY. ADDITIVES AND LUBRICANTS, QUESTIONS OF SYNTHESIS, RESEARCH ON THE APPLICATION OF ADDITIVES AND LUBRICANTS, FUELS, AND POLYMER MATERIALS (SELECTED ARTICLES),

DTIC Science & Technology

an alkylphenol ); Synthesis and investigation of the new antioxidative INKhP-40 Additive; Synthesis and investigation of N-butylurethane-based antioxidative additive; and Synthesis of mixed esters of dithiophosphoric acid.

PAMAM dendrimers and graphene: Materials for removing aromatic contaminants from water

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

DeFever, Ryan S.; Geitner, Nicholas K.; Bhattacharya, Priyanka

2015-04-07

We present results from experiments and atomistic molecular dynamics simulations on the association of naphthalene with polyamidoamine (PAMAM) dendrimers and graphene oxide (GrO). Specifically, we investigate 3rd-6th generation (G3-G6) PAMAM dendrimers and GrO with different levels of oxidation. The work is motivated by the potential applications of these materials in removing polycyclic aromatic hydrocarbon contaminants from water. Our experimental results indicate that graphene oxide outperforms dendrimers in removing naphthalene from water. Molecular dynamics simulations suggest that the prominent factors driving naphthalene association to these seemingly disparate materials are similar. Interestingly, we find that cooperative interactions between the naphthalene molecules playmore » a significant role in enhancing their association to the dendrimers and graphene oxide. Our findings highlight that while selection of appropriate materials is important, the interactions between the contaminants themselves can also be important in governing the effectiveness of a given material. The combined use of experiments and molecular dynamics simulations allows us to comment on the possible factors resulting in better performance of graphene oxide in removing naphthalene from water.« less

Influence of anodization parameters on the volume expansion of anodic aluminum oxide formed in mixed solution of phosphoric and oxalic acids

NASA Astrophysics Data System (ADS)

Kao, Tzung-Ta; Chang, Yao-Chung

2014-01-01

The growth of anodic alumina oxide was conducted in the mixed solution of phosphoric and oxalic acids. The influence of anodizing voltage, electrolyte temperature, and concentration of phosphoric and oxalic acids on the volume expansion of anodic aluminum oxide has been investigated. Either anodizing parameter is chosen to its full extent of range that allows the anodization process to be conducted without electric breakdown and to explore the highest possible volume expansion factor. The volume expansion factors were found to vary between 1.25 and 1.9 depending on the anodizing parameters. The variation is explained in connection with electric field, ion transport number, temperature effect, concentration, and activity of acids. The formation of anodic porous alumina at anodizing voltage 160 V in 1.1 M phosphoric acid mixed with 0.14 M oxalic acid at 2 °C showed the peak volume expansion factor of 1.9 and the corresponding moderate growth rate of 168 nm/min.

Air electrode composition for solid oxide fuel cell

DOEpatents

Kuo, L.; Ruka, R.J.; Singhal, S.C.

1999-08-03

An air electrode composition for a solid oxide fuel cell is disclosed. The air electrode material is based on lanthanum manganite having a perovskite-like crystal structure ABO{sub 3}. The A-site of the air electrode composition comprises a mixed lanthanide in combination with rare earth and alkaline earth dopants. The B-site of the composition comprises Mn in combination with dopants such as Mg, Al, Cr and Ni. The mixed lanthanide comprises La, Ce, Pr and, optionally, Nd. The rare earth A-site dopants preferably comprise La, Nd or a combination thereof, while the alkaline earth A-site dopant preferably comprises Ca. The use of a mixed lanthanide substantially reduces raw material costs in comparison with compositions made from high purity lanthanum starting materials. The amount of the A-site and B-site dopants is controlled in order to provide an air electrode composition having a coefficient of thermal expansion which closely matches that of the other components of the solid oxide fuel cell. 3 figs.

Air electrode composition for solid oxide fuel cell

DOEpatents

Kuo, Lewis; Ruka, Roswell J.; Singhal, Subhash C.

1999-01-01

An air electrode composition for a solid oxide fuel cell is disclosed. The air electrode material is based on lanthanum manganite having a perovskite-like crystal structure ABO.sub.3. The A-site of the air electrode composition comprises a mixed lanthanide in combination with rare earth and alkaline earth dopants. The B-site of the composition comprises Mn in combination with dopants such as Mg, Al, Cr and Ni. The mixed lanthanide comprises La, Ce, Pr and, optionally, Nd. The rare earth A-site dopants preferably comprise La, Nd or a combination thereof, while the alkaline earth A-site dopant preferably comprises Ca. The use of a mixed lanthanide substantially reduces raw material costs in comparison with compositions made from high purity lanthanum starting materials. The amount of the A-site and B-site dopants is controlled in order to provide an air electrode composition having a coefficient of thermal expansion which closely matches that of the other components of the solid oxide fuel cell.

Trace gas emissions from burning Florida wetlands

NASA Astrophysics Data System (ADS)

Cofer, Wesley R.; Levine, Joel S.; Winstead, Edward L.; Lebel, Peter J.; Koller, Albert M.; Hinkle, C. Ross

1990-02-01

Measurements of biomass burn-produced trace gases are presented that were obtained using a helicopter at low altitudes above burning Florida wetlands on November 9, 1987, and from both helicopter and light-aircraft samplings on November 7, 1988. Carbon dioxide (CO2) normalized emission ratios (ΔX/ΔCO2; V/V; where X is trace gas) for carbon monoxide (CO), hydrogen (H2), methane (CH4), total nonmethane hydrocarbons (TNMHC), and nitrous oxide (N2O) were obtained over burning graminoid wetlands consisting primarily of Spartina bakeri and Juncus roemerianus. Some interspersed scrub oak (Quercus spp) and saw palmetto (Screnoa repens) were also burned. No significant differences were observed in the emission ratios determined for these gases from samples collected over flaming, mixed, and smoldering phases of combustion during the 1987 fire. Combustion-categorized differences in emission ratios were small for the 1988 fire. Combustion efficiency was relatively good (low emission ratios for reduced gases) for both fires. We believe that the consistently low emission ratios were a unique result of graminoid wetlands fires, in which the grasses and rushes (both small-size fuels) burned rapidly down to standing water and were quickly extinguished. Consequently, the efficiency of the combustion was good and the amount and duration of smoldering combustion was greatly diminished.

Hybrid Gama Emission Tomography (HGET): FY16 Annual Report

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

Miller, Erin A.; Smith, Leon E.; Wittman, Richard S.

2017-02-01

Current International Atomic Energy Agency (IAEA) methodologies for the verification of fresh low-enriched uranium (LEU) and mixed oxide (MOX) fuel assemblies are volume-averaging methods that lack sensitivity to individual pins. Further, as fresh fuel assemblies become more and more complex (e.g., heavy gadolinium loading, high degrees of axial and radial variation in fissile concentration), the accuracy of current IAEA instruments degrades and measurement time increases. Particularly in light of the fact that no special tooling is required to remove individual pins from modern fuel assemblies, the IAEA needs new capabilities for the verification of unirradiated (i.e., fresh LEU and MOX)more » assemblies to ensure that fissile material has not been diverted. Passive gamma emission tomography has demonstrated potential to provide pin-level verification of spent fuel, but gamma-ray emission rates from unirradiated fuel emissions are significantly lower, precluding purely passive tomography methods. The work presented here introduces the concept of Hybrid Gamma Emission Tomography (HGET) for verification of unirradiated fuels, in which a neutron source is used to actively interrogate the fuel assembly and the resulting gamma-ray emissions are imaged using tomographic methods to provide pin-level verification of fissile material concentration.« less

Conceptual designs of NDA instruments for the NRTA system at the Rokkasho Reprocessing Plant

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

Li, T.K.; Klosterbuer, S.F.; Menlove, H.O.

The authors are studying conceptual designs of selected nondestructive assay (NDA) instruments for the near-real-time accounting system at the rokkasho Reprocessing Plant (RRP) of Japan Nuclear Fuel Limited (JNFL). The JNFL RRP is a large-scale commercial reprocessing facility for spent fuel from boiling-water and pressurized-water reactors. The facility comprises two major components: the main process area to separate and produce purified plutonium nitrate and uranyl nitrate from irradiated reactor spent fuels, and the co-denitration process area to combine and convert the plutonium nitrate and uranyl nitrate into mixed oxide (MOX). The selected NDA instruments for conceptual design studies are themore » MOX-product canister counter, holdup measurement systems for calcination and reduction furnaces and for blenders in the co-denitration process, the isotope dilution gamma-ray spectrometer for the spent fuel dissolver solution, and unattended verification systems. For more effective and practical safeguards and material control and accounting at RRP, the authors are also studying the conceptual design for the UO{sub 3} large-barrel counter. This paper discusses the state-of-the-art NDA conceptual design and research and development activities for the above instruments.« less

Toward improved mechanical, tribological, corrosion and in-vitro bioactivity properties of mixed oxide nanotubes on Ti-6Al-7Nb implant using multi-objective PSO.

PubMed

Rafieerad, A R; Bushroa, A R; Nasiri-Tabrizi, B; Kaboli, S H A; Khanahmadi, S; Amiri, Ahmad; Vadivelu, J; Yusof, F; Basirun, W J; Wasa, K

2017-05-01

Recently, the robust optimization and prediction models have been highly noticed in district of surface engineering and coating techniques to obtain the highest possible output values through least trial and error experiments. Besides, due to necessity of finding the optimum value of dependent variables, the multi-objective metaheuristic models have been proposed to optimize various processes. Herein, oriented mixed oxide nanotubular arrays were grown on Ti-6Al-7Nb (Ti67) implant using physical vapor deposition magnetron sputtering (PVDMS) designed by Taguchi and following electrochemical anodization. The obtained adhesion strength and hardness of Ti67/Nb were modeled by particle swarm optimization (PSO) to predict the outputs performance. According to developed models, multi-objective PSO (MOPSO) run aimed at finding PVDMS inputs to maximize current outputs simultaneously. The provided sputtering parameters were applied as validation experiment and resulted in higher adhesion strength and hardness of interfaced layer with Ti67. The as-deposited Nb layer before and after optimization were anodized in fluoride-base electrolyte for 300min. To crystallize the coatings, the anodically grown mixed oxide TiO 2 -Nb 2 O 5 -Al 2 O 3 nanotubes were annealed at 440°C for 30min. From the FESEM observations, the optimized adhesive Nb interlayer led to further homogeneity of mixed nanotube arrays. As a result of this surface modification, the anodized sample after annealing showed the highest mechanical, tribological, corrosion resistant and in-vitro bioactivity properties, where a thick bone-like apatite layer was formed on the mixed oxide nanotubes surface within 10 days immersion in simulated body fluid (SBF) after applied MOPSO. The novel results of this study can be effective in optimizing a variety of the surface properties of the nanostructured implants. Copyright © 2016 Elsevier Ltd. All rights reserved.

Experimental investigation of paraffin-based fuels for hybrid rocket propulsion

NASA Astrophysics Data System (ADS)

Galfetti, L.; Merotto, L.; Boiocchi, M.; Maggi, F.; DeLuca, L. T.

2013-03-01

Solid fuels for hybrid rockets were characterized in the framework of a research project aimed to develop a new generation of solid fuels, combining at the same time good mechanical and ballistic properties. Original techniques were implemented in order to improve paraffin-based fuels. The first strengthening technique involves the use of a polyurethane foam (PUF); a second technique is based on thermoplastic polymers mixed at molecular level with the paraffin binder. A ballistic characterization of paraffin-based hybrid rocket solid fuels was performed, considering pure wax-based fuels and fuels doped with suitable metal additives. Nano-Al powders and metal hydrides (magnesium hydride (MgH2), lithium aluminum hydride (LiAlH4 )) were used as fillers in paraffin matrices. The results of this investigation show a strong correlation between the measured viscosity of the melted paraffin layer and the regression rate: a decrease of viscosity increases the regression rate. This trend is due to the increasing development of entrainment phenomena, which strongly increase the regression rate. Addition of LiAlH4 (mass fraction 10%) can further increase the regression rate up to 378% with respect to the pure HTPB regression rate, taken as baseline reference fuel. The highest regression rates were found for the Solid Wax (SW) composition, added with 5% MgH2 mass fraction; at 350 kg/(m2s) oxygen mass flux, the measured regression rate, averaged in space and time, was 2.5 mm/s, which is approximately five times higher than that of the pure HTPB composition. Compositions added with nanosized aluminum powders were compared with those added with MgH2, using gel or solid wax.

Secondary ion mass spectrometric investigation on ruthenium oxide systems: a comparison between poly- and nanocrystalline deposits

PubMed

Barison; Barreca; Daolio; Fabrizio; Piccirillo

2000-01-01

The influence of different RuO(2) crystallite sizes was investigated by secondary ion mass spectrometry (SIMS) on the oxide deposited on various support materials (Ni, Ti, Al(2)O(3), oxidized Si(100)). In order to examine the effect of an oxidic environment on the film structure, RuO(2) 20%-TiO(2) 80% at. mixed oxide was deposited on Ti. The polycrystalline coatings were prepared by heating the Ru (and Ti)-containing solution dropped on the supports.1 RuO(2) nanocrystalline coatings were grown by chemical vapor deposition (CVD) from Ru(COD)(eta(3)-allyl)(2).2 The identification of mixed oxide clusters showed the higher reactivity of Ni and Al(2)O(3) over the other substrates. Diffusion and migration characteristics were observed to be influenced by the nature of the support. The results are complementary to those of a previous SIMS investigation.3 Copyright 2000 John Wiley & Sons, Ltd.

Transparent conductive oxide films mixed with gallium oxide nanoparticle/single-walled carbon nanotube layer for deep ultraviolet light-emitting diodes

PubMed Central

2013-01-01

We propose a transparent conductive oxide electrode scheme of gallium oxide nanoparticle mixed with a single-walled carbon nanotube (Ga2O3 NP/SWNT) layer for deep ultraviolet light-emitting diodes using spin and dipping methods. We investigated the electrical, optical and morphological properties of the Ga2O3 NP/SWNT layers by increasing the thickness of SWNTs via multiple dipping processes. Compared with the undoped Ga2O3 films (current level 9.9 × 10-9 A @ 1 V, transmittance 68% @ 280 nm), the current level flowing in the Ga2O3 NP/SWNT increased by approximately 4 × 105 times and the transmittance improved by 9% after 15 times dip-coating (current level 4 × 10-4 A at 1 V; transmittance 77.0% at 280 nm). These improvements result from both native high transparency of Ga2O3 NPs and high conductivity and effective current spreading of SWNTs. PMID:24295342

Evaluation of biochemical factors from mixed animal wastes feedstock in biogas production

USDA-ARS?s Scientific Manuscript database

Animal wastes can serve as the feedstock for biogas production (mainly methane) that could be used as alternative energy source. The green energy derived from animal wastes is considered to be carbon neutral and offsetting those generated from fossil fuels. In this study, an evaluation of methane ...

Chapter 10: Geographic information system landscape analysis using GTR 220 concepts

Treesearch

M. North; R.M. Boynton; P.A. Stine; K.F. Shipley; E.C. Underwood; N.E. Roth; J.H. Viers; J.F. Quinn

2012-01-01

Forest Service General Technical Report "An Ecosystem Management Strategy for Sierran Mixed-Conifer Forests" (hereafter GTR 220) (North et al. 2009) emphasizes increasing forest heterogeneity throughout a range of spatial scales including within-stand microsites, individual stands, watersheds, and entire landscapes. For fuels reduction, various landscape...

An ecosystem management strategy for Sierran mixed-conifer forests

Treesearch

Malcolm North; Peter Stine; Kevin O' Hara; William Zielinski; Scott Stephens

2009-01-01

Current Sierra Nevada forest management is often focused on strategically reducing fuels without an explicit strategy for ecological restoration across the landscape matrix. Summarizing recent scientific literature, we suggest managers produce different stand structures and densities across the landscape using topographic variables (i.e., slope shape, aspect, and slope...

Cathodic electrodeposition of mixed molybdenum tungsten oxides from peroxo-polymolybdotungstate solutions.

PubMed

Kondrachova, Lilia; Hahn, Benjamin P; Vijayaraghavan, Ganesh; Williams, Ryan D; Stevenson, Keith J

2006-12-05

Mixed molybdenum tungsten trioxide films of varying stoichiometry (MoxW1 - xO3, 0 < x < 1) were prepared by cathodic electrodeposition on indium tin oxide (ITO)-coated glass substrates from aqueous peroxo-polymolybdotungstate solutions. Electrochemical quartz crystal microbalance (EQCM), cyclic voltammetry, and chronocoulometry were used to gain insight into the electrodeposition mechanism. The compositional and structural properties were characterized for MoxW1 - xO3 films deposited at intermediate potentials (-0.35 V vs Ag/AgCl) and sintered at 250 degrees C using energy-dispersive spectroscopy, X-ray diffraction, and Raman spectroscopy. These studies reveal that films consist of homogeneously mixed MoxW1 - xO3, with an enriched Mo content ranging in composition from 0.4 < x < 0.7 depending upon the mol % Mo present in the deposition solution. Chronoamperometry and spectroelectrochemical measurements were conducted to estimate lithium ion diffusion coefficients and coloration efficiencies for the mixed metal oxide films in 1 M LiClO4/propylene carbonate. The subtle interplay between structural and compositional properties due to the uniform mixing of Mo and W oxide components shows that electrochromic and lithium ion transport properties are moderately enhanced relative to those of single-component WO3 and MoO3 and demonstrate improved structural stability over pure MoO3 polymorphs during electrochemical cycling.

Effect of biochemical factors from mixed animal wastes feedstock in biogas production

USDA-ARS?s Scientific Manuscript database

Animal wastes can serve as the feedstock for biogas production (mainly methane) that could be used as alternative energy source. The green energy derived from animal wastes is considered to be carbon neutral and offsetting those generated from fossil fuels. In this study, an evaluation of methane...

40 CFR 80.165 - Certification test procedures and standards.

Code of Federal Regulations, 2014 CFR

2014-07-01

... PROGRAMS (CONTINUED) REGULATION OF FUELS AND FUEL ADDITIVES Detergent Gasoline § 80.165 Certification test... additive is mixed in a test fuel meeting all relevant requirements of § 80.164, including the deposit... control testing. The required test fuel must produce no more than 5% flow restriction in any one injector...

Direct Observation of Virtual Electrode Formation Through a Novel Electrolyte-to-Electrode Transition

NASA Astrophysics Data System (ADS)

Siegel, David; El Gabaly, Farid; Bartelt, Norman; McCarty, Kevin

2014-03-01

Novel electrochemical solutions to problems in energy storage and transportation can drive renewable energy to become an economically viable alternative to fossil fuels. In many electrochemical systems, the behavior of a device can be fundamentally limited by the surface area of a triple phase boundary, the boundary region where a gas-phase species, electrode, and electrolyte coincide. When the electrode is an ionic insulator the triple phase boundary is typically a one-dimensional boundary with nanometer-scale thickness: ions cannot transport through the electrode, while electrons cannot be transported through the electrolyte. Here we present direct experimental measurements of a novel electrolyte-to-electrode transition with photoemission electron microscopy, and observe that the surface of an ionically conductive, electronically insulative solid oxide electrolyte undergoes a transition into a mixed electron-ion conductor in the vicinity of a metal electrode. Our direct experimental measurements allow us to characterize this system and address the mechanisms of ionic reactions and transport through comparisons with theoretical modeling to provide us with a physical picture of the processes involved. Our results provide insight into one of the mechanisms of ion transport in an electrochemical cell that may be generalizable to other systems.

Solid oxide fuel cell process and apparatus

DOEpatents

Cooper, Matthew Ellis [Morgantown, WV; Bayless, David J [Athens, OH; Trembly, Jason P [Durham, NC

2011-11-15

Conveying gas containing sulfur through a sulfur tolerant planar solid oxide fuel cell (PSOFC) stack for sulfur scrubbing, followed by conveying the gas through a non-sulfur tolerant PSOFC stack. The sulfur tolerant PSOFC stack utilizes anode materials, such as LSV, that selectively convert H.sub.2S present in the fuel stream to other non-poisoning sulfur compounds. The remaining balance of gases remaining in the completely or near H.sub.2S-free exhaust fuel stream is then used as the fuel for the conventional PSOFC stack that is downstream of the sulfur-tolerant PSOFC. A broad range of fuels such as gasified coal, natural gas and reformed hydrocarbons are used to produce electricity.

Molten salt electrodeposition of high temperature superconductors. Final report, 7 September 1990-30 November 1992

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

Tench, D.M.; Kendig, M.W.; Jeanjaquet, S.

1993-06-01

The overall objective of this project was to develop a process for direct electrodeposition of Y-Ba-Cu superconducting oxides from a molten salt at relatively low temperatures (300-550 deg C). An important finding was that cathodic deposition of metallic oxides, rather than free metals, generally occurs from nitrate melts, apparently via reduction of metal nitrato complexes. Oxide deposition was confirmed for Cu as CuO, Y as Y2O3, and Co as Co3O4, and apparently also occurs for Ba. Deposition of mixed Ba-Y-Cu oxides was demonstrated on both Cu and Pt substrates. Data were compiled that provide a good basis for designing schemesmore » for deposition of various mixed oxides from nitrate melts. A sequential anodic injection method was conceived for depositing ultrathin mixed oxide layers, which can be viewed as an analog of molecular beam epitaxy. Results obtained with this approach were encouraging but were inconclusive because of contamination with Gd from the Y injection anode. Based on the results of this program and literature studies, cathodic metal oxide deposition from nitrate melts is a general phenomenon that could ultimately prove to be a practical means of preparing a variety of single and mixed anhydrous metal oxide films. It is recommended that future work focus initially on deposition of perovskite materials, which are of considerable practical interest and involve only two metallic components so that the required deposition schemes are inherently simpler.« less

Structural characterization combined with the first principles simulations of barium/strontium cobaltite/ferrite as promising material for solid oxide fuel cells cathodes and high-temperature oxygen permeation membranes.

PubMed

Gangopadhayay, Shruba; Inerbaev, Talgat; Masunov, Artëm E; Altilio, Deanna; Orlovskaya, Nina

2009-07-01

Mixed ionic-electronic conducting perovskite type oxides with a general formula ABO(3) (where A = Ba, Sr, Ca and B = Co, Fe, Mn) often have high mobility of the oxygen vacancies and exhibit strong ionic conductivity. They are key materials that find use in several energy related applications, including solid oxide fuel cell (SOFC), sensors, oxygen separation membranes, and catalysts. Barium/strontium cobaltite/ferrite (BSCF) Ba(0.5)Sr(0.5)Co(0.8)Fe(0.2)O(3-delta) was recently identified as a promising candidate for cathode material in intermediate temperature SOFCs. In this work, we perform experimental and theoretical study of the local atomic structure of BSFC. Micro-Raman spectroscopy was performed to characterize the vibrational properties of BSCF. The Jahn-Teller distortion of octahedral coordination around Co(4+) cations was observed experimentally and explained theoretically. Different cations and oxygen vacancies ordering are examined using plane wave pseudopotential density functional theory. We find that cations are completely disordered, whereas oxygen vacancies exhibit a strong trend for aggregation in L-shaped trimer and square tetramer structure. On the basis of our results, we suggest a new explanation for BSCF phase stability. Instead of linear vacancy ordering, which must take place before the phase transition into brownmillerite structure, the oxygen vacancies in BSCF prefer to form the finite clusters and preserve the disordered cubic structure. This structural feature could be found only in the first-principles simulations and can not be explained by the effect of the ionic radii alone.

Reproducing kernel potential energy surfaces in biomolecular simulations: Nitric oxide binding to myoglobin

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

Soloviov, Maksym; Meuwly, Markus, E-mail: m.meuwly@unibas.ch

2015-09-14

Multidimensional potential energy surfaces based on reproducing kernel-interpolation are employed to explore the energetics and dynamics of free and bound nitric oxide in myoglobin (Mb). Combining a force field description for the majority of degrees of freedom and the higher-accuracy representation for the NO ligand and the Fe out-of-plane motion allows for a simulation approach akin to a mixed quantum mechanics/molecular mechanics treatment. However, the kernel-representation can be evaluated at conventional force-field speed. With the explicit inclusion of the Fe-out-of-plane (Fe-oop) coordinate, the dynamics and structural equilibrium after photodissociation of the ligand are correctly described compared to experiment. Experimentally, themore » Fe-oop coordinate plays an important role for the ligand dynamics. This is also found here where the isomerization dynamics between the Fe–ON and Fe–NO state is significantly affected whether or not this co-ordinate is explicitly included. Although the Fe–ON conformation is metastable when considering only the bound {sup 2}A state, it may disappear once the {sup 4}A state is included. This explains the absence of the Fe–ON state in previous experimental investigations of MbNO.« less

Thermal-mechanical performance modeling of thorium-plutonium oxide fuel and comparison with on-line irradiation data

NASA Astrophysics Data System (ADS)

Insulander Björk, Klara; Kekkonen, Laura

2015-12-01

Thorium-plutonium Mixed OXide (Th-MOX) fuel is considered for use in light water reactors fuel due to some inherent benefits over conventional fuel types in terms of neutronic properties. The good material properties of ThO2 also suggest benefits in terms of thermal-mechanical fuel performance, but the use of Th-MOX fuel for commercial power production demands that its thermal-mechanical behavior can be accurately predicted using a well validated fuel performance code. Given the scant operational experience with Th-MOX fuel, no such code is available today. This article describes the first phase of the development of such a code, based on the well-established code FRAPCON 3.4, and in particular the correlations reviewed and chosen for the fuel material properties. The results of fuel temperature calculations with the code in its current state of development are shown and compared with data from a Th-MOX test irradiation campaign which is underway in the Halden research reactor. The results are good for fresh fuel, whereas experimental complications make it difficult to judge the adequacy of the code for simulations of irradiated fuel.

In operando spectroscopic studies of high temperature electrocatalysts used for energy conversion

NASA Astrophysics Data System (ADS)

McIntyre, Melissa Dawn

Solid-state electrochemical cells are efficient energy conversion devices that can be used for clean energy production or for removing air pollutants from exhaust gas emitted by combustion processes. For example, solid oxide fuel cells generate electricity with low emissions from a variety of fuel sources; solid oxide electrolysis cells produce zero-emission H2 fuel; and solid-state DeNOx cells remove NOx gases from diesel exhaust. In order to maintain high conversion efficiencies, these systems typically operate at temperatures ≥ 500°C. The high operating temperatures, however, accelerate chemical and mechanical cell degradation. To improve device durability, a mechanistic understanding of the surface chemistry occurring at the cell electrodes (anode and cathode) is critical in terms of refining cell design, material selection and operation protocols. The studies presented herein utilized in operando Raman spectroscopy coupled with electrochemical measurements to directly correlate molecular/material changes with device performance in solid oxide cells under various operating conditions. Because excessive carbon accumulation with carbon-based fuels destroys anodes, the first three studies investigated strategies for mitigating carbon accumulation on Ni cermet anodes. Results from the first two studies showed that low amounts of solid carbon stabilized the electrical output and improved performance of solid oxide fuel cells operating with syn-gas (H 2/CO fuel mixture). The third study revealed that infiltrating anodes with Sn or BaO suppressed carbon accumulation with CH4 fuel and that H2O was the most effective reforming agent facilitating carbon removal. The last two studies explored how secondary phases formed in traditional solid oxide cell materials doped with metal oxides improve electrochemical performance. Results from the fourth study suggest that the mixed ion-electron conducting Zr5Ti7O24 secondary phase can expand the electrochemically active region and increase electrochemical activity in cermet electrodes. The final study of lanthanum strontium manganite cathodes infiltrated with BaO revealed the reversible decomposition/formation of a Ba3Mn2O8 secondary phase under applied potentials and proposed mechanisms for the enhanced electrocatalytic oxygen reduction associated with this compound under polarizing conditions. Collectively, these studies demonstrate that mechanistic information obtained from molecular/material specific techniques coupled with electrochemical measurements can be used to help optimize materials and operating conditions in solid-state electrochemical cells.

Investigation of Iron Oxide Morphology in a Cyclic Redox Water Splitting Process for Hydrogen Generation

PubMed Central

Bobek, Michael M.; Stehle, Richard C.; Hahn, David W.

2012-01-01

A solar fuels generation research program is focused on hydrogen production by means of reactive metal water splitting in a cyclic iron-based redox process. Iron-based oxides are explored as an intermediary reactive material to dissociate water molecules at significantly reduced thermal energies. With a goal of studying the resulting oxide chemistry and morphology, chemical assistance via CO is used to complete the redox cycle. In order to exploit the unique characteristics of highly reactive materials at the solar reactor scale, a monolithic laboratory scale reactor has been designed to explore the redox cycle at temperatures ranging from 675 to 875 K. Using high resolution scanning electron microscope (SEM) and electron dispersive X-ray spectroscopy (EDS), the oxide morphology and the oxide state are quantified, including spatial distributions. These images show the change of the oxide layers directly after oxidation and after reduction. The findings show a significant non-stoichiometric O/Fe gradient in the atomic ratio following oxidation, which is consistent with a previous kinetics model, and a relatively constant, non-stoichiometric O/Fe atomic ratio following reduction.

The Interface Between Chemical and Oxide Materials in the DSPEC

NASA Astrophysics Data System (ADS)

Meyer, Thomas; Alibabaei, Leila; Sherman, Benjamin; Sheridan, Matthew; Ashford, Dennis; Lapides, Alex; Brennaman, Kyle; Nayak, Animesh; Roy, Subhangi

Significant challenges exist for both chemical and oxide materials in the Dye Sensitized Photoelectrosynthesis Cell (DSPEC) for water oxidation or CO2 reduction. They arise from light absorption, the energetics of electron or hole injection, the accumulation of multiple redox equivalents at catalysts for water oxidation or water/CO2 reduction in competition with back electron transfer, and sustained, long term performance. These challenges are being met by the use of a variety of chromophores (metal complexes, organic dyes, porphyrins), broad application of nanoparticle mesoscopic oxide films, atomic layer deposition (ALD) to prepare core/shell and stabilizing overlayer structures, and recent advances in the molecular catalysis of water oxidation and CO2 reduction. UNC EFRC Center for Solar Fuels, an Energy Frontier Research Center funded by the U.S. Department of Energy, Office of Science, Office of Basic Energy Sciences under Award Number DE-SC0001011.

Analysis of plutonium isotope ratios including 238Pu/239Pu in individual U-Pu mixed oxide particles by means of a combination of alpha spectrometry and ICP-MS.

PubMed

Esaka, Fumitaka; Yasuda, Kenichiro; Suzuki, Daisuke; Miyamoto, Yutaka; Magara, Masaaki

2017-04-01

Isotope ratio analysis of individual uranium-plutonium (U-Pu) mixed oxide particles contained within environmental samples taken from nuclear facilities is proving to be increasingly important in the field of nuclear safeguards. However, isobaric interferences, such as 238 U with 238 Pu and 241 Am with 241 Pu, make it difficult to determine plutonium isotope ratios in mass spectrometric measurements. In the present study, the isotope ratios of 238 Pu/ 239 Pu, 240 Pu/ 239 Pu, 241 Pu/ 239 Pu, and 242 Pu/ 239 Pu were measured for individual Pu and U-Pu mixed oxide particles by a combination of alpha spectrometry and inductively coupled plasma mass spectrometry (ICP-MS). As a consequence, we were able to determine the 240 Pu/ 239 Pu, 241 Pu/ 239 Pu, and 242 Pu/ 239 Pu isotope ratios with ICP-MS after particle dissolution and chemical separation of plutonium with UTEVA resins. Furthermore, 238 Pu/ 239 Pu isotope ratios were able to be calculated by using both the 238 Pu/( 239 Pu+ 240 Pu) activity ratios that had been measured through alpha spectrometry and the 240 Pu/ 239 Pu isotope ratios determined through ICP-MS. Therefore, the combined use of alpha spectrometry and ICP-MS is useful in determining plutonium isotope ratios, including 238 Pu/ 239 Pu, in individual U-Pu mixed oxide particles. Copyright © 2016 Elsevier B.V. All rights reserved.

Cylinder-averaged histories of nitrogen oxide in a DI diesel with simulated turbocharging

NASA Astrophysics Data System (ADS)

Donahue, Ronald J.; Borman, Gary L.; Bower, Glenn R.

1994-10-01

An experimental study was conducted using the dumping technique (total cylinder sampling) to produce cylinder mass-averaged nitric oxide histories. Data were taken using a four stroke diesel research engine employing a quiescent chamber, high pressure direct injection fuel system, and simulated turbocharging. Two fuels were used to determine fuel cetane number effects. Two loads were run, one at an equivalence ratio of 0.5 and the other at a ratio of 0.3. The engine speed was held constant at 1500 rpm. Under the turbocharged and retarded timing conditions of this study, nitric oxide was produced up to the point of about 85% mass burned. Two different models were used to simulate the engine mn conditions: the phenomenological Hiroyasu spray-combustion model, and the three dimensional, U.W.-ERO modified KIVA-2 computational fluid dynamic code. Both of the models predicted the correct nitric oxide trend. Although the modified KIVA-2 combustion model using Zeldovich kinetics correctly predicted the shapes of the nitric oxide histories, it did not predict the exhaust concentrations without arbitrary adjustment based on experimental values.

MARMOT update for oxide fuel modeling

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

Zhang, Yongfeng; Schwen, Daniel; Chakraborty, Pritam

This report summarizes the lower-length-scale research and development progresses in FY16 at Idaho National Laboratory in developing mechanistic materials models for oxide fuels, in parallel to the development of the MARMOT code which will be summarized in a separate report. This effort is a critical component of the microstructure based fuel performance modeling approach, supported by the Fuels Product Line in the Nuclear Energy Advanced Modeling and Simulation (NEAMS) program. The progresses can be classified into three categories: 1) development of materials models to be used in engineering scale fuel performance modeling regarding the effect of lattice defects on thermal conductivity, 2) development of modeling capabilities for mesoscale fuel behaviors including stage-3 gas release, grain growth, high burn-up structure, fracture and creep, and 3) improved understanding in material science by calculating the anisotropic grain boundary energies in UOmore » $$_2$$ and obtaining thermodynamic data for solid fission products. Many of these topics are still under active development. They are updated in the report with proper amount of details. For some topics, separate reports are generated in parallel and so stated in the text. The accomplishments have led to better understanding of fuel behaviors and enhance capability of the MOOSE-BISON-MARMOT toolkit.« less

Note: Application of CR-39 plastic nuclear track detectors for quality assurance of mixed oxide fuel pellets

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

Kodaira, S., E-mail: koda@nirs.go.jp; Kurano, M.; Hosogane, T.

A CR-39 plastic nuclear track detector was used for quality assurance of mixed oxide fuel pellets for next-generation nuclear power plants. Plutonium (Pu) spot sizes and concentrations in the pellets are significant parameters for safe use in the plants. We developed an automatic Pu detection system based on dense α-radiation tracks in the CR-39 detectors. This system would greatly improve image processing time and measurement accuracy, and will be a powerful tool for rapid pellet quality assurance screening.

Lowering the temperature of solid oxide fuel cells.

PubMed

Wachsman, Eric D; Lee, Kang Taek

2011-11-18

Fuel cells are uniquely capable of overcoming combustion efficiency limitations (e.g., the Carnot cycle). However, the linking of fuel cells (an energy conversion device) and hydrogen (an energy carrier) has emphasized investment in proton-exchange membrane fuel cells as part of a larger hydrogen economy and thus relegated fuel cells to a future technology. In contrast, solid oxide fuel cells are capable of operating on conventional fuels (as well as hydrogen) today. The main issue for solid oxide fuel cells is high operating temperature (about 800°C) and the resulting materials and cost limitations and operating complexities (e.g., thermal cycling). Recent solid oxide fuel cells results have demonstrated extremely high power densities of about 2 watts per square centimeter at 650°C along with flexible fueling, thus enabling higher efficiency within the current fuel infrastructure. Newly developed, high-conductivity electrolytes and nanostructured electrode designs provide a path for further performance improvement at much lower temperatures, down to ~350°C, thus providing opportunity to transform the way we convert and store energy.

The effects of mixed layer dynamics on ice growth in the central Arctic

NASA Astrophysics Data System (ADS)

Kitchen, Bruce R.

1992-09-01

The thermodynamic model of Thorndike (1992) is coupled to a one dimensional, two layer ocean entrainment model to study the effect of mixed layer dynamics on ice growth and the variation in the ocean heat flux into the ice due to mixed layer entrainment. Model simulations show the existence of a negative feedback between the ice growth and the mixed layer entrainment, and that the underlying ocean salinity has a greater effect on the ocean beat flux than does variations in the underlying ocean temperature. Model simulations for a variety of surface forcings and initial conditions demonstrate the need to include mixed layer dynamics for realistic ice prediction in the arctic.

SNW 2000 Proceedings. Oxide Thickness Variation Induced Threshold Voltage Fluctuations in Decanano MOSFETs: a 3D Density Gradient Simulation Study

NASA Technical Reports Server (NTRS)

Asenov, Asen; Kaya, S.; Davies, J. H.; Saini, S.

2000-01-01

We use the density gradient (DG) simulation approach to study, in 3D, the effect of local oxide thickness fluctuations on the threshold voltage of decanano MOSFETs in a statistical manner. A description of the reconstruction procedure for the random 2D surfaces representing the 'atomistic' Si-SiO2 interface variations is presented. The procedure is based on power spectrum synthesis in the Fourier domain and can include either Gaussian or exponential spectra. The simulations show that threshold voltage variations induced by oxide thickness fluctuation become significant when the gate length of the devices become comparable to the correlation length of the fluctuations. The extent of quantum corrections in the simulations with respect to the classical case and the dependence of threshold variations on the oxide thickness are examined.

How should greenhouse gas emissions be taken into account in the decision making of municipal solid waste management procurements? A case study of the South Karelia region, Finland

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

Hupponen, M., E-mail: mari.hupponen@lut.fi; Grönman, K.; Horttanainen, M.

Highlights: • Environmental criteria for the MSW incineration location procurements are needed. • Focus should be placed on annual energy efficiency and on substitute fuels. • In SRF combustion it is crucial to know the share and the treatment of rejects. • The GWP of transportation is a small part of the total emissions. - Abstract: The ongoing trend in the public sector is to make more sustainable procurements by taking into account the impacts throughout the entire life cycle of the procurement. Despite the trend, the only deciding factor can still be the total costs. This article answers themore » question of how greenhouse gas (GHG) emissions should be taken into account in municipal solid waste (MSW) management when selecting an incineration plant for source separated mixed MSW. The aim is to guide the decision making of MSW management towards more environmentally friendly procurements. The study was carried out by calculating the global warming potentials (GWPs) and costs of mixed MSW management by using the waste composition from a case area in Finland. Scenarios of landfilling and combustion in three actual waste incineration plants were used to recognise the main processes that affect the results. GWP results show that the combustion of mixed MSW is a better alternative than landfilling the waste. The GHG results from combustion are greatly affected by emissions from the combustion and substituted energy production. The significance of collection and transportation is higher from the costs’ perspective than from the point of view of GHG emissions. The main costs, in addition to collection and transportation costs, result from the energy utilization or landfilling of mixed MSW. When tenders are invited for the incineration location of mixed MSW, the main focus should be: What are the annual electricity and heat recovery efficiencies and which are the substituted fuels in the area? In addition, in the case of a fluidized bed combustor it is crucial to know the combusted share of mixed MSW after preparing solid recovered fuel (SRF) and the treatment of rejects. The environmental criteria for the waste incineration plant procurements should be made in order to obtain clear instructions for the procurement units. The results can also be utilized more widely. The substituted fuels in the area and the effect of the plant location on the utilization of the produced energy can already be identified when planning an appropriate site for the waste incineration plant.« less

Discovery of Fe–Ce Oxide/BiVO 4 Photoanodes through Combinatorial Exploration of Ni–Fe–Co–Ce Oxide Coatings

DOE PAGES

Shinde, Aniketa; Guevarra, Dan; Liu, Guiji; ...

2016-08-23

An efficient photoanode is a prerequisite for a viable solar fuels technology. The challenges to realizing an efficient photoanode include the integration of a semiconductor light absorber and a metal oxide electrocatalyst to optimize corrosion protection, light trapping, hole transport, and photocarrier recombination sites. In order to efficiently explore metal oxide coatings, we employ a high throughput methodology wherein a uniform BiVO 4 film is coated with 858 unique metal oxide coatings covering a range of metal oxide loadings and the full (Ni-Fe-Co-Ce)Ox pseudo-quaternary composition space. Photoelectrochemical characterization of the photoanodes reveals that specific combinations of metal oxide composition andmore » loading provide up to a 13-fold increase in the maximum photoelectrochemical power generation for oxygen evolution in pH 13 electrolyte. Through mining of the high throughput data we identify composition regions that form improved interfaces with BiVO 4. Of particular note, integrated photoanodes with catalyst compositions in the range Fe (0.4-0.6)Ce (0.6-0.4)O x exhibit high interface quality and excellent photoelectrochemical power conversion. Furthermore, for scaled-up inkjet-printed electrodes and photoanodic electrodeposition of this composition on BiVO 4 we can confirm the discovery and the synthesis-independent interface improvement of (Fe-Ce)O x coatings on BiVO 4.« less

EBR-II high-ramp transients under computer control

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

Forrester, R.J.; Larson, H.A.; Christensen, L.J.

1983-01-01

During reactor run 122, EBR-II was subjected to 13 computer-controlled overpower transients at ramps of 4 MWt/s to qualify the facility and fuel for transient testing of LMFBR oxide fuels as part of the EBR-II operational-reliability-testing (ORT) program. A computer-controlled automatic control-rod drive system (ACRDS), designed by EBR-II personnel, permitted automatic control on demand power during the transients.

Nanoroses of nickel oxides: synthesis, electron tomography study, and application in CO oxidation and energy storage.

PubMed

Fihri, Aziz; Sougrat, Rachid; Rakhi, Raghavan Baby; Rahal, Raed; Cha, Dongkyu; Hedhili, Mohamed Nejib; Bouhrara, Mohamed; Alshareef, Husam N; Polshettiwar, Vivek

2012-07-01

Nickel oxide and mixed-metal oxide structures were fabricated by using microwave irradiation in pure water. The nickel oxide self-assembled into unique rose-shaped nanostructures. These nickel oxide roses were studied by performing electron tomography with virtual cross-sections through the particles to understand their morphology from their interior to their surface. These materials exhibited promising performance as nanocatalysts for CO oxidation and in energy storage devices. Copyright © 2012 WILEY-VCH Verlag GmbH & Co. KGaA, Weinheim.

Analyses of Fatigue Crack Growth and Closure Near Threshold Conditions for Large-Crack Behavior

NASA Technical Reports Server (NTRS)

Newman, J. C., Jr.

1999-01-01

A plasticity-induced crack-closure model was used to study fatigue crack growth and closure in thin 2024-T3 aluminum alloy under constant-R and constant-K(sub max) threshold testing procedures. Two methods of calculating crack-opening stresses were compared. One method was based on a contact-K analyses and the other on crack-opening-displacement (COD) analyses. These methods gave nearly identical results under constant-amplitude loading, but under threshold simulations the contact-K analyses gave lower opening stresses than the contact COD method. Crack-growth predictions tend to support the use of contact-K analyses. Crack-growth simulations showed that remote closure can cause a rapid rise in opening stresses in the near threshold regime for low-constraint and high applied stress levels. Under low applied stress levels and high constraint, a rise in opening stresses was not observed near threshold conditions. But crack-tip-opening displacement (CTOD) were of the order of measured oxide thicknesses in the 2024 alloy under constant-R simulations. In contrast, under constant-K(sub max) testing the CTOD near threshold conditions were an order-of-magnitude larger than measured oxide thicknesses. Residual-plastic deformations under both constant-R and constant-K(sub max) threshold simulations were several times larger than the expected oxide thicknesses. Thus, residual-plastic deformations, in addition to oxide and roughness, play an integral part in threshold development.

Impact of Dynamic Specimen Shape Evolution on the Atom Probe Tomography Results of Doped Epitaxial Oxide Multilayers: Comparison of Experiment and Simulation

DOE PAGES

Madaan, Nitesh; Bao, Jie; Nandasiri, Manjula I.; ...

2015-08-31

The experimental atom probe tomography results from two different specimen orientations (top-down and side-ways) of a high oxygen ion conducting Samaria-doped-ceria/Scandia-stabilized-zirconia multilayer thin film solid oxide fuel cell electrolyte was correlated with level-set method based field evaporation simulations for the same specimen orientations. This experiment-theory correlation explains the dynamic specimen shape evolution and ion trajectory aberrations that can induce density artifacts in final reconstruction leading to inaccurate estimation of interfacial intermixing. This study highlights the need and importance of correlating experimental results with field evaporation simulations when using atom probe tomography for studying oxide heterostructure interfaces.

Fragmentation-based QM/MM simulations: length dependence of chain dynamics and hydrogen bonding of polyethylene oxide and polyethylene in aqueous solutions.

PubMed

Li, Hui; Li, Wei; Li, Shuhua; Ma, Jing

2008-06-12

Molecular fragmentation quantum mechanics (QM) calculations have been combined with molecular mechanics (MM) to construct the fragmentation QM/MM method for simulations of dilute solutions of macromolecules. We adopt the electrostatics embedding QM/MM model, where the low-cost generalized energy-based fragmentation calculations are employed for the QM part. Conformation energy calculations, geometry optimizations, and Born-Oppenheimer molecular dynamics simulations of poly(ethylene oxide), PEO(n) (n = 6-20), and polyethylene, PE(n) ( n = 9-30), in aqueous solution have been performed within the framework of both fragmentation and conventional QM/MM methods. The intermolecular hydrogen bonding and chain configurations obtained from the fragmentation QM/MM simulations are consistent with the conventional QM/MM method. The length dependence of chain conformations and dynamics of PEO and PE oligomers in aqueous solutions is also investigated through the fragmentation QM/MM molecular dynamics simulations.

Low NOx Heavy Fuel Combustor Concept Program

NASA Technical Reports Server (NTRS)

Novick, A. S.; Troth, D. L.

1981-01-01

The development of the technology required to operate an industrial gas turbine combustion system on minimally processed, heavy petroleum or residual fuels having high levels of fuel-bound nitrogen (FBN) while producing acceptable levels of exhaust emissions is discussed. Three combustor concepts were designed and fabricated. Three fuels were supplied for the combustor test demonstrations: a typical middle distillate fuel, a heavy residual fuel, and a synthetic coal-derived fuel. The primary concept was an air staged, variable-geometry combustor designed to produce low emissions from fuels having high levels of FBN. This combustor used a long residence time, fuel-rich primary combustion zone followed by a quick-quench air mixer to rapidly dilute the fuel rich products for the fuel-lean final burnout of the fuel. This combustor, called the rich quench lean (RQL) combustor, was extensively tested using each fuel over the entire power range of the model 570 K engine. Also, a series of parameteric tests was conducted to determine the combustor's sensitivity to rich-zone equivalence ratio, lean-zone equivalence ratio, rich-zone residence time, and overall system pressure drop. Minimum nitrogen oxide emissions were measured at 50 to 55 ppmv at maximum continuous power for all three fuels. Smoke was less than a 10 SAE smoke number.

1986 fuel cell seminar: Program and abstracts

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

None

1986-10-01

Ninety nine brief papers are arranged under the following session headings: gas industry's 40 kw program, solid oxide fuel cell technology, phosphoric acid fuel cell technology, molten carbonate fuel cell technology, phosphoric acid fuel cell systems, power plants technology, fuel cell power plant designs, unconventional fuels, fuel cell application and economic assessments, and plans for commerical development. The papers are processed separately for the data base. (DLC)

Crystal Growth and Characterization of THO2 and UxTh1-xO2

DTIC Science & Technology

2013-03-01

bulk actinide crystals would open up new possibilities for the detection of weapons of mass destruction, the study of the effect of aging on...way of growing bulk actinide materials of optical quality. These refractory oxide single crystals offer potential applications in thorium nuclear...fuel technology, wide-band-gap uranium-based direct-conversion solid state neutron detectors, and understanding how actinide fuels age with time. ThO2

Surface Properties of Titanium dioxide and its Structural Modifications by Reactions with Transition Metals

NASA Astrophysics Data System (ADS)

Halpegamage, Sandamali

Surfaces of metal oxides play a vital role in many technologically important applications. The surfaces of titanium dioxide, in particular, show quite promising properties that can be utilized in solid-state gas sensing and photocatalysis applications. In the first part of this dissertation we investigate these properties of TiO2 surfaces through a vigorous surface scientific approach. In the second part, we investigate the possibilities of modifying the TiO2 surfaces by depositing multi-component transition metal oxide monolayers so that the properties of bare TiO2 surface can be influenced in a beneficial way. For instance, via formation of new surface sites or cations that have different valance states, the chemisorption and catalytic properties can be modified. We use sophisticated experimental surface science techniques that are compatible with ultra-high vacuum technology for surface characterization. All the experimental results, except for the photocatalysis experiments, were compared to and verified by supporting DFT-based theoretical results produced by our theory collaborators. TiO2 based solid-state gas sensors have been used before for detecting trace amounts of explosives such as 2,4-dinitrololuene (DNT), a toxic decomposition product of the explosive 2,4,6-trinitrotoluene (TNT) that have very low vapor pressure. However, the adsorption, desorption and reaction mechanism were not well- understood. Here, we investigate 2,4-DNT adsorption on rutile-TiO2(110) surface in order to gain insight about these mechanisms in an atomistic level and we propose an efficient way of desorbing DNT from the surface through UV-light induced photoreactions. TiO2 exists in different polymorphs and the photocatalytic activity differs from one polymorph to another. Rutile and anatase are the most famous forms of TiO2 in photocatalysis and anatase is known to show higher activity than rutile. The photoactivity also varies depending on the surface orientation for the same polymorph. So far, a reasonable explanation as to why these differences exist was not reported. In our studies, we used high quality epitaxial rutile and anatase thin films which enabled isolating the surface effects from the bulk effects and show that it is the difference between the charge carrier diffusion lengths that causes this difference in activities. In addition to that, using different surface orientations of rutile-TiO 2, we show that the anisotropic bulk charge carrier mobility may contribute to the orientation dependent photoactivity. Moreover, we show that different surface preparation methods also affect the activity of the sample and vacuum reduction results in an enhanced activity. In an effort to modify the TiO2 surfaces with monolayer/mixed monolayer oxides, we carried out experiments on (011) orientation of single crystal rutile TiO2 with few of the selected transition metal oxides namely Fe, V, Cr and Ni. We found that for specific oxidation conditions a monolayer mixed oxide is formed for all M (M= Fe, V, Cr, Ni), with one common structure with the composition MTi2O5. For small amounts of M the surface segregates into pure TiO2(011)-2x1 and into domains of MTi2O5 indicating that this mixed monolayer oxide is a low energy line phase in a compositional surface phase diagram. The oxygen pressure required for the formation of this unique monolayer structure increases in the order of V

High temperature regenerable hydrogen sulfide removal agents

DOEpatents

Copeland, Robert J.

1993-01-01

A system for high temperature desulfurization of coal-derived gases using regenerable sorbents. One sorbent is stannic oxide (tin oxide, SnO.sub.2), the other sorbent is a metal oxide or mixed metal oxide such as zinc ferrite (ZnFe.sub.2 O.sub.4). Certain otherwise undesirable by-products, including hydrogen sulfide (H.sub.2 S) and sulfur dioxide (SO.sub.2) are reused by the system, and elemental sulfur is produced in the regeneration reaction. A system for refabricating the sorbent pellets is also described.

Analytical Transmission Electron Microscopy Studies on Copper-Alumina Interfaces.

DTIC Science & Technology

1999-06-01

association with alumina, such as, copper, aluminum, chromium, silver, and gold . In particular, copper has been chosen because of its excellent...similar results in variance. However, the oxide calculation program assumes that all elements are 100% oxidized with no monoatomic species or mixed oxide

76 FR 70955 - Helena Nation Forest: Dalton Mountain Forest Restoration & Fuels Reduction Project

Federal Register 2010, 2011, 2012, 2013, 2014

2011-11-16

... allow reestablishment of controlled periodic fire; and capturing the value of removed trees in an... mixed-severity fire regime that is dominated by lodgepole pine. Tree mortality from a mountain pine... other tree species native to the area including aspen, whitebark pine, and ponderosa pine do not occur...

Discovery of Fe–Ce Oxide/BiVO 4 Photoanodes through Combinatorial Exploration of Ni–Fe–Co–Ce Oxide Coatings

DOE PAGES

Shinde, Aniketa; Guevarra, Dan; Liu, Guiji; ...

2016-08-23

An efficient photoanode is a prerequisite for a viable solar fuels technology. The challenges to realizing an efficient photoanode include the integration of a semiconductor light absorber and a metal oxide electrocatalyst to optimize corrosion protection, light trapping, hole transport, and photocarrier recombination sites. In order to efficiently explore metal oxide coatings, we employ a high throughput methodology wherein a uniform BiVO 4 film is coated with 858 unique metal oxide coatings covering a range of metal oxide loadings and the full (Ni-Fe-Co-Ce)O x pseudo-quaternary composition space. Photoelectrochemical characterization of the photoanodes reveals that specific combinations of metal oxide compositionmore » and loading provide up to a 13-fold increase in the maximum photoelectrochemical power generation for oxygen evolution in pH 13 electrolyte. Through mining of the high throughput data we identify composition regions that form improved interfaces with BiVO 4. Of particular note, integrated photoanodes with catalyst compositions in the range Fe (0.4-0.6)Ce (0.6-0.4)O x exhibit high interface quality and excellent photoelectrochemical power conversion. Furthermore, for scaled-up inkjet-printed electrodes and photoanodic electrodeposition of this composition on BiVO 4 we can confirm the discovery and the synthesis-independent interface improvement of (Fe-Ce)O x coatings on BiVO 4.« less

Molecular Level Coating for Metal Oxide Particles

NASA Technical Reports Server (NTRS)

McDaniel, Patricia R. (Inventor); Saint Clair, Terry L. (Inventor)

2000-01-01

Polymer encapsulated metal oxide particles are prepared by combining a polyamide acid in a polar aprotic solvent with a metal alkoxide solution. The polymer was imidized and the metal oxide formed simultaneously in a refluxing organic solvent. The resulting polymer-metal oxide is an intimately mixed commingled blend, possessing synergistic properties of both the polymer and preceramic metal oxide. The encapsulated metal oxide particles have multiple uses including, being useful in the production of skin lubricating creams, weather resistant paints, as a filler for paper, making ultraviolet light stable filled printing ink, being extruded into fibers or ribbons, and coatings for fibers used in the production of composite structural panels.

Impacts of ruminal microorganisms on the production of fuels: how can we intercede from the outside?

USDA-ARS?s Scientific Manuscript database

The ruminal microbiome rapidly converts plant biomass to short-chain fatty acids (SCFA) that nourish the ruminant animal host. Because of its high species diversity, functional redundancy, and ease of in vitro (extraruminal) cultivation, this mixed microbial community can be regarded as a particular...

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...

ZEOLITE-SILICONE RUBBER MIXED MATRIX MEMBRANES: EFFECT OF SILICONE COMPONENT SELECTION ON ETHANOL-WATER PERVAPORATION

EPA Science Inventory

Production of fuel-grade ethanol from renewable resources, such as biomass, is gaining attention due to the phase out of methyl t-butyl ether (MTBE) as a fuel oxygenate, national security issues related to non-domestic sources of fuels, and the effect of fossil fuel combustion on...

SELECTIVE RECOVERY OF ETHANOL FROM WATER BY PERVAPORATION: ZEOLITE-SILICONE RUBBER MIXED MATRIX MEMBRANES

EPA Science Inventory

The production of fuel-grade ethanol from renewable resources, such as biomass, is gaining attention due to the phase out of methyl t-butyl ether (MTBE) as a fuel oxygenate, national security issues related to non-domestic sources of fuels, and the effect of fossil fuel combustio...

Preliminary Modeling of Accident Tolerant Fuel Concepts under Accident Conditions

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

Gamble, Kyle A.; Hales, Jason D.

2016-12-01

The catastrophic events that occurred at the Fukushima-Daiichi nuclear power plant in 2011 have led to widespread interest in research of alternative fuels and claddings that are proposed to be accident tolerant. Thus, the United States Department of Energy through its NEAMS (Nuclear Energy Advanced Modeling and Simulation) program has funded an Accident Tolerant Fuel (ATF) High Impact Problem (HIP). The ATF HIP is funded for a three-year period. The purpose of the HIP is to perform research into two potential accident tolerant concepts and provide an in-depth report to the Advanced Fuels Campaign (AFC) describing the behavior of themore » concepts, both of which are being considered for inclusion in a lead test assembly scheduled for placement into a commercial reactor in 2022. The initial focus of the HIP is on uranium silicide fuel and iron-chromium-aluminum (FeCrAl) alloy cladding. Utilizing the expertise of three national laboratory participants (INL, LANL, and ANL) a comprehensive mulitscale approach to modeling is being used including atomistic modeling, molecular dynamics, rate theory, phase-field, and fuel performance simulations. In this paper, we present simulations of two proposed accident tolerant fuel systems: U3Si2 fuel with Zircaloy-4 cladding, and UO2 fuel with FeCrAl cladding. The simulations investigate the fuel performance response of the proposed ATF systems under Loss of Coolant and Station Blackout conditions using the BISON code. Sensitivity analyses are completed using Sandia National Laboratories’ DAKOTA software to determine which input parameters (e.g., fuel specific heat) have the greatest influence on the output metrics of interest (e.g., fuel centerline temperature). Early results indicate that each concept has significant advantages as well as areas of concern. Further work is required prior to formulating the proposition report for the Advanced Fuels Campaign.« less

Detailed Analysis of Criteria and Particle Emissions from a Very Large Crude Carrier Using a Novel ECA Fuel.

PubMed

Gysel, Nicholas R; Welch, William A; Johnson, Kent; Miller, Wayne; Cocker, David R

2017-02-07

Ocean going vessels (OGVs) operating within emission control areas (ECA) are required to use fuels with ≤0.1 wt % sulfur. Up to now only distillate fuels could meet the sulfur limits. Recently refiners created a novel low-sulfur heavy-fuel oil (LSHFO) meeting the sulfur limits so questions were posed whether nitric oxide (NO x ) and particulate matter (PM) emissions were the same for the two fuels. This project characterized criteria pollutants and undertook a detailed analysis of PM emissions from a very large crude oil carrier (VLCC) using a distillate ECA fuel (MGO) and novel LSHFO. Results showed emission factors of NO x were ∼5% higher with MGO than LSHFO. PM 2.5 emission factors were ∼3 times higher with LSHFO than MGO, while both were below values reported by Lloyds, U.S. EPA and CARB. A detailed analysis of PM revealed it was >90% organic carbon (OC) for both fuels. Elemental carbon (EC) and soot measured with an AVL microsoot sensor (MSS) reflected black carbon. PM size distributions showed unimodal peaks for both MGO (20-30 nm) and LSHFO (30-50 nm). Particle number (PN) emissions were 28% and 17% higher with the PPS-M compared to the SMPS for LSHFO and MGO, respectively.

Thermodynamic and achievable efficiencies for solar-driven electrochemical reduction of carbon dioxide to transportation fuels.

PubMed

Singh, Meenesh R; Clark, Ezra L; Bell, Alexis T

2015-11-10

Thermodynamic, achievable, and realistic efficiency limits of solar-driven electrochemical conversion of water and carbon dioxide to fuels are investigated as functions of light-absorber composition and configuration, and catalyst composition. The maximum thermodynamic efficiency at 1-sun illumination for adiabatic electrochemical synthesis of various solar fuels is in the range of 32-42%. Single-, double-, and triple-junction light absorbers are found to be optimal for electrochemical load ranges of 0-0.9 V, 0.9-1.95 V, and 1.95-3.5 V, respectively. Achievable solar-to-fuel (STF) efficiencies are determined using ideal double- and triple-junction light absorbers and the electrochemical load curves for CO2 reduction on silver and copper cathodes, and water oxidation kinetics over iridium oxide. The maximum achievable STF efficiencies for synthesis gas (H2 and CO) and Hythane (H2 and CH4) are 18.4% and 20.3%, respectively. Whereas the realistic STF efficiency of photoelectrochemical cells (PECs) can be as low as 0.8%, tandem PECs and photovoltaic (PV)-electrolyzers can operate at 7.2% under identical operating conditions. We show that the composition and energy content of solar fuels can also be adjusted by tuning the band-gaps of triple-junction light absorbers and/or the ratio of catalyst-to-PV area, and that the synthesis of liquid products and C2H4 have high profitability indices.

Thermodynamic and achievable efficiencies for solar-driven electrochemical reduction of carbon dioxide to transportation fuels

NASA Astrophysics Data System (ADS)

Singh, Meenesh R.; Clark, Ezra L.; Bell, Alexis T.

2015-11-01

Thermodynamic, achievable, and realistic efficiency limits of solar-driven electrochemical conversion of water and carbon dioxide to fuels are investigated as functions of light-absorber composition and configuration, and catalyst composition. The maximum thermodynamic efficiency at 1-sun illumination for adiabatic electrochemical synthesis of various solar fuels is in the range of 32-42%. Single-, double-, and triple-junction light absorbers are found to be optimal for electrochemical load ranges of 0-0.9 V, 0.9-1.95 V, and 1.95-3.5 V, respectively. Achievable solar-to-fuel (STF) efficiencies are determined using ideal double- and triple-junction light absorbers and the electrochemical load curves for CO2 reduction on silver and copper cathodes, and water oxidation kinetics over iridium oxide. The maximum achievable STF efficiencies for synthesis gas (H2 and CO) and Hythane (H2 and CH4) are 18.4% and 20.3%, respectively. Whereas the realistic STF efficiency of photoelectrochemical cells (PECs) can be as low as 0.8%, tandem PECs and photovoltaic (PV)-electrolyzers can operate at 7.2% under identical operating conditions. We show that the composition and energy content of solar fuels can also be adjusted by tuning the band-gaps of triple-junction light absorbers and/or the ratio of catalyst-to-PV area, and that the synthesis of liquid products and C2H4 have high profitability indices.

Mixed-conifer understory response to climate change, nitrogen, and fire

Treesearch

Matthew Hurteau; Malcom North

2008-01-01

California’s Sierra Nevada mountains are predicted to experience greater variation in annual precipitation according to climate change models, while nitrogen deposition from pollution continues to increase. These changes may significantly affect understory communities and fuels in forests where managers are attempting to restore historic conditions after a century of...

Influence of prescribed fire on carabid beetle (Carabidae) and spider (Araneae) assemblages in forest litter in southwestern Oregon.

Treesearch

Christine G. Niwa; Robert W. Peck

2002-01-01

The objective of this study was to determine if prescribed fire affects spider (Araneae) and carabid beetle (Carabidae) abundance, and whether the magnitude of this effect varies with time since fire. Within mixed conifer stands; nine understory fuels-reduction burns, ranging from

Multiscale model of metal alloy oxidation at grain boundaries

NASA Astrophysics Data System (ADS)

Sushko, Maria L.; Alexandrov, Vitaly; Schreiber, Daniel K.; Rosso, Kevin M.; Bruemmer, Stephen M.

2015-06-01

High temperature intergranular oxidation and corrosion of metal alloys is one of the primary causes of materials degradation in nuclear systems. In order to gain insights into grain boundary oxidation processes, a mesoscale metal alloy oxidation model is established by combining quantum Density Functional Theory (DFT) and mesoscopic Poisson-Nernst-Planck/classical DFT with predictions focused on Ni alloyed with either Cr or Al. Analysis of species and fluxes at steady-state conditions indicates that the oxidation process involves vacancy-mediated transport of Ni and the minor alloying element to the oxidation front and the formation of stable metal oxides. The simulations further demonstrate that the mechanism of oxidation for Ni-5Cr and Ni-4Al is qualitatively different. Intergranular oxidation of Ni-5Cr involves the selective oxidation of the minor element and not matrix Ni, due to slower diffusion of Ni relative to Cr in the alloy and due to the significantly smaller energy gain upon the formation of nickel oxide compared to that of Cr2O3. This essentially one-component oxidation process results in continuous oxide formation and a monotonic Cr vacancy distribution ahead of the oxidation front, peaking at alloy/oxide interface. In contrast, Ni and Al are both oxidized in Ni-4Al forming a mixed spinel NiAl2O4. Different diffusivities of Ni and Al give rise to a complex elemental distribution in the vicinity of the oxidation front. Slower diffusing Ni accumulates in the oxide and metal within 3 nm of the interface, while Al penetrates deeper into the oxide phase. Ni and Al are both depleted from the region 3-10 nm ahead of the oxidation front creating voids. The oxide microstructure is also different. Cr2O3 has a plate-like structure with 1.2-1.7 nm wide pores running along the grain boundary, while NiAl2O4 has 1.5 nm wide pores in the direction parallel to the grain boundary and 0.6 nm pores in the perpendicular direction providing an additional pathway for oxygen diffusion through the oxide. The proposed theoretical methodology provides a framework for modeling metal alloy oxidation processes from first principles and on the experimentally relevant length scales.

Evolution of the fastest-growing relativistic mixed mode instability driven by a tenuous plasma beam in one and two dimensions

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

Dieckmann, M. E.; Frederiksen, J. T.; Bret, A.

2006-11-15

Particle-in-cell simulations confirm here that a mixed plasma mode is the fastest growing when a highly relativistic tenuous electron-proton beam interacts with an unmagnetized plasma. The mixed modes grow faster than the filamentation and two-stream modes in simulations with beam Lorentz factors {gamma} of 4, 16, and 256, and are responsible for thermalizing the electrons. The mixed modes are followed to their saturation for the case of {gamma}=4 and electron phase space holes are shown to form in the bulk plasma, while the electron beam becomes filamentary. The initial saturation is electrostatic in nature in the considered one- and two-dimensionalmore » geometries. Simulations performed with two different particle-in-cell simulation codes evidence that a finite grid instability couples energy into high-frequency electromagnetic waves, imposing simulation constraints.« less

Molecular Level Coating of Metal Oxide Particles

NASA Technical Reports Server (NTRS)

McDaniel, Patricia R. (Inventor); St.Clair, Terry L. (Inventor)

2002-01-01

Polymer encapsulated metal oxide particles are prepared by combining a polyamide acid in a polar osmotic solvent with a metal alkoxide solution. The polymer was imidized and the metal oxide formed simultaneously in a refluxing organic solvent. The resulting polymer-metal oxide is an intimately mixed commingled blend, possessing, synergistic properties of both the polymer and preceramic metal oxide. The encapsulated metal oxide particles have multiple uses including, being useful in the production of skin lubricating creams, weather resistant paints, as a filler for paper. making ultraviolet light stable filled printing ink, being extruded into fibers or ribbons, and coatings for fibers used in the production of composite structural panels.

Fuel Cell Power Plant Initiative. Volume 2; Preliminary Design of a Fixed-Base LFP/SOFC Power System

NASA Technical Reports Server (NTRS)

Veyo, S.E.

1997-01-01

This report documents the preliminary design for a military fixed-base power system of 3 MWe nominal capacity using Westinghouse's tubular Solid Oxide Fuel Cell [SOFC] and Haldor Topsoe's logistic fuels processor [LFP]. The LFP provides to the fuel cell a methane rich sulfur free fuel stream derived from either DF-2 diesel fuel, or JP-8 turbine fuel. Fuel cells are electrochemical devices that directly convert the chemical energy contained in fuels such as hydrogen, natural gas, or coal gas into electricity at high efficiency with no intermediate heat engine or dynamo. The SOFC is distinguished from other fuel cell types by its solid state ceramic structure and its high operating temperature, nominally 1000'C. The SOFC pioneered by Westinghouse has a tubular geometry closed at one end. A power generation stack is formed by aggregating many cells in an ordered array. The Westinghouse stack design is distinguished from other fuel cell stacks by the complete absence of high integrity seals between cell elements, cells, and between stack and manifolds. Further, the reformer for natural gas [predominantly methane] and the stack are thermally and hydraulically integrated with no requirement for process water. The technical viability of combining the tubular SOFC and a logistic fuels processor was demonstrated at 27 kWe scale in a test program sponsored by the Advanced Research Projects Agency [ARPA) and carried out at the Southern California Edison's [SCE] Highgrove generating station near San Bernardino, California in 1994/95. The LFP was a breadboard design supplied by Haldor Topsoe, Inc. under subcontract to Westinghouse. The test program was completely successful. The LFP fueled the SOFC for 766 hours on JP-8 and 1555 hours of DF-2. In addition, the fuel cell operated for 3261 hours on pipeline natural gas. Over the 5582 hours of operation, the SOFC generated 118 MVVH of electricity with no perceptible degradation in performance. The LFP processed military specification JP-8 and DF-2 removing the sulfur and reforming these liquid fuels to a methane rich gaseous fuel. Results of this program are documented in a companion report titled 'Final Report-Solid Oxide Fuel Cell/ Logistic Fuels Processor 27 kWe Power System'.

NITRATE AND NITROUS OXIDE CONCENTRATIONS IN SMALL STREAMS OF THE GEORGIA PIEDMONT

EPA Science Inventory

We are measuring dissolved nitrate and nitrous oxide concentrations and related parameters in 17 headwater streams in the South Fork Broad River, Georgia watershed on a monthly basis. The selected small streams drain watersheds dominated by forest, pasture, residential, or mixed...

Multislice frozen phonon high angle annular dark-field image simulation study of Mo-V-Nb-Te-O complex oxidation catalyst "M1".

PubMed

Blom, Douglas A

2012-01-01

Multislice frozen phonon calculations were performed on a model structure of a complex oxide which has potential use as an ammoxidation catalyst. The structure has 11 cation sites in the framework, several of which exhibit mixed Mo/V substitution. In this paper the sensitivity of high-angle annular dark-field (HAADF) imaging to partial substitution of V for Mo in this structure is reported. While the relationship between the average V content in an atom column and the HAADF image intensity is not independent of thickness, it is a fairly weak function of thickness suggesting that HAADF STEM imaging in certain cases can provide a useful starting point for Rietveld refinements of mixed occupancy in complex materials. The thermal parameters of the various cations and oxygen anions in the model affect the amount of thermal diffuse scattering and therefore the intensity in the HAADF images. For complex materials where the structure has been derived via powder Rietveld refinement, the uncertainty in the thermal parameters may limit the accuracy of HAADF image simulations. With the current interest in quantitative microscopy, simulations need to accurately describe the electron scattering to the very high angles often subtended by a HAADF detector. For this system approximately 15% of the scattering occurs above 200 mrad at 200 kV. To simulate scattering to such high angles, very fine sampling of the projected potential is necessary which increases the computational cost of the simulation. Copyright © 2011 Elsevier B.V. All rights reserved.

System and method for regeneration and recirculation of a reducing agent using highly exothermic reactions induced by mixed industrial slags

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

Nakano, Jinichiro; Bennett, James P.; Nakano, Anna

Embodiments relate to systems and methods for regenerating and recirculating a CO, H.sub.2 or combinations thereof utilized for metal oxide reduction in a reduction furnace. The reduction furnace receives the reducing agent, reduces the metal oxide, and generates an exhaust of the oxidized product. The oxidized product is transferred to a mixing vessel, where the oxidized product, a calcium oxide, and a vanadium oxide interact to regenerate the reducing agent from the oxidized product. The regenerated reducing agent is transferred back to the reduction furnace for continued metal oxide reductions.

A Review of RedOx Cycling of Solid Oxide Fuel Cells Anode

PubMed Central

Faes, Antonin; Hessler-Wyser, Aïcha; Zryd, Amédée; Van Herle, Jan

2012-01-01

Solid oxide fuel cells are able to convert fuels, including hydrocarbons, to electricity with an unbeatable efficiency even for small systems. One of the main limitations for long-term utilization is the reduction-oxidation cycling (RedOx cycles) of the nickel-based anodes. This paper will review the effects and parameters influencing RedOx cycles of the Ni-ceramic anode. Second, solutions for RedOx instability are reviewed in the patent and open scientific literature. The solutions are described from the point of view of the system, stack design, cell design, new materials and microstructure optimization. Finally, a brief synthesis on RedOx cycling of Ni-based anode supports for standard and optimized microstructures is depicted. PMID:24958298

FETC Programs for Reducing Greenhouse Gas Emissions

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

Ruether, J.A.

1998-02-01

Mark Twain once quipped that everyone talks about the weather but no one does anything about it. With interest in global climate change on the rise, researchers in the fossil-energy sector are feeling the heat to provide new technology to permit continued use of fossil fuels but with reduced emissions of so-called `greenhouse gases.` Three important greenhouse gases, carbon dioxide, methane, and nitrous oxide, are released to the atmosphere in the course of recovering and combusting fossil fuels. Their importance for trapping radiation, called forcing, is in the order given. In this report, we briefly review how greenhouse gases causemore » forcing and why this has a warming effect on the Earth`s atmosphere. Then we discuss programs underway at FETC that are aimed at reducing emissions of methane and carbon dioxide.« less

The effect of B 2O 3 addition on the crystallization of amorphous TiO 2-ZrO 2 mixed oxide

NASA Astrophysics Data System (ADS)

Mao, Dongsen; Lu, Guanzhong

2007-02-01

The effect of B 2O 3 addition on the crystallization of amorphous TiO 2-ZrO 2 mixed oxide was investigated by X-ray diffraction (XRD), thermogravimetric and differential thermal analysis (TG/DTA). TiO 2-ZrO 2 mixed oxide was prepared by co-precipitation method with aqueous ammonia as the precipitation reagent. Boric acid was used as a source of boria, and boria contents varied from 2 to 20 wt%. The results indicate that the addition of small amount of boria (<8 wt%) hinders the crystallization of amorphous TiO 2-ZrO 2 into a crystalline ZrTiO 4 compound, while a larger amount of boria (⩾8 wt%) promotes the crystallization process. FT-IR spectroscopy and 11B MAS NMR results show that tetrahedral borate species predominate at low boria loading, and trigonal borate species increase with increasing boria loading. Thus it is concluded that highly dispersed tetrahedral BO 4 units delay, while a build-up of trigonal BO 3 promote, the crystallization of amorphous TiO 2-ZrO 2 to form ZrTiO 4 crystals.

A mixed solution-processed gate dielectric for zinc-tin oxide thin-film transistor and its MIS capacitance

NASA Astrophysics Data System (ADS)

Kim, Hunho; Kwack, Young-Jin; Yun, Eui-Jung; Choi, Woon-Seop

2016-09-01

Solution-processed gate dielectrics were fabricated with the combined ZrO2 and Al2O3 (ZAO) in the form of mixed and stacked types for oxide thin film transistors (TFTs). ZAO thin films prepared with double coatings for solid gate dielectrics were characterized by analytical tools. For the first time, the capacitance of the oxide semiconductor was extracted from the capacitance-voltage properties of the zinc-tin oxide (ZTO) TFTs with the combined ZAO dielectrics by using the proposed metal-insulator-semiconductor (MIS) structure model. The capacitance evolution of the semiconductor from the TFT model structure described well the threshold voltage shift observed in the ZTO TFT with the ZAO (1:2) gate dielectric. The electrical properties of the ZTO TFT with a ZAO (1:2) gate dielectric showed low voltage driving with a field effect mobility of 37.01 cm2/Vs, a threshold voltage of 2.00 V, an on-to-off current ratio of 1.46 × 105, and a subthreshold slope of 0.10 V/dec.

Analysis and Modeling of Parallel Photovoltaic Systems under Partial Shading Conditions

NASA Astrophysics Data System (ADS)

Buddala, Santhoshi Snigdha

Since the industrial revolution, fossil fuels like petroleum, coal, oil, natural gas and other non-renewable energy sources have been used as the primary energy source. The consumption of fossil fuels releases various harmful gases into the atmosphere as byproducts which are hazardous in nature and they tend to deplete the protective layers and affect the overall environmental balance. Also the fossil fuels are bounded resources of energy and rapid depletion of these sources of energy, have prompted the need to investigate alternate sources of energy called renewable energy. One such promising source of renewable energy is the solar/photovoltaic energy. This work focuses on investigating a new solar array architecture with solar cells connected in parallel configuration. By retaining the structural simplicity of the parallel architecture, a theoretical small signal model of the solar cell is proposed and modeled to analyze the variations in the module parameters when subjected to partial shading conditions. Simulations were run in SPICE to validate the model implemented in Matlab. The voltage limitations of the proposed architecture are addressed by adopting a simple dc-dc boost converter and evaluating the performance of the architecture in terms of efficiencies by comparing it with the traditional architectures. SPICE simulations are used to compare the architectures and identify the best one in terms of power conversion efficiency under partial shading conditions.

THERMOCHEMICAL HEAT STORAGE FOR CONCENTRATED SOLAR POWER

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

PROJECT STAFF

2011-10-31

Thermal energy storage (TES) is an integral part of a concentrated solar power (CSP) system. It enables plant operators to generate electricity beyond on sun hours and supply power to the grid to meet peak demand. Current CSP sensible heat storage systems employ molten salts as both the heat transfer fluid and the heat storage media. These systems have an upper operating temperature limit of around 400 C. Future TES systems are expected to operate at temperatures between 600 C to 1000 C for higher thermal efficiencies which should result in lower electricity cost. To meet future operating temperature andmore » electricity cost requirements, a TES concept utilizing thermochemical cycles (TCs) based on multivalent solid oxides was proposed. The system employs a pair of reduction and oxidation (REDOX) reactions to store and release heat. In the storage step, hot air from the solar receiver is used to reduce the oxidation state of an oxide cation, e.g. Fe3+ to Fe2+. Heat energy is thus stored as chemical bonds and the oxide is charged. To discharge the stored energy, the reduced oxide is re-oxidized in air and heat is released. Air is used as both the heat transfer fluid and reactant and no storage of fluid is needed. This project investigated the engineering and economic feasibility of this proposed TES concept. The DOE storage cost and LCOE targets are $15/kWh and $0.09/kWh respectively. Sixteen pure oxide cycles were identified through thermodynamic calculations and literature information. Data showed the kinetics of re-oxidation of the various oxides to be a key barrier to implementing the proposed concept. A down selection was carried out based on operating temperature, materials costs and preliminary laboratory measurements. Cobalt oxide, manganese oxide and barium oxide were selected for developmental studies to improve their REDOX reaction kinetics. A novel approach utilizing mixed oxides to improve the REDOX kinetics of the selected oxides was proposed. It partially replaces some of the primary oxide cations with selected secondary cations. This causes a lattice charge imbalance and increases the anion vacancy density. Such vacancies enhance the ionic mass transport and lead to faster re-oxidation. Reoxidation fractions of Mn3O4 to Mn2O3 and CoO to Co3O4 were improved by up to 16 fold through the addition of a secondary oxide. However, no improvement was obtained in barium based mixed oxides. In addition to enhancing the short term re-oxidation kinetics, it was found that the use of mixed oxides also help to stabilize or even improve the TES properties after long term thermal cycling. Part of this improvement could be attributed to a reduced grain size in the mixed oxides. Based on the measurement results, manganese-iron, cobalt-aluminum and cobalt iron mixed oxides have been proposed for future engineering scale demonstration. Using the cobalt and manganese mixed oxides, we were able to demonstrate charge and discharge of the TES media in both a bench top fixed bed and a rotary kiln-moving bed reactor. Operations of the fixed bed configuration are straight forward but require a large mass flow rate and higher fluid temperature for charging. The rotary kiln makes direct solar irradiation possible and provides significantly better heat transfer, but designs to transport the TES oxide in and out of the reactor will need to be defined. The final reactor and system design will have to be based on the economics of the CSP plant. A materials compatibility study was also conducted and it identified Inconel 625 as a suitable high temperature engineering material to construct a reactor holding either cobalt or manganese mixed oxides. To assess the economics of such a CSP plant, a packed bed reactor model was established as a baseline. Measured cobalt-aluminum oxide reaction kinetics were applied to the model and the influences of bed properties and process parameters on the overall system design were investigated. The optimal TES system design was found to be a network of eight fixed bed reactors at 18.75 MWth each with charge and discharge temperatures between 1200 C and 600 C, which provides a constant output temperature of 900 C. The charge and discharge time are 8 hours each respectively. This design was integrated into a process flowsheet of a CSP plant and the system's economics were determined using AspenPlus and NREL's Solar Advisory Model. Storage cost is very sensitive to materials cost and was calculated to be based around $40/kWh for cobalt based mixed oxide. It can potentially decrease to $10/kWh based on reduced materials cost on a bulk scale. The corresponding calculated LCOE was between $0.22 and 0.30/kW-h. The high LCOE is a result of the high charging temperature required in this first design and the cost of cobalt oxide. It is expected that a moving bed reactor using manganese oxide will significantly improve the economics of the proposed concept.« less

Analytical bond order potential for simulations of BeO 1D and 2D nanostructures and plasma-surface interactions

NASA Astrophysics Data System (ADS)

Byggmästar, J.; Hodille, E. A.; Ferro, Y.; Nordlund, K.

2018-04-01

An analytical interatomic bond order potential for the Be-O system is presented. The potential is fitted and compared to a large database of bulk BeO and point defect properties obtained using density functional theory. Its main applications include simulations of plasma-surface interactions involving oxygen or oxide layers on beryllium, as well as simulations of BeO nanotubes and nanosheets. We apply the potential in a study of oxygen irradiation of Be surfaces, and observe the early stages of an oxide layer forming on the Be surface. Predicted thermal and elastic properties of BeO nanotubes and nanosheets are simulated and compared with published ab initio data.

Self-templated formation of uniform NiCo2O4 hollow spheres with complex interior structures for lithium-ion batteries and supercapacitors.

PubMed

Shen, Laifa; Yu, Le; Yu, Xin-Yao; Zhang, Xiaogang; Lou, Xiong Wen David

2015-02-02

Despite the significant advancement in preparing metal oxide hollow structures, most approaches rely on template-based multistep procedures for tailoring the interior structure. In this work, we develop a new generally applicable strategy toward the synthesis of mixed-metal-oxide complex hollow spheres. Starting with metal glycerate solid spheres, we show that subsequent thermal annealing in air leads to the formation of complex hollow spheres of the resulting metal oxide. We demonstrate the concept by synthesizing highly uniform NiCo2O4 hollow spheres with a complex interior structure. With the small primary building nanoparticles, high structural integrity, complex interior architectures, and enlarged surface area, these unique NiCo2O4 hollow spheres exhibit superior electrochemical performances as advanced electrode materials for both lithium-ion batteries and supercapacitors. This approach can be an efficient self-templated strategy for the preparation of mixed-metal-oxide hollow spheres with complex interior structures and functionalities. © 2015 WILEY-VCH Verlag GmbH & Co. KGaA, Weinheim.

A mixed solution-processed gate dielectric for zinc-tin oxide thin-film transistor and its MIS capacitance

PubMed Central

Kim, Hunho; Kwack, Young-Jin; Yun, Eui-Jung; Choi, Woon-Seop

2016-01-01

Solution-processed gate dielectrics were fabricated with the combined ZrO2 and Al2O3 (ZAO) in the form of mixed and stacked types for oxide thin film transistors (TFTs). ZAO thin films prepared with double coatings for solid gate dielectrics were characterized by analytical tools. For the first time, the capacitance of the oxide semiconductor was extracted from the capacitance-voltage properties of the zinc-tin oxide (ZTO) TFTs with the combined ZAO dielectrics by using the proposed metal-insulator-semiconductor (MIS) structure model. The capacitance evolution of the semiconductor from the TFT model structure described well the threshold voltage shift observed in the ZTO TFT with the ZAO (1:2) gate dielectric. The electrical properties of the ZTO TFT with a ZAO (1:2) gate dielectric showed low voltage driving with a field effect mobility of 37.01 cm2/Vs, a threshold voltage of 2.00 V, an on-to-off current ratio of 1.46 × 105, and a subthreshold slope of 0.10 V/dec. PMID:27641430

Strong, Tough Glass Composites Developed for Solid Oxide Fuel Cell Seals

NASA Technical Reports Server (NTRS)

Bansal, Narottam P.; Choi, Sung R.

2005-01-01

A fuel cell is an electrochemical device that continuously converts the chemical energy of a fuel directly into electrical energy. It consists of an electrolyte, an anode, and a cathode. Various types of fuel cells are available, such as direct methanol fuel cells, alkaline fuel cells, proton-exchange-membrane fuel cells, phosphoric acid fuel cells, molten carbonate fuel cells, and solid oxide fuel cells (SOFCs). The salient features of an SOFC are all solid construction and high-temperature electrochemical-reaction-based operation, resulting in clean, efficient power generation from a variety of fuels. SOFCs are being developed for a broad range of applications, such as portable electronic devices, automobiles, power generation, and aeronautics.

CHARACTERISTICS OF SPILLED OILS, FUELS, AND PETROLEUM PRODUCTS: 1. COMPOSITION AND PROPERTIES OF SELECTED OILS

EPA Science Inventory

Multicomponent composition and corresponding physical properties data of crude oils and petroleum products are needed as input to environmental fate simulations. Complete sets of such data, however, are not available in the literature due to the complexity and expense of making t...

Electrochemical reduction of CerMet fuels for transmutation using surrogate CeO2-Mo pellets

NASA Astrophysics Data System (ADS)

Claux, B.; Souček, P.; Malmbeck, R.; Rodrigues, A.; Glatz, J.-P.

2017-08-01

One of the concepts chosen for the transmutation of minor actinides in Accelerator Driven Systems or fast reactors proposes the use of fuels and targets containing minor actinides oxides embedded in an inert matrix either composed of molybdenum metal (CerMet fuel) or of ceramic magnesium oxide (CerCer fuel). Since the sufficient transmutation cannot be achieved in a single step, it requires multi-recycling of the fuel including recovery of the not transmuted minor actinides. In the present work, a pyrochemical process for treatment of Mo metal inert matrix based CerMet fuels is studied, particularly the electroreduction in molten chloride salt as a head-end step required prior the main separation process. At the initial stage, different inactive pellets simulating the fuel containing CeO2 as minor actinide surrogates were examined. The main studied parameters of the process efficiency were the porosity and composition of the pellets and the process parameters as current density and passed charge. The results indicated the feasibility of the process, gave insight into its limiting parameters and defined the parameters for the future experiment on minor actinide containing material.

Response surface methodology assisted biodiesel production from waste cooking oil using encapsulated mixed enzyme.

PubMed

Razack, Sirajunnisa Abdul; Duraiarasan, Surendhiran

2016-01-01

In the recent scenario, consumption of petroleum fuels has increased to greater height which has led to deforestation and decline in fossil fuels. In order to tackle the perilous situation, alternative fuel has to be generated. Biofuels play a vital role in substituting the diesel fuels as they are renewable and ecofriendly. Biodiesel, often referred to as green fuel, could be a potential replacement as it could be synthesized from varied substrates, advantageous being the microalgae in several ways. The present investigation was dealt with the interesterification of waste cooking oil using immobilised lipase from mixed cultures for biodiesel production. In order to standardize the production for a scale up process, the parameters necessary for interesterification had been optimized using the statistical tool, Central Composite Design - Response Surface Methodology. The optimal conditions required to generate biodiesel were 2 g enzyme load, 1:12 oil to methyl acetate ratio, 60 h reaction time and 35 °C temperature, yielding a maximum of 93.61% biodiesel. The immobilised lipase beads remain stable without any changes in their function and structure even after 20 cycles which made this study, less cost intensive. In conclusion, the study revealed that the cooking oil, a residue of many dining centers, left as waste product, can be used as a potential raw material for the production of ecofriendly and cost effective biofuel, the biodiesel. Copyright © 2015 Elsevier Ltd. All rights reserved.

Solid state proton and electron mediating membrane and use in catalytic membrane reactors

DOEpatents

White, James H.; Schwartz, Michael; Sammells, Anthony F.

2000-01-01

Mixed electron- and proton-conducting metal oxide materials are provided. These materials are useful in fabrication of membranes for use in catalytic membrane reactions, particularly for promoting dehydrogenation of hydrocarbons, oligomerization of hydrocarbons and for the decomposition of hydrogen-containing gases. Membrane materials are perovskite compounds of the formula: AB.sub.1-x B'.sub.x O.sub.3-y where A=Ca, Sr, or Ba; B=Ce, Tb, Pr or Th; B'=Ti, V, Cr, Mn, Fe, Co, Ni or Cu; 0.2

Fischer-Tropsch Catalyst for Aviation Fuel Production

NASA Technical Reports Server (NTRS)

deLaRee, Ana B.; Best, Lauren M.; Hepp, Aloysius F.

2011-01-01

As the oil supply declines, there is a greater need for cleaner alternative fuels. There will undoubtedly be a shift from crude oil to non-petroleum sources as a feedstock for aviation (and other transportation) fuels. The Fischer-Tropsch process uses a gas mixture of carbon monoxide and hydrogen which is converted into various liquid hydrocarbons; this versatile gas-to-liquid technology produces a complex product stream of paraffins, olefins, and oxygenated compounds such as alcohols and aldehydes. The Fischer-Tropsch process can produce a cleaner diesel oil fraction with a high cetane number (typically above 70) without any sulfur and aromatic compounds. It is most commonly catalyzed by cobalt supported on alumina, silica, or titania or unsupported alloyed iron powders. Cobalt is typically used more often than iron, in that cobalt is a longer-active catalyst, has lower water-gas shift activity, and lower yield of modified products. Promoters are valuable in improving Fischer-Tropsch catalyst as they can increase cobalt oxide dispersion, enhance the reduction of cobalt oxide to the active metal phase, stabilize a high metal surface area, and improve mechanical properties. Our goal is to build up the specificity of the Fischer-Tropsch catalyst while adding less-costly transition metals as promoters; the more common promoters used in Fischer-Tropsch synthesis are rhenium, platinum, and ruthenium. In this report we will describe our preliminary efforts to design and produce catalyst materials to achieve our goal of preferentially producing C8 to C18 paraffin compounds in the NASA Glenn Research Center Gas-To-Liquid processing plant. Efforts at NASA Glenn Research Center for producing green fuels using non-petroleum feedstocks support both the Sub-sonic Fixed Wing program of Fundamental Aeronautics and the In Situ Resource Utilization program of the Exploration Technology Development and Demonstration program.

Combustion characteristics of gas turbine alternative fuels

NASA Technical Reports Server (NTRS)

Rollbuhler, R. James

1987-01-01

An experimental investigation was conducted to obtain combustion performance values for specific heavyend, synthetic hydrocarbon fuels. A flame tube combustor modified to duplicate an advanced gas turbine engine combustor was used for the tests. Each fuel was tested at steady-state operating conditions over a range of mass flow rates, fuel-to-air mass ratio, and inlet air temperatures. The combustion pressure, as well as the hardware, were kept nearly constant over the program test phase. Test results were obtained in regards to geometric temperature pattern factors as a function of combustor wall temperatures, the combustion gas temperature, and the combustion emissions, both as affected by the mass flow rate and fuel-to-air ratio. The synthetic fuels were reacted in the combustor such that for most tests their performance was as good, if not better, than the baseline gasoline or diesel fuel tests. The only detrimental effects were that at high inlet air temperature conditions, fuel decomposition occurred in the fuel atomizing nozzle passages resulting in blockage. And the nitrogen oxide emissions were above EPA limits at low flow rate and high operating temperature conditions.

Effect of fuel nitrogen and hydrogen content on emissions in hydrocarbon combustion

NASA Technical Reports Server (NTRS)

Bittker, D. A.; Wolfbrandt, G.

1981-01-01

How the emissions of nitrogen oxides and carbon monoxide are affected by: (1) the decreased hydrogen content and (2) the increased organic nitrogen content of coal derived fuels is investigated. Previous CRT experimental work in a two stage flame tube has shown the effectiveness of rich lean two stage combustion in reducing fuel nitrogen conversion to nitrogen oxides. Previous theoretical work gave preliminary indications that emissions trends from the flame tube experiment could be predicted by a two stage, well stirred reactor combustor model using a detailed chemical mechanism for propane oxidation and nitrogen oxide formation. Additional computations are reported and comparisons with experimental results for two additional fuels and a wide range of operating conditions are given. Fuels used in the modeling are pure propane, a propane toluene mixture and pure toluene. These give hydrogen contents 18, 11 and 9 percent by weight, respectively. Fuel bound nitrogen contents of 0.5 and 1.0 percent were used. Results are presented for oxides of nitrogen and also carbon monoxide concentrations as a function of primary equivalence ratio, hydrogen content and fuel bound nitrogen content.

Solid state proton and electron mediating membrane and use in catalytic membrane reactors

DOEpatents

White, James H.; Schwartz, Michael; Sammells, Anthony F.

2001-01-01

Mixed electron- and proton-conducting metal oxide materials are provided. These materials are useful in fabrication of membranes for use in catalytic membrane reactions, particularly for promoting dehydrogenation of hydrocarbons, oligomerization of hydrocarbons and for the decomposition of hydrogen-containing gases. Membrane materials are perovskite compounds of the formula: AB.sub.1-x B'.sub.x O.sub.3-y where A=Ca, Sr, or Ba; B=Ce, Tb, Pr or Th; B'=Ti, V, Cr, Mn, Fe, Co, Ni or Cu; 0.2.ltoreq.x.ltoreq.0.5, and y is a number sufficient to neutralize the charge in the mixed metal oxide material.

Prediction of solubility parameters and miscibility of pharmaceutical compounds by molecular dynamics simulations.

PubMed

Gupta, Jasmine; Nunes, Cletus; Vyas, Shyam; Jonnalagadda, Sriramakamal

2011-03-10

The objectives of this study were (i) to develop a computational model based on molecular dynamics technique to predict the miscibility of indomethacin in carriers (polyethylene oxide, glucose, and sucrose) and (ii) to experimentally verify the in silico predictions by characterizing the drug-carrier mixtures using thermoanalytical techniques. Molecular dynamics (MD) simulations were performed using the COMPASS force field, and the cohesive energy density and the solubility parameters were determined for the model compounds. The magnitude of difference in the solubility parameters of drug and carrier is indicative of their miscibility. The MD simulations predicted indomethacin to be miscible with polyethylene oxide and to be borderline miscible with sucrose and immiscible with glucose. The solubility parameter values obtained using the MD simulations values were in reasonable agreement with those calculated using group contribution methods. Differential scanning calorimetry showed melting point depression of polyethylene oxide with increasing levels of indomethacin accompanied by peak broadening, confirming miscibility. In contrast, thermal analysis of blends of indomethacin with sucrose and glucose verified general immiscibility. The findings demonstrate that molecular modeling is a powerful technique for determining the solubility parameters and predicting miscibility of pharmaceutical compounds. © 2011 American Chemical Society

Method for forming solar cell materials from particulars

DOEpatents

Eberspacher, Chris; Pauls, Karen Lea

2001-01-01

Materials in bulk and film forms are prepared from fine particulate precursors such as single-phase, mixed-metal oxides; multi-phase, mixed-metal particles comprising a metal oxide; multinary metal particles; mixtures of such particles with other particles; and particulate materials intercalated with other materials.

Nitrous oxide emissions control by reburning

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

Rutar, T.; Kramlich, J.C.; Malte, P.C.

1996-12-01

Fluidized bed coal combustors emit much higher concentrations of nitrous oxide (N{sub 2}O) than do most other combustion systems. This is of concern because N{sub 2}O is highly stable in the atmosphere, and may contribute to both the greenhouse effect and to stratospheric ozone depletion. In this article laboratory results are presented on N{sub 2}O removal by the reburning (i.e., afterburning) method. The destruction of N{sub 2}O is observed during contact between hot flue gases containing N{sub 2}O and various reburning fuels. A laboratory combustion reactor is used to sequentially generate the hot combustion gas, and to put this gasmore » in contact with N{sub 2}O and reburning fuel under well-characterized conditions. The initial N{sub 2}O in the primary combustion products is between 200 and 350 ppmv (dry). The temperature of the primary combustion products is varied between 1,080 and 1,370 K, and the oxygen level of these gases is varied between 3.3 and 4.8% (dry). Five reburning fuels are tested. The rank order of reburning effectiveness (based on equal heat input by the reburning fuels) is H{sub 2} > CH{sub 4} > C{sub 2}H{sub 4} and C{sub 2}H{sub 6} > CO. Experiments are also performed with the primary combustor operated fuel rich. Without any reburning fuel added, removal of large amounts of N{sub 2}O are obtained when the fuel-air equivalence ratio of the primary combustion is about 1.1. The experimental results are presented, discussed, and compared to chemical kinetic modeling. Also, some discussions of the practical implications is presented.« less

Fischer-Tropsch Catalyst for Aviation Fuel Production

NASA Technical Reports Server (NTRS)

DeLaRee, Ana B.; Best, Lauren M.; Bradford, Robyn L.; Gonzalez-Arroyo, Richard; Hepp, Aloysius F.

2012-01-01

As the oil supply declines, there is a greater need for cleaner alternative fuels. There will undoubtedly be a shift from crude oil to nonpetroleum sources as a feedstock for aviation (and other transportation) fuels. The Fischer-Tropsch process uses a gas mixture of carbon monoxide and hydrogen which is converted into various liquid hydrocarbons; this versatile gas-to-liquid technology produces a complex product stream of paraffins, olefins, and oxygenated compounds such as alcohols and aldehydes. The Fischer-Tropsch process can produce a cleaner diesel oil fraction with a high cetane number (typically above 70) without any sulfur and aromatic compounds. It is most commonly catalyzed by cobalt supported on alumina, silica, or titania or unsupported alloyed iron powders. Cobalt is typically used more often than iron, in that cobalt is a longer-active catalyst, has lower water-gas shift activity, and lower yield of modified products. Promoters are valuable in improving Fischer-Tropsch catalyst as they can increase cobalt oxide dispersion, enhance the reduction of cobalt oxide to the active metal phase, stabilize a high metal surface area, and improve mechanical properties. Our goal is to build up the specificity of the Fischer-Tropsch catalyst while adding less-costly transition metals as promoters; the more common promoters used in Fischer-Tropsch synthesis are rhenium, platinum, and ruthenium. In this report we will describe our preliminary efforts to design and produce catalyst materials to achieve our goal of preferentially producing C8 to C18 paraffin compounds in the NASA Glenn Research Center Gas-To-Liquid processing plant. Efforts at NASA Glenn Research Center for producing green fuels using non-petroleum feedstocks support both the Sub-sonic Fixed Wing program of Fundamental Aeronautics and the In Situ Resource Utilization program of the Exploration Technology Development and Demonstration program.

Filamentous, mixed micelles of triblock copolymers enhance tumor localization of indocyanine green in a murine xenograft model

PubMed Central

Kim, Tae Hee; Mount, Christopher W; Dulken, Benjamin W; Ramos, Jenelyn; Fu, Caroline J; Khant, Htet A; Chiu, Wah; Gombotz, Wayne R; Pun, Suzie H

2012-01-01

Polymeric micelles formed by the self-assembly of amphiphilic block copolymers can be used to encapsulate hydrophobic drugs for tumor-delivery applications. Filamentous carriers with high aspect ratios offer potential advantages over spherical carriers, including prolonged circulation times. In this work, mixed micelles comprised of poly (ethylene oxide)-poly-[(R)-3-hydroxybutyrate]-poly (ethylene oxide) (PEO-PHB-PEO) and Pluronic F-127 (PF-127) were used to encapsulate a near-infrared fluorophore. The micelle formulations were assessed for tumor accumulation after tail vein injection to xenograft tumor-bearing mice by non-invasive optical imaging. The mixed micelle formulation that facilitated the highest tumor accumulation was shown by cryo-electron microscopy to be filamentous in structure compared to spherical structures of pure PF-127 micelles. In addition, increased dye loading efficiency and dye stability was attained in this mixed micelle formulation compared to pure PEO-PHB-PEO micelles. Therefore, the optimized PEO-PHB-PEO/PF-127 mixed micelle formulation offers advantages for cancer delivery over micelles formed from the individual copolymer components. PMID:22118658

Effect of N2 annealing on AlZrO oxide

NASA Astrophysics Data System (ADS)

Pétry, J.; Richard, O.; Vandervorst, W.; Conard, T.; Chen, J.; Cosnier, V.

2003-07-01

In the path to the introduction of high-k dielectric into integrated circuit components, a large number of challenges has to be solved. Subsequent to the film deposition, the high-k film is exposed to additional high-temperature anneals for polycrystalline Si activation but also to improve its own electrical properties. Hence, concerns can be raised regarding the thermal stability of these stacks upon annealing. In this study, we investigated the effect of N2 annealing (700 to 900 °C) of atomic layer chemical vapor deposition AlZrO layers using x-ray photoelectron spectroscopy (XPS), time-of-flight secondary ion mass spectrometry (TOFSIMS), transmission electron microscopy (TEM), and Fourier transform infrared (FTIR) spectroscopy. The effect of the Si surface preparation [H-Si, 0.5 nm rapid thermal oxide (RTO), Al2O3] on the modification of the high-k oxide and the interfacial layer upon annealing was also analyzed. Compositional changes can be observed for all temperature and surface preparations. In particular, we observe a segregation of Al(oxide) toward the surface of the mixed oxide. In addition, an increase of the Si concentration in the high-k film itself can be seen with a diffusion profile extending toward the surface of the film. On the other hand, the modification of the interfacial layer is strongly dependent on the system considered. In the case of mixed oxide grown on 0.5 nm RTO, no differences are observed between the as-deposited layer and the layer annealed at 700 °C. At 800 °C, a radical change occurs: The initial RTO layer seems to be converted into a mixed layer composed of the initial SiO2 and Al2O3 coming from the mixed oxide, however without forming an Al-silicate layer. A similar situation is found for anneals at 900 °C, as well. When grown on 1.5 nm Al2O3 on 0.5 nm RTO, the only difference with the previous system is the observation of an Al-silicate fraction in the interfacial layer for the as-deposited and 700 °C annealed samples, which disappears at higher temperatures. Finally, considering layers deposited on a H-Si surface, we observe a slight increase of the interfacial thickness after annealing at 700 °C and no further changes for a higher annealing temperature.

Planar Solid-Oxide Fuel Cell System Demonstration at UT SimCenter

DTIC Science & Technology

2015-12-09

including metals, carbon, and zeolites , have been proposed for sulfur adsorption performances [9-13]. Nickel and copper supported on activated carbon and... zeolite exhibited effective desulfurization effects for jet fuels [14,15]. Muzic et al. [16] examined the adsorptive desulfurization of three...sulfur by using a nanoporous Ni loaded, Y-type zeolite at ambient conditions. The adsorption capacity of Ni-Y zeolite was 0.84 and 2.31 mg S/g

NE Forests 2100: A synthesis of climate change impacts on forests of the northeastern US and eastern Canada

Treesearch

Lindsey Rustad; John Campbell; Roger Cox; Jeffrey Dukes; T.G. Huntington; Allison Magill; Andrew Richardson; Jacqueline Mohan; Jennifer Pontius; N.R. Rodenhouse; M.R. Watson

2009-01-01

Human activities such as the combustion of fossil fuels and changes in land use are increasing atmospheric concentrations of carbon dioxide and other greenhouse gases (e.g., nitrous oxide, methane, halocarbons). Climate models indicate that these heat-trapping gases are likely to increase the Earth’s average surface air temperature by 1.1 to 6.4 °C by the end...

Fuel loadings in southwestern ecosystems of the United States

Treesearch

Stephen S. Sackett; Sally M Haase

1996-01-01

Natural forest fuel loadings cause extreme fire behavior during dry, windy weather experienced during most fire seasons in the Southwest. Fire severity is also exacerbated from burning heavy fuels, including heavy humus layers on the forest floor. Ponderosa pine and mixed conifer stands possess more than 21.7 and 44.1 tons per acre of total forest floor fuel,...

Fuel treatment longevity in a Sierra Nevada mixed conifer forest

Treesearch

Scott. L. Stephens; Brandon M. Collins; Gary. Roller

2012-01-01

Understanding the longevity of fuel treatments in terms of their ability to maintain fire behavior and effects within a desired range is an important question. The objective of this study was to determine how fuels, forest structure, and predicted fire behavior changed 7-years after initial treatments. Three different treatments: mechanical only, mechanical plus fire,...

Coal Research

NASA Technical Reports Server (NTRS)

1986-01-01

Coal slurries are "clean" pulverized coal mixed with oil or water. Significant fuel savings can be realized when using coal slurries. Advanced Fuels Technology (AFT) utilized a COSMIC program, (Calculation of Complex Chemical Equilibrium Compositions), which provides specific capabilities for determining combustion products. The company has developed a cleaning process that removes much of the mineral sulphur and ash from the coals.

Harnessing fire for wildlife

Treesearch

Malcolm North; Pete Stine; William Zielinski; Kevin O’Hara; Scott Stephens

2010-01-01

On a dry afternoon in September of 2007 the “Moonlight Fire” started in a northeastern California mixed-conifer forest that had been accumulating fuels for over a century. Twelve days later the fire was contained after burning 65,000 acres, destroying seven structures, injuring 34 firefighters, and costing $32 million. Much of the forest within the fire perimeter had...

Development and Testing of a Rotating Detonation Engine Run on Hydrogen and Air

DTIC Science & Technology

2012-03-22

all gaseous or liquid hydrocarbon fuels mixed with gaseous oxygen or air can be burnt in an annular combustion chamber in the regime of a continuous...constructed for the RDE and securely attached to the concrete . The test stand allowed for direct attachment of the RDE via thru holes in the tabletop. Nuts

Topographic variation in structure of mixed-conifer forests under an active-fire regime

Treesearch

Jamie Lydersen; Malcolm North

2012-01-01

Management efforts to promote forest resiliency as climate changes have often used historical forest conditions to provide general guidance for fuels reduction and forest restoration treatments. However, it has been difficult to identify what stand conditions might be fire and drought resilient because historical data and reconstruction studies are generally limited to...

Evaluation of forest management systems under risk of wildfire

Treesearch

Kari Hyytiainen; Robert G. Haight

2010-01-01

We evaluate the economic efficiency of even- and uneven-aged management systems under risk of wildfire. The management problems are formulated for a mixed-conifer stand and approximations of the optimal solutions are obtained using simulation optimization. The Northern Idaho variant of the Forest Vegetation Simulator and its Fire and Fuels Extension is used to predict...

Simulation of radiation driven fission gas diffusion in UO 2, ThO 2 and PuO 2

DOE PAGES

Cooper, Michael William D.; Stanek, Christopher Richard; Turnbull, James Anthony; ...

2016-12-01

Below 1000 K it is thought that fission gas diffusion in nuclear fuel during irradiation occurs through atomic mixing due to radiation damage. Here we present a molecular dynamics (MD) study of Xe, Kr, Th, U, Pu and O diffusion due to irradiation. It is concluded that the ballistic phase does not sufficiently account for the experimentally observed diffusion. Thermal spike simulations are used to confirm that electronic stopping remedies the discrepancy with experiment and the predicted diffusivities lie within the scatter of the experimental data. Here, our results predict that the diffusion coefficients are ordered such that D* 0more » > D* Kr > D* Xe > D* U. For all species >98.5% of diffusivity is accounted for by electronic stopping. Fission gas diffusivity was not predicted to vary significantly between ThO 2, UO 2 and PuO 2, indicating that this process would not change greatly for mixed oxide fuels.« less

Literature review report on atomistic modeling tools for FeCrAl alloys

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

Zhang, Yongfeng; Schwen, Daniel; Martinez, Enrique

2015-12-01

This reports summarizes the literature review results on atomistic tools, particularly interatomic potentials used in molecular dynamics simulations, for FeCrAl ternary alloys. FeCrAl has recently been identified as a possible cladding concept for accident tolerant fuels for its superior corrosion resistance. Along with several other concepts, an initial evaluation and recommendation are desired for FeCrAl before it’s used in realistic fuels. For this purpose, sufficient understanding on the in-reactor behavior of FeCrAl needs to be grained in a relatively short timeframe, and multiscale modeling and simulations have been selected as an efficient measure to supplement experiments and in-reactor testing formore » better understanding on FeCrAl. For the limited knowledge on FeCrAl alloys, the multiscale modeling approach relies on atomistic simulations to obtain the missing material parameters and properties. As a first step, atomistic tools have to be identified and this is the purpose of the present report. It was noticed during the literature survey that no interatomic potentials currently available for FeCrAl. Here, we summarize the interatomic potentials available for FeCr alloys for possible molecular dynamics studies using FeCr as surrogate materials. Other atomistic methods such as lattice kinetic Monte Carlo are also included in this report. A couple of research topics at the atomic scale are suggested based on the literature survey.« less

Surface modification of TiO2 with metal oxide nanoclusters: a route to composite photocatalytic materials.

PubMed

Nolan, Michael

2011-08-14

Density functional theory simulations show that modifying rutile TiO(2) with metal oxide nanoclusters produces composite materials with potential visible light photocatalytic activity. This journal is © The Royal Society of Chemistry 2011

Modeled forest inventory data suggest climate benefits from fuels management

Treesearch

Jeremy S. Fried; Theresa B. Jain; Jonathan. Sandquist

2013-01-01

As part of a recent synthesis addressing fuel management in dry, mixed-conifer forests we analyzed more than 5,000 Forest Inventory and Analysis (FIA) plots, a probability sample that represents 33 million acres of these forests throughout Washington, Oregon, Idaho, Montana, Utah, and extreme northern California. We relied on the BioSum analysis framework that...

Chapter 1: Fire and fuels reduction

Treesearch

B.M. Collins; S.L. Stephens

2012-01-01

Fire will continue to be a major management challenge in mixed-conifer forests in the Sierra Nevada. Fire is a fundamental ecosystem process in these forests that was largely eliminated in the 20th century. Fire reintroduction is a critical goal but is subject to constraints such as smoke production, risk of fire moving outside designated boundaries, the expanding...

Thinning, tree-growth, and resistance to multi-year drought in a mixed-conifer forest of northern California

USGS Publications Warehouse

Vernon, Michael J.; Sherriff, Rosemary L.; van Mantgem, Phillip; Kane, Jeffrey M.

2018-01-01

Drought is an important stressor in forest ecosystems that can influence tree vigor and survival. In the U.S., forest managers use two primary management techniques to promote resistance and resilience to drought: prescribed fire and mechanical thinning. Generally applied to reduce fuels and fire hazard, treatments may also reduce competition for resources that may improve tree-growth and reduce mortality during drought. A recent severe and prolonged drought in California provided a natural experiment to investigate tree-growth responses to fuel treatments and climatic stress. We assessed tree-growth from 299 ponderosa pine (Pinus ponderosa) and Douglas-fir (Pseudotsuga menziesii) in treated and untreated stands during severe drought from 2012 to 2015 in the mixed-conifer forests of Whiskeytown National Recreation Area (WNRA) in northern California. The treatment implemented at WNRA removed 34% of live basal area through mechanical thinning with a subsequent pile burning of residual fuels. Tree-growth was positively associated with crown ratio and negatively associated with competition and a 1-year lag of climate water deficit, an index of drought. Douglas-fir generally had higher annual growth than ponderosa pine, although factors affecting growth were the same for both species. Drought resistance, expressed as the ratio between mean growth during drought and mean growth pre-drought, was higher in treated stands compared to untreated stands during both years of severe drought (2014 and 2015) for ponderosa pine but only one year (2014) for Douglas-fir. Thinning improved drought resistance, but tree size, competition and species influenced this response. On-going thinning treatments focused on fuels and fire hazard reduction are likely to be effective at promoting growth and greater drought resistance in dry mixed-conifer forests. Given the likelihood of future droughts, land managers may choose to implement similar treatments to reduce potential impacts.

Solvation of fluoro-acetonitrile in water by 2D-IR spectroscopy: A combined experimental-computational study

NASA Astrophysics Data System (ADS)

Cazade, Pierre-André; Tran, Halina; Bereau, Tristan; Das, Akshaya K.; Kläsi, Felix; Hamm, Peter; Meuwly, Markus

2015-06-01

The solvent dynamics around fluorinated acetonitrile is characterized by 2-dimensional infrared spectroscopy and atomistic simulations. The lineshape of the linear infrared spectrum is better captured by semiempirical (density functional tight binding) mixed quantum mechanical/molecular mechanics simulations, whereas force field simulations with multipolar interactions yield lineshapes that are significantly too narrow. For the solvent dynamics, a relatively slow time scale of 2 ps is found from the experiments and supported by the mixed quantum mechanical/molecular mechanics simulations. With multipolar force fields fitted to the available thermodynamical data, the time scale is considerably faster—on the 0.5 ps time scale. The simulations provide evidence for a well established CF-HOH hydrogen bond (population of 25%) which is found from the radial distribution function g(r) from both, force field and quantum mechanics/molecular mechanics simulations.

Intercalation of paracetamol into the hydrotalcite-like host

NASA Astrophysics Data System (ADS)

Kovanda, František; Maryšková, Zuzana; Kovář, Petr

2011-12-01

Hydrotalcite-like compounds are often used as host structures for intercalation of various anionic species. The product intercalated with the nonionic, water-soluble pharmaceuticals paracetamol, N-(4-hydroxyphenyl)acetamide, was prepared by rehydration of the Mg-Al mixed oxide obtained by calcination of hydrotalcite-like precursor at 500 °C. The successful intercalation of paracetamol molecules into the interlayer space was confirmed by powder X-ray diffraction and infrared spectroscopy measurements. Molecular simulations showed that the phenolic hydroxyl groups of paracetamol interact with hydroxide sheets of the host via the hydroxyl groups of the positively charged sites of Al-containing octahedra; the interlayer water molecules are located mostly near the hydroxide sheets. The arrangement of paracetamol molecules in the interlayer is rather disordered and interactions between neighboring molecules cause their tilting towards the hydroxide sheets. Dissolution tests in various media showed slower release of paracetamol intercalated in the hydrotalcite-like host in comparison with tablets containing the powdered pharmaceuticals.

Optical, structural and electrochromic properties of sputter- deposited W-Mo oxide thin films

NASA Astrophysics Data System (ADS)

Gesheva, K.; Arvizu, M. A.; Bodurov, G.; Ivanova, T.; Niklasson, G. A.; Iliev, M.; Vlakhov, T.; Terzijska, P.; Popkirov, G.; Abrashev, M.; Boyadjiev, S.; Jágerszki, G.; Szilágyi, I. M.; Marinov, Y.

2016-10-01

Thin metal oxide films were investigated by a series of characterization techniques including impedance spectroscopy, spectroscopic ellipsometry, Raman spectroscopy, and Atomic Force Microscopy. Thin film deposition by reactive DC magnetron sputtering was performed at the Ångström Laboratory. W and Mo targets (5 cm diameter) and various oxygen gas flows were employed to prepare samples with different properties, whereas the gas pressure was kept constant at about 30 mTorr. The substrates were 5×5 cm2 plates of unheated glass pre-coated with ITO having a resistance of 40 ohm/sq. Film thicknesses were around 300 nm as determined by surface profilometry. Newly acquired equipment was used to study optical spectra, optoelectronic properties, and film structure. Films of WO3 and of mixed W- Mo oxide with three compositions showed coloring and bleaching under the application of a small voltage. Cyclic voltammograms were recorded with a scan rate of 5 mV s-1. Ellipsometric data for the optical constants show dependence on the amount of MoOx in the chemical composition. Single MoOx film, and the mixed one with only 8% MoOx have the highest value of refractive index, and similar dispersion in the visible spectral range. Raman spectra displayed strong lines at wavenumbers between 780 cm-1 and 950 cm-1 related to stretching vibrations of WO3, and MoO3. AFM gave evidence for domains of different composition in mixed W-Mo oxide films.

How Does a Hydrophobic Macromolecule Respond to Mixed Osmolyte Environment?

PubMed

Tah, Indrajit; Mondal, Jagannath

2016-10-04

The role of the protecting osmolyte Trimethyl N-oxide (TMAO) in counteracting the denaturing effect of urea on a protein is quite well established. However, the mechanistic role of osmolytes on the hydrophobic interaction underlying protein folding is a topic of contention and is emerging as a key area of biophysical interest. Although recent experiment and computer simulation have established that individual aqueous solution of TMAO and urea respectively stabilizes and destabilizes the collapsed conformation of a hydrophobic polymer, it remains to be explored how a mixed aqueous solution of protecting and denaturing osmolytes influences the conformations of the polymer. In order to bridge the gap, we have simulated the conformational behavior of both a model hydrophobic polymer and a synthetic polymer polystyrene in an aqueous mixture of TMAO and urea. Intriguingly, our free energy based simulations on both the systems show that even though a pure aqueous solution of TMAO stabilizes the collapsed or globular conformation of the hydrophobic polymer, addition of TMAO to an aqueous solution of urea further destabilizes the collapsed conformation of the hydrophobic polymer. We also observe that the extent of destabilization in a mixed osmolyte solution is relatively higher than that in pure aqueous urea solution. The reinforcement of the denaturation effect of the hydrophobic macromolecule in a mixed osmolyte solution is in stark contrast to the well-known counteracting role of TMAO in proteins under denaturing condition of urea. In both model and realistic systems, our results show that in a mixed aqueous solution, greater number of cosolutes preferentially bind to the extended conformation of the polymer relative to that in the collapsed conformation, thereby complying with Tanford-Wyman preferential solvation theory disfavoring the collapsed conformation. The results are robust across a range of osmolyte concentrations and multiple cosolute forcefields. Our findings unequivocally imply that the action of mixed osmolyte solution on hydrophobic polymer is significantly distinct from that of proteins.

Surface Chemistry of Perovskite-Type Electrodes During High Temperature CO2 Electrolysis Investigated by Operando Photoelectron Spectroscopy

PubMed Central

2017-01-01

Any substantial move of energy sources from fossil fuels to renewable resources requires large scale storage of excess energy, for example, via power to fuel processes. In this respect electrochemical reduction of CO2 may become very important, since it offers a method of sustainable CO production, which is a crucial prerequisite for synthesis of sustainable fuels. Carbon dioxide reduction in solid oxide electrolysis cells (SOECs) is particularly promising owing to the high operating temperature, which leads to both improved thermodynamics and fast kinetics. Additionally, compared to purely chemical CO formation on oxide catalysts, SOECs have the outstanding advantage that the catalytically active oxygen vacancies are continuously formed at the counter electrode, and move to the working electrode where they reactivate the oxide surface without the need of a preceding chemical (e.g., by H2) or thermal reduction step. In the present work, the surface chemistry of (La,Sr)FeO3−δ and (La,Sr)CrO3−δ based perovskite-type electrodes was studied during electrochemical CO2 reduction by means of near-ambient pressure X-ray photoelectron spectroscopy (NAP-XPS) at SOEC operating temperatures. These measurements revealed the formation of a carbonate intermediate, which develops on the oxide surface only upon cathodic polarization (i.e., under sufficiently reducing conditions). The amount of this adsorbate increases with increasing oxygen vacancy concentration of the electrode material, thus suggesting vacant oxygen lattice sites as the predominant adsorption sites for carbon dioxide. The correlation of carbonate coverage and cathodic polarization indicates that an electron transfer is required to form the carbonate and thus to activate CO2 on the oxide surface. The results also suggest that acceptor doped oxides with high electron concentration and high oxygen vacancy concentration may be particularly suited for CO2 reduction. In contrast to water splitting, the CO2 electrolysis reaction was not significantly affected by metallic particles, which were exsolved from the perovskite electrodes upon cathodic polarization. Carbon formation on the electrode surface was only observed under very strong cathodic conditions, and the carbon could be easily removed by retracting the applied voltage without damaging the electrode, which is particularly promising from an application point of view. PMID:28933825

Investigating the oxidation mechanism of tantalum nanoparticles at high heating rates

NASA Astrophysics Data System (ADS)

DeLisio, Jeffery B.; Wang, Xizheng; Wu, Tao; Egan, Garth C.; Jacob, Rohit J.; Zachariah, Michael R.

2017-12-01

Reduced diffusion length scales and increased specific surface areas of nanosized metal fuels have recently demonstrated increased reaction rates for these systems, increasing their relevance in a wide variety of applications. The most commonly employed metal fuel, aluminum, tends to oxidize rapidly near its melting point (660 °C) in addition to undergoing a phase change of the nascent oxide shell. To further expand on the understanding of nanosized metal fuel oxidation, tantalum nanoparticles were studied due to their high melting point (3017 °C) in comparison to aluminum. Both traditional slow heating rate and in-situ high heating rate techniques were used to probe the oxidation of tantalum nanoparticles in oxygen containing environments in addition to nanothermite mixtures. When oxidized by gas phase oxygen, the oxide shell of the tantalum nanoparticles rapidly crystallized creating cracks that may attribute to enhanced oxygen diffusion into the particle. In the case of tantalum based nanothermites, oxide shell crystallization was shown to induce reactive sintering with the metal oxide resulting in a narrow range of ignition temperatures independent of the metal oxide used. The oxidation mechanism was modeled using the Deal-Grove model to extract rate parameters, and theoretical burn times for tantalum based nanocomposites were calculated.

High specific heat superconducting composite

DOEpatents

Steyert, Jr., William A.

1979-01-01

A composite superconductor formed from a high specific heat ceramic such as gadolinium oxide or gadolinium-aluminum oxide and a conventional metal conductor such as copper or aluminum which are insolubly mixed together to provide adiabatic stability in a superconducting mode of operation. The addition of a few percent of insoluble gadolinium-aluminum oxide powder or gadolinium oxide powder to copper, increases the measured specific heat of the composite by one to two orders of magnitude below the 5.degree. K. level while maintaining the high thermal and electrical conductivity of the conventional metal conductor.

Microscopic significance of hydrophobic residues in the protein-stabilizing effect of trimethylamine N-oxide (TMAO).

PubMed

Yang, Yanmei; Mu, Yuguang; Li, Weifeng

2016-08-10

Although it is widely known that trimethylamine N-oxide (TMAO) stabilizes the native structure of proteins, the underlying mechanism of its action is poorly documented. To obtain an in-depth understanding of this important osmolyte molecule, we conducted large-scale molecular dynamic simulations of model proteins, namely, wild-type villin headpiece protein HP35 and its doubly norleucine-substituent mutant (Lys24/29Nle) HP35NN in pure urea and urea + TMAO mixed solutions for direct comparison. From extensive sampling, the protective capability of TMAO was well captured in the simulations, where HP35NN demonstrated a significantly more stable native structure than HP35 in the presence of TMAO, whereas in pure urea solution, the former denatured in a shorter time. These findings highlight the importance of the two norleucine residues that regulates the interactions of proteins with urea and TMAO. By accessing the hydration and conformational dynamics of both proteins, we were able to directly probe how TMAO compensates the denaturing effect of urea at the atomic level. The accumulation of urea around hydrophobic residues is clearly suppressed, which indicates that the van der Waals interactions between urea and proteins are weakened by TMAO. As a consequence, the hydrophobic core of protein is preferentially protected by TMAO against urea attack. Although the hydrogen bonds (H-bonds) between proteins and urea are suppressed by TMAO, this plays a very minor role than expected in the enhanced protein stability. In addition, TMAO was found to be always excluded from the protein surface and incapable of forming H-bonds with proteins. Thus, the present study provides solid evidence to support the indirect mechanism of TMAO counteracting the denaturing effects of urea.

Surface Chemistry of Perovskite-Type Electrodes During High Temperature CO2 Electrolysis Investigated by Operando Photoelectron Spectroscopy.

PubMed

Opitz, Alexander K; Nenning, Andreas; Rameshan, Christoph; Kubicek, Markus; Götsch, Thomas; Blume, Raoul; Hävecker, Michael; Knop-Gericke, Axel; Rupprechter, Günther; Klötzer, Bernhard; Fleig, Jürgen

2017-10-18

Any substantial move of energy sources from fossil fuels to renewable resources requires large scale storage of excess energy, for example, via power to fuel processes. In this respect electrochemical reduction of CO 2 may become very important, since it offers a method of sustainable CO production, which is a crucial prerequisite for synthesis of sustainable fuels. Carbon dioxide reduction in solid oxide electrolysis cells (SOECs) is particularly promising owing to the high operating temperature, which leads to both improved thermodynamics and fast kinetics. Additionally, compared to purely chemical CO formation on oxide catalysts, SOECs have the outstanding advantage that the catalytically active oxygen vacancies are continuously formed at the counter electrode, and move to the working electrode where they reactivate the oxide surface without the need of a preceding chemical (e.g., by H 2 ) or thermal reduction step. In the present work, the surface chemistry of (La,Sr)FeO 3-δ and (La,Sr)CrO 3-δ based perovskite-type electrodes was studied during electrochemical CO 2 reduction by means of near-ambient pressure X-ray photoelectron spectroscopy (NAP-XPS) at SOEC operating temperatures. These measurements revealed the formation of a carbonate intermediate, which develops on the oxide surface only upon cathodic polarization (i.e., under sufficiently reducing conditions). The amount of this adsorbate increases with increasing oxygen vacancy concentration of the electrode material, thus suggesting vacant oxygen lattice sites as the predominant adsorption sites for carbon dioxide. The correlation of carbonate coverage and cathodic polarization indicates that an electron transfer is required to form the carbonate and thus to activate CO 2 on the oxide surface. The results also suggest that acceptor doped oxides with high electron concentration and high oxygen vacancy concentration may be particularly suited for CO 2 reduction. In contrast to water splitting, the CO 2 electrolysis reaction was not significantly affected by metallic particles, which were exsolved from the perovskite electrodes upon cathodic polarization. Carbon formation on the electrode surface was only observed under very strong cathodic conditions, and the carbon could be easily removed by retracting the applied voltage without damaging the electrode, which is particularly promising from an application point of view.

Mixed composition materials suitable for vacuum web sputter coating

NASA Technical Reports Server (NTRS)

Banks, Bruce A.; Rutledge, Sharon K.; Dever, Joyce A.; Bruckner, Eric J.; Walters, Patricia; Hambourger, Paul D.

1996-01-01

Ion beam sputter deposition techniques were used to investigate simultaneous sputter etching of two component targets so as to produce mixed composition films. Although sputter deposition has been largely confined to metals and metal oxides, at least one polymeric material, poly-tetra-fluorethylene, has been demonstrated to produce sputtered fragments which repolymerize upon deposition to produce a highly cross-linked fluoropolymer resembling that of the parent target Fluoropolymer-filled silicon dioxide and fluoropolymer-filled aluminum oxide coatings have been deposited by means of ion beam sputter coat deposition resulting in films having material properties suitable for aerospace and commercial applications. The addition of fluoropolymer to silicon dioxide films was found to increase the hydrophobicity of the resulting mixed films; however, adding fluoropolymer to aluminum oxide films resulted in a reduction in hydrophobicity, thought to be caused by aluminum fluoride formation.

Liquid-fueled SOFC power sources for transportation

NASA Astrophysics Data System (ADS)

Myles, K. M.; Doshi, R.; Kumar, R.; Krumpelt, M.

Traditionally, fuel cells have been developed for space or stationary terrestrial applications. As the first commercial 200-kW systems were being introduced by ONSI and Fuji Electric, the potentially much larger, but also more challenging, application in transportation was beginning to be addressed. As a result, fuel cell-powered buses have been designed and built, and R&D programs for fuel cell-powered passenger cars have been initiated. The engineering challenge of eventually replacing the internal combustion engine in buses, trucks, and passenger cars with fuel cell systems is to achieve much higher power densities and much lower costs than obtainable in systems designed for stationary applications. At present, the leading fuel cell candidate for transportation applications is, without question, the polymer electrolyte fuel cell (PEFC). Offering ambient temperature start-up and the potential for a relatively high power density, the polymer technology has attracted the interest of automotive manufacturers worldwide. But the difficulties of fuel handling for the PEFC have led to a growing interest in exploring the prospects for solid oxide fuel cells (SOFCs) operating on liquid fuels for transportation applications. Solid oxide fuel cells are much more compatible with liquid fuels (methanol or other hydrocarbons) and are potentially capable of power densities high enough for vehicular use. Two SOFC options for such use are discussed in this report.

Conversion of ethanol to 1,3-butadiene over Na doped ZnxZryOz mixed metal oxides

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

Baylon, Rebecca A.; Sun, Junming; Wang, Yong

2016-01-01

Despite numerous studies on different oxide catalysts for the ethanol to 1,3-butadiene reaction, few have identified active sites (i.e., type of acidity) correlated to the catalytic performances. In this work, the type of acidity needed for ethanol to 1,3-butadiene conversion has been studied over Zn/Zr mixed oxide catalysts. Specifically, synthesis method, Zn/Zr ratio, and Na doping have been used to control the surface acid-base properties, as confirmed by characterizations such as NH3-TPD and IR-Py techniques. The 2000 ppm Na doped Zn1Zr10Oz-H with balanced base and weak Bronsted acid sites was found to give not only high selectivity to 1,3-butadiene (47%)more » at near complete ethanol conversion (97%), but also exhibited a much higher 1,3-butadiene productivity than other mixed oxides studied.« less

Anode regeneration following carbon depositions in an industrial-sized anode supported solid oxide fuel cell operating on synthetic diesel reformate

NASA Astrophysics Data System (ADS)

Subotić, Vanja; Schluckner, Christoph; Mathe, Jörg; Rechberger, Jürgen; Schroettner, Hartmuth; Hochenauer, Christoph

2015-11-01

Carbon deposition is a primary concern during operation of solid oxide fuel cells (SOFCs) fueled with carbon-containing fuels. It leads to cell degradation and thus reduces SOFC sustained operation and durability. This paper reports on an experimental investigation of carbon formation on the nickel/yttria-stabilized zirconia (Ni/YSZ) anode of an anode-supported SOFC and its regeneration. The cell was fueled with a synthetically produced diesel reformate to investigate and simulate the cell behavior under real operating conditions. For this purpose the cell was operated under load to determine the critical operating time. Rapid carbon generation, such as at open circuit voltage (OCV), can be prevented when the cell is under load. Carbon depositions were detected using scanning electron microscopy (SEM) and further analyzed by Raman spectroscopy. Industrial-size cells suitable for commercial applications were studied. This study proves the reversibility of carbon formation and the reproducibility of the regeneration process. It shows that carbon formations can be recognized and effectively, fully and cell-protecting regenerated. It indicates the excellent possibility of using SOFCs in the automotive industry as an auxiliary power unit (APU) or combined power-heat unit, operated with diesel reformate, without danger from cell degradation caused by carbon-containing fuels.

MOF-Derived Hollow Cage Nix Co3-x O4 and Their Synergy with Graphene for Outstanding Supercapacitors.

PubMed

Jayakumar, Anjali; Antony, Rajini P; Wang, Ronghua; Lee, Jong-Min

2017-03-01

Highly optimized nickel cobalt mixed oxide has been derived from zeolite imidazole frameworks. While the pure cobalt oxide gives only 178.7 F g -1 as the specific capacitance at a current density of 1 A g -1 , the optimized Ni:Co 1:1 has given an extremely high and unprecedented specific capacitance of 1931 F g -1 at a current density of 1 A g -1 , with a capacitance retention of 69.5% after 5000 cycles in a three electrode test. This optimized Ni:Co 1:1 mixed oxide is further used to make a composite of nickel cobalt mixed oxide/graphene 3D hydrogel for enhancing the electrochemical performance by virtue of a continuous and porous graphene conductive network. The electrode made from GNi:Co 1:1 successfully achieves an even higher specific capacitance of 2870.8 F g -1 at 1 A g -1 and also shows a significant improvement in the cyclic stability with 81% capacitance retention after 5000 cycles. An asymmetric supercapacitor is also assembled using a pure graphene 3D hydrogel as the negative electrode and the GNi:Co 1:1 as the positive electrode. With a potential window of 1.5 V and binder free electrodes, the capacitor gives a high specific energy density of 50.2 Wh kg -1 at a high power density of 750 W kg -1 . © 2017 WILEY-VCH Verlag GmbH & Co. KGaA, Weinheim.

Oxide particle size distribution from shearing irradiated and unirradiated LWR fuels in Zircaloy and stainless steel cladding: significance for risk assessment

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

Davis, W. Jr.; West, G.A.; Stacy, R.G.

1979-03-22

Sieve fractionation was performed with oxide particles dislodged during shearing of unirradiated or irradiated fuel bundles or single rods of UO/sub 2/ or 96 to 97% ThO/sub 2/--3 to 4% UO/sub 2/. Analyses of these data by nonlinear least-squares techniques demonstrated that the particle size distribution is lognormal. Variables involved in the numerical analyses include lognormal median size, lognormal standard deviation, and shear cut length. Sieve-fractionation data are presented for unirradiated bundles of stainless-steel-clad or Zircaloy-2-clad UO/sub 2/ or ThO/sub 2/--UO/sub 2/ sheared into lengths from 0.5 to 2.0 in. Data are also presented for irradiated single rods (sheared intomore » lengths of 0.25 to 2.0 in.) of Zircaloy-2-clad UO/sub 2/ from BWRs and of Zircaloy-4-clad UO/sub 2/ from PWRs. Median particle sizes of UO/sub 2/ from shearing irradiated stainless-steel-clad fuel ranged from 103 to 182 ..mu..m; particle sizes of ThO/sub 2/--UO/sub 2/, under these same conditions, ranged from 137 to 202 ..mu..m. Similarly, median particle sizes of UO/sub 2/ from shearing unirradiated Zircaloy-2-clad fuel ranged from 230 to 957 ..mu..m. Irradiation levels of fuels from reactors ranged from 9,000 to 28,000 MWd/MTU. In general, particle sizes from shearing these irradiated fuels are larger than those from the unirradiated fuels; however, unirradiated fuel from vendors was not available for performing comparative shearing experiments. In addition, variations in particle size parameters pertaining to samples of a single vendor varied as much as those between different vendors. The fraction of fuel dislodged from the cladding is nearly proportional to the reciprocal of the shear cut length, until the cut length attains some minimum value below which all fuel is dislodged. Particles of fuel are generally elongated with a long-to-short axis ratio usually less than 3. Using parameters of the lognormal distribution estimates can be made of fractions of dislodged fuel having dimensions less than specified values.« less

Comparison of gaseous exhaust indices of the F109 turbofan using three different blends of petroleum-based Jet-A and camelina-based Jet-A

NASA Astrophysics Data System (ADS)

Kozak, Brian John

This research project focused on the collection and comparison of gaseous exhaust emissions of the F109 turbofan engine using petroleum-based Jet-A and two different blends of camelina-based Jet-A. Simulated landing and takeoff cycles were used to collect gaseous exhaust emissions. Unburned hydrocarbon (HC), nitrogen oxide (NOx), and carbon moNOxide (CO) exhaust indices (EIm) were calculated using ICAO Annex 16 Volume II formulae. Statistical analyses were performed on the Elm data. There was no significant difference in HC EIm and CO EI m among the three fuels at takeoff thrust. There were significant differences among the fuels for NOx EIm. 50% Jet-A 50% camelina produced the highest NOx EIm, then 75% Jet-A 25% camelina and finally Jet-A. At climb thrust, both blends of camelina fuel produced higher NOx EIm but no difference in CO EIm and HC EIm as Jet-A. At approach thrust, both blends of camelina fuel produced higher NOx EIm, lower CO EIm, and no difference in HC EIm as Jet-A. At idle thrust, there was no significant difference among the fuels for NOx EIm. There were significant differences among the fuels for HC EIm. Jet-A and 50% Jet-A 50% both produced higher HC EIm as 75% Jet-A 25% camelina. There were significant differences among the fuels for CO EI m. Jet-A produced the highest CO EIm, then 75% Jet-A 25% camelina and finally 50% Jet-A 50% camelina.

Competitive Binding of Natural Amphiphiles with Graphene Derivatives

PubMed Central

Radic, Slaven; Geitner, Nicholas K.; Podila, Ramakrishna; Käkinen, Aleksandr; Chen, Pengyu; Ke, Pu Chun; Ding, Feng

2013-01-01

Understanding the transformation of graphene derivatives by natural amphiphiles is essential for elucidating the biological and environmental implications of this emerging class of engineered nanomaterials. Using rapid discrete-molecular-dynamics simulations, we examined the binding of graphene and graphene oxide with peptides, fatty acids, and cellulose, and complemented our simulations by experimental studies of Raman spectroscopy, FTIR, and UV-Vis spectrophotometry. Specifically, we established a connection between the differential binding and the conformational flexibility, molecular geometry, and hydrocarbon content of the amphiphiles. Importantly, our dynamics simulations revealed a Vroman-like competitive binding of the amphiphiles for the graphene oxide substrate. This study provides a mechanistic basis for addressing the transformation, evolution, transport, biocompatibility, and toxicity of graphene derivatives in living systems and the natural environment. PMID:23881402

Competitive Binding of Natural Amphiphiles with Graphene Derivatives

NASA Astrophysics Data System (ADS)

Radic, Slaven; Geitner, Nicholas K.; Podila, Ramakrishna; Käkinen, Aleksandr; Chen, Pengyu; Ke, Pu Chun; Ding, Feng

2013-07-01

Understanding the transformation of graphene derivatives by natural amphiphiles is essential for elucidating the biological and environmental implications of this emerging class of engineered nanomaterials. Using rapid discrete-molecular-dynamics simulations, we examined the binding of graphene and graphene oxide with peptides, fatty acids, and cellulose, and complemented our simulations by experimental studies of Raman spectroscopy, FTIR, and UV-Vis spectrophotometry. Specifically, we established a connection between the differential binding and the conformational flexibility, molecular geometry, and hydrocarbon content of the amphiphiles. Importantly, our dynamics simulations revealed a Vroman-like competitive binding of the amphiphiles for the graphene oxide substrate. This study provides a mechanistic basis for addressing the transformation, evolution, transport, biocompatibility, and toxicity of graphene derivatives in living systems and the natural environment.

Formation of well-mixed warm water column in central Bohai Sea during summer: Role of high-frequency atmospheric forcing

NASA Astrophysics Data System (ADS)

Ma, Weiwei; Wan, Xiuquan; Wang, Zhankun; Liu, Yulong; Wan, Kai

2017-12-01

The influence of high-frequency atmospheric forcing on the formation of a well-mixed summer warm water column in the central Bohai Sea is investigated comparing model simulations driven by daily surface forcing and those using monthly forcing data. In the absence of high-frequency atmospheric forcing, numerical simulations have repeatedly failed to reproduce this vertically uniform column of warm water measured over the past 35 years. However, high-frequency surface forcing is found to strongly influence the structure and distribution of the well-mixed warm water column, and simulations are in good agreement with observations. Results show that high frequency forcing enhances vertical mixing over the central bank, intensifies downward heat transport, and homogenizes the water column to form the Bohai central warm column. Evidence presented shows that high frequency forcing plays a dominant role in the formation of the well-mixed warm water column in summer, even without the effects of tidal and surface wave mixing. The present study thus provides a practical and rational way of further improving the performance of oceanic simulations in the Bohai Sea and can be used to adjust parameterization schemes of ocean models.

Oxygen ion-conducting dense ceramic

DOEpatents

Balachandran, Uthamalingam; Kleefisch, Mark S.; Kobylinski, Thaddeus P.; Morissette, Sherry L.; Pei, Shiyou

1996-01-01

Preparation, structure, and properties of mixed metal oxide compositions containing at least strontium, cobalt, iron and oxygen are described. The crystalline mixed metal oxide compositions of this invention have, for example, structure represented by Sr.sub..alpha. (Fe.sub.1-x Co.sub.x).sub..alpha.+.beta. O.sub..delta. where x is a number in a range from 0.01 to about 1, .alpha. is a number in a range from about 1 to about 4, .beta. is a number in a range upward from 0 to about 20, and .delta. is a number which renders the compound charge neutral, and wherein the composition has a non-perovskite structure. Use of the mixed metal oxides in dense ceramic membranes which exhibit oxygen ionic conductivity and selective oxygen separation, are described as well as their use in separation of oxygen from an oxygen-containing gaseous mixture.

Oxygen ion-conducting dense ceramic

DOEpatents

Balachandran, Uthamalingam; Kleefisch, Mark S.; Kobylinski, Thaddeus P.; Morissette, Sherry L.; Pei, Shiyou

1997-01-01

Preparation, structure, and properties of mixed metal oxide compositions containing at least strontium, cobalt, iron and oxygen are described. The crystalline mixed metal oxide compositions of this invention have, for example, structure represented by Sr.sub..alpha. (Fe.sub.1-x Co.sub.x).sub..alpha.+.beta. O.sub..delta. where x is a number in a range from 0.01 to about 1, .alpha. is a number in a range from about 1 to about 4, .beta. is a number in a range upward from 0 to about 20, and .delta. is a number which renders the compound charge neutral, and wherein the composition has a non-perovskite structure. Use of the mixed metal oxides in dense ceramic membranes which exhibit oxygen ionic conductivity and selective oxygen separation, are described as well as their use in separation of oxygen from an oxygen-containing gaseous mixture.

Molecular Dynamics Simulations Reveal Proton Transfer Pathways in Cytochrome C-Dependent Nitric Oxide Reductase

PubMed Central

Pisliakov, Andrei V.; Hino, Tomoya; Shiro, Yoshitsugu; Sugita, Yuji

2012-01-01

Nitric oxide reductases (NORs) are membrane proteins that catalyze the reduction of nitric oxide (NO) to nitrous oxide (N2O), which is a critical step of the nitrate respiration process in denitrifying bacteria. Using the recently determined first crystal structure of the cytochrome c-dependent NOR (cNOR) [Hino T, Matsumoto Y, Nagano S, Sugimoto H, Fukumori Y, et al. (2010) Structural basis of biological N2O generation by bacterial nitric oxide reductase. Science 330: 1666–70.], we performed extensive all-atom molecular dynamics (MD) simulations of cNOR within an explicit membrane/solvent environment to fully characterize water distribution and dynamics as well as hydrogen-bonded networks inside the protein, yielding the atomic details of functionally important proton channels. Simulations reveal two possible proton transfer pathways leading from the periplasm to the active site, while no pathways from the cytoplasmic side were found, consistently with the experimental observations that cNOR is not a proton pump. One of the pathways, which was newly identified in the MD simulation, is blocked in the crystal structure and requires small structural rearrangements to allow for water channel formation. That pathway is equivalent to the functional periplasmic cavity postulated in cbb 3 oxidase, which illustrates that the two enzymes share some elements of the proton transfer mechanisms and confirms a close evolutionary relation between NORs and C-type oxidases. Several mechanisms of the critical proton transfer steps near the catalytic center are proposed. PMID:22956904

Tabulated Neutron Emission Rates for Plutonium Oxide

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

Shores, Erik Frederick

This work tabulates neutron emission rates for 80 plutonium oxide samples as reported in the literature. Plutonium-­238 and plutonium-­239 oxides are included and such emission rates are useful for scaling tallies from Monte Carlo simulations and estimating dose rates for health physics applications.

Solid-state membrane module

DOEpatents

Gordon, John Howard [Salt Lake City, UT; Taylor, Dale M [Murray, UT

2011-06-07

Solid-state membrane modules comprising at least one membrane unit, where the membrane unit has a dense mixed conducting oxide layer, and at least one conduit or manifold wherein the conduit or manifold comprises a dense layer and at least one of a porous layer and a slotted layer contiguous with the dense layer. The solid-state membrane modules may be used to carry out a variety of processes including the separating of any ionizable component from a feedstream wherein such ionizable component is capable of being transported through a dense mixed conducting oxide layer of the membrane units making up the membrane modules. For ease of construction, the membrane units may be planar.

Thermodynamic and achievable efficiencies for solar-driven electrochemical reduction of carbon dioxide to transportation fuels

DOE PAGES

Singh, Meenesh R.; Clark, Ezra L.; Bell, Alexis T.

2015-10-26

Thermodynamic, achievable, and realistic efficiency limits of solar-driven electrochemical conversion of water and carbon dioxide to fuels are investigated as functions of light-absorber composition and configuration, and catalyst composition. The maximum thermodynamic efficiency at 1-sun illumination for adiabatic electrochemical synthesis of various solar fuels is in the range of 32–42%. Single-, double-, and triple-junction light absorbers are found to be optimal for electrochemical load ranges of 0–0.9 V, 0.9–1.95 V, and 1.95–3.5 V, respectively. Achievable solar-to-fuel (STF) efficiencies are determined using ideal double- and triple-junction light absorbers and the electrochemical load curves for CO 2 reduction on silver and coppermore » cathodes, and water oxidation kinetics over iridium oxide. The maximum achievable STF efficiencies for synthesis gas (H 2 and CO) and Hythane (H 2 and CH 4) are 18.4% and 20.3%, respectively. Whereas the realistic STF efficiency of photoelectrochemical cells (PECs) can be as low as 0.8%, tandem PECs and photovoltaic (PV)-electrolyzers can operate at 7.2% under identical operating conditions. Finally, we show that the composition and energy content of solar fuels can also be adjusted by tuning the band-gaps of triple-junction light absorbers and/or the ratio of catalyst-to-PV area, and that the synthesis of liquid products and C 2H 4 have high profitability indices.« less

Thermodynamic and achievable efficiencies for solar-driven electrochemical reduction of carbon dioxide to transportation fuels

PubMed Central

Singh, Meenesh R.; Clark, Ezra L.; Bell, Alexis T.

2015-01-01

Thermodynamic, achievable, and realistic efficiency limits of solar-driven electrochemical conversion of water and carbon dioxide to fuels are investigated as functions of light-absorber composition and configuration, and catalyst composition. The maximum thermodynamic efficiency at 1-sun illumination for adiabatic electrochemical synthesis of various solar fuels is in the range of 32–42%. Single-, double-, and triple-junction light absorbers are found to be optimal for electrochemical load ranges of 0–0.9 V, 0.9–1.95 V, and 1.95–3.5 V, respectively. Achievable solar-to-fuel (STF) efficiencies are determined using ideal double- and triple-junction light absorbers and the electrochemical load curves for CO2 reduction on silver and copper cathodes, and water oxidation kinetics over iridium oxide. The maximum achievable STF efficiencies for synthesis gas (H2 and CO) and Hythane (H2 and CH4) are 18.4% and 20.3%, respectively. Whereas the realistic STF efficiency of photoelectrochemical cells (PECs) can be as low as 0.8%, tandem PECs and photovoltaic (PV)-electrolyzers can operate at 7.2% under identical operating conditions. We show that the composition and energy content of solar fuels can also be adjusted by tuning the band-gaps of triple-junction light absorbers and/or the ratio of catalyst-to-PV area, and that the synthesis of liquid products and C2H4 have high profitability indices. PMID:26504215

Multiscale model of metal alloy oxidation at grain boundaries

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

Sushko, Maria L.; Alexandrov, Vitali Y.; Schreiber, Daniel K.

2015-06-07

High temperature intergranular oxidation and corrosion of metal alloys is one of the primary causes of materials degradation in nuclear systems. In order to gain insights into grain boundary oxidation processes, a mesoscale metal alloy oxidation model at experimentally relevant length scales is established by combining quantum Density Functional Theory (DFT) and mesoscopic Poisson-Nernst-Planck/classical DFT with predictions focused on Ni alloyed with either Cr or Al. Analysis of species and fluxes at steady-state conditions indicates that the oxidation process involves vacancy-mediated transport of Ni and the minor alloying element to the oxidation front and the formation of stable metal oxides.more » The simulations further demonstrate that the mechanism of oxidation for Ni-5Cr and Ni-4Al is qualitatively different. Intergranular oxidation of Ni-5Cr involves the selective oxidation of the minor element and not matrix Ni, due to slower diffusion of Ni relative to Cr in the alloy and due to the significantly smaller energy gain upon the formation of nickel oxide compared to that of Cr2O3. This essentially one-component oxidation process results in continuous oxide formation and a monotonic Cr vacancy distribution ahead of the oxidation front, peaking at alloy/oxide interface. In contrast, Ni and Al are both oxidized in Ni-4Al forming a mixed spinel NiAl2O4. Different diffusivities of Ni and Al give rise to a complex elemental distribution in the vicinity of the oxidation front. Slower diffusing Ni accumulates in the oxide and metal within 3 nm of the interface, while Al penetrates deeper into the oxide phase. Ni and Al are both depleted from the region 3–10 nm ahead of the oxidation front creating voids. The oxide microstructure is also different. Cr2O3 has a plate-like structure with 1.2 - 1.7 nm wide pores running along the grain boundary, while NiAl2O4 has 1.5 nm wide pores in the direction parallel to the grain boundary and 0.6 nm pores in the perpendicular direction providing an additional pathway for oxygen diffusion through the oxide.« less

Methodology for Formulating Diesel Surrogate Fuels with Accurate Compositional, Ignition-Quality, and Volatility Characteristics

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

Mueller, Charles J.; Cannella, William J.; Bruno, Thomas J.

In this study, a novel approach was developed to formulate surrogate fuels having characteristics that are representative of diesel fuels produced from real-world refinery streams. Because diesel fuels typically consist of hundreds of compounds, it is difficult to conclusively determine the effects of fuel composition on combustion properties. Surrogate fuels, being simpler representations of these practical fuels, are of interest because they can provide a better understanding of fundamental fuel-composition and property effects on combustion and emissions-formation processes in internal-combustion engines. In addition, the application of surrogate fuels in numerical simulations with accurate vaporization, mixing, and combustion models could revolutionizemore » future engine designs by enabling computational optimization for evolving real fuels. Dependable computational design would not only improve engine function, it would do so at significant cost savings relative to current optimization strategies that rely on physical testing of hardware prototypes. The approach in this study utilized the stateof- the-art techniques of 13C and 1H nuclear magnetic resonance spectroscopy and the advanced distillation curve to characterize fuel composition and volatility, respectively. The ignition quality was quantified by the derived cetane number. Two wellcharacterized, ultra-low-sulfur #2 diesel reference fuels produced from refinery streams were used as target fuels: a 2007 emissions certification fuel and a Coordinating Research Council (CRC) Fuels for Advanced Combustion Engines (FACE) diesel fuel. A surrogate was created for each target fuel by blending eight pure compounds. The known carbon bond types within the pure compounds, as well as models for the ignition qualities and volatilities of their mixtures, were used in a multiproperty regression algorithm to determine optimal surrogate formulations. The predicted and measured surrogate-fuel properties were quantitatively compared to the measured target-fuel properties, and good agreement was found. This paper is dedicated to the memory of our friend and colleague Jim Franz. Funding for this research was provided by the U.S. Department of Energy (U.S. DOE) Office of Vehicle Technologies, and by the Coordinating Research Council (CRC) and the companies that employ the CRC members. The study was conducted under the auspices of CRC. The authors thank U.S. DOE program manager Kevin Stork for supporting the participation of the U.S. national laboratories in this study.« less

Positive electrode for a lithium battery

DOEpatents

Park, Sang-Ho; Amine, Khalil

2015-04-07

A method for producing a lithium alkali transition metal oxide for use as a positive electrode material for lithium secondary batteries by a precipitation method. The positive electrode material is a lithium alkali transition metal composite oxide and is prepared by mixing a solid state mixed with alkali and transition metal carbonate and a lithium source. The mixture is thermally treated to obtain a small amount of alkali metal residual in the lithium transition metal composite oxide cathode material.

Improving Mixed-phase Cloud Parameterization in Climate Model with the ACRF Measurements

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

Wang, Zhien

Mixed-phase cloud microphysical and dynamical processes are still poorly understood, and their representation in GCMs is a major source of uncertainties in overall cloud feedback in GCMs. Thus improving mixed-phase cloud parameterizations in climate models is critical to reducing the climate forecast uncertainties. This study aims at providing improved knowledge of mixed-phase cloud properties from the long-term ACRF observations and improving mixed-phase clouds simulations in the NCAR Community Atmosphere Model version 5 (CAM5). The key accomplishments are: 1) An improved retrieval algorithm was developed to provide liquid droplet concentration for drizzling or mixed-phase stratiform clouds. 2) A new ice concentrationmore » retrieval algorithm for stratiform mixed-phase clouds was developed. 3) A strong seasonal aerosol impact on ice generation in Arctic mixed-phase clouds was identified, which is mainly attributed to the high dust occurrence during the spring season. 4) A suite of multi-senor algorithms was applied to long-term ARM observations at the Barrow site to provide a complete dataset (LWC and effective radius profile for liquid phase, and IWC, Dge profiles and ice concentration for ice phase) to characterize Arctic stratiform mixed-phase clouds. This multi-year stratiform mixed-phase cloud dataset provides necessary information to study related processes, evaluate model stratiform mixed-phase cloud simulations, and improve model stratiform mixed-phase cloud parameterization. 5). A new in situ data analysis method was developed to quantify liquid mass partition in convective mixed-phase clouds. For the first time, we reliably compared liquid mass partitions in stratiform and convective mixed-phase clouds. Due to the different dynamics in stratiform and convective mixed-phase clouds, the temperature dependencies of liquid mass partitions are significantly different due to much higher ice concentrations in convective mixed phase clouds. 6) Systematic evaluations of mixed-phase cloud simulations by CAM5 were performed. Measurement results indicate that ice concentrations control stratiform mixed-phase cloud properties. The improvement of ice concentration parameterization in the CAM5 was done in close collaboration with Dr. Xiaohong Liu, PNNL (now at University of Wyoming).« less

Application of Ni-Oxide@TiO₂ Core-Shell Structures to Photocatalytic Mixed Dye Degradation, CO Oxidation, and Supercapacitors.

PubMed

Lee, Seungwon; Lee, Jisuk; Nam, Kyusuk; Shin, Weon Gyu; Sohn, Youngku

2016-12-20

Performing diverse application tests on synthesized metal oxides is critical for identifying suitable application areas based on the material performances. In the present study, Ni-oxide@TiO₂ core-shell materials were synthesized and applied to photocatalytic mixed dye (methyl orange + rhodamine + methylene blue) degradation under ultraviolet (UV) and visible lights, CO oxidation, and supercapacitors. Their physicochemical properties were examined by field-emission scanning electron microscopy, X-ray diffraction analysis, Fourier-transform infrared spectroscopy, and UV-visible absorption spectroscopy. It was shown that their performances were highly dependent on the morphology, thermal treatment procedure, and TiO₂ overlayer coating.

Application of Ni-Oxide@TiO2 Core-Shell Structures to Photocatalytic Mixed Dye Degradation, CO Oxidation, and Supercapacitors

PubMed Central

Lee, Seungwon; Lee, Jisuk; Nam, Kyusuk; Shin, Weon Gyu; Sohn, Youngku

2016-01-01

Performing diverse application tests on synthesized metal oxides is critical for identifying suitable application areas based on the material performances. In the present study, Ni-oxide@TiO2 core-shell materials were synthesized and applied to photocatalytic mixed dye (methyl orange + rhodamine + methylene blue) degradation under ultraviolet (UV) and visible lights, CO oxidation, and supercapacitors. Their physicochemical properties were examined by field-emission scanning electron microscopy, X-ray diffraction analysis, Fourier-transform infrared spectroscopy, and UV-visible absorption spectroscopy. It was shown that their performances were highly dependent on the morphology, thermal treatment procedure, and TiO2 overlayer coating. PMID:28774145

Structure and photoluminescence studies of CeO2·CuAlO2 mixed metal oxide fabricated by co-precipitation method

NASA Astrophysics Data System (ADS)

Subhan, Md Abdus; Ahmed, Tanzir; Awal, M. R.; Kim, B. Moon

2015-01-01

A novel mixed metal oxide, CeO2·CuAlO2 was fabricated by co-precipitation method in aqueous medium. CeO2·CuAlO2 was characterized by XRD, SEM, EDS, TEM, FTIR and PL spectra. The optical properties of the nanoparticles were studied by photoluminescence (PL) spectra. PL spectra at different excitations were recorded. The composite showed emission in UV, visible and NIR region depending on the excitation wavelength. The special spectral feature observed for this composite is that it showed six emission bands at 364, 409, 434, 448, 465 and 481 nm when excited at 298 nm. The green and red emissions observed at 512 and 669 nm are originated from cubic CeO2 phase when excited at 450 nm. The PL spectra were found to be dependent on excitation wavelength violating Kasha's rule. The X-ray diffraction reveals a cubic CeO2 phase and hexagonal CuAlO2 phase. EDS spectra revealed the presence of cerium (Ce), copper (Cu), aluminum (Al) and oxygen (O) elements. The particle size of the CeO2·CuAlO2 mixed oxide was estimated using Scherrer's formula, which was found to be in the range of 17.2-34.2 nm. The TEM image showed particles are almost uniform size of approximately 15-50 nm with spherical morphology.

Application of SR Methods for the Study of Nanocomposite Materials for Hydrogen Energy

NASA Astrophysics Data System (ADS)

Sadykov, V. A.; Pavlova, S. N.; Vinokurov, Z. S.; Shmakov, A. N.; Eremeev, N. F.; Fedorova, Yu. E.; Yakimchuk, E. P.; Kriventsov, V. V.; Bolotov, V. A.; Tanashev, Yu. Yu.; Sadovskaya, E. M.; Cherepanova, S. V.; Zolotarev, K. V.

This work summarizes results of synchrotron radiation (SR) studies of the real/defect structure of nanocrystalline/nanocomposite oxide materials, which determines their functional properties in hydrogen energy field as catalysts and mixed ionic electronic conductors (cathodes and anodes of solid oxide fuel cells, oxygen separation membranes). For nanocrystalline ceria-zirconia mixed oxide prepared via modified Pechini route using ethanol solution of reagents, a high spatial uniformity of cations distribution between domains along with the oxygen sublattice deficiency revealed by full-profile Rietveld refinement of SR diffraction data provide structure disordering enhancing oxygen mobility. For PrNi0.5Co0.5O3-δ - Ce0.9Y0.1O2-δ nanocomposite extensive transfer of Pr cations into fluorite domains generates a new path of fast oxygen diffusion along chains of Pr3+ - Pr4+ cations as directly proved by analysis of the unit cell relaxation after changing pO2 in perfect agreement with data obtained by oxygen isotope heteroexchange.

Facile preparation of highly-dispersed cobalt-silicon mixed oxide nanosphere and its catalytic application in cyclohexane selective oxidation

PubMed Central

2011-01-01

Highly dispersed cobalt-silicon mixed oxide [Co-SiO2] nanosphere was successfully prepared with a modified reverse-phase microemulsion method. This material was characterized in detail by X-ray diffraction, transmission electron microscopy, Fourier transform infrared, ultraviolet-visible diffuse reflectance spectra, X-ray absorption spectroscopy near-edge structure, and N2 adsorption-desorption measurements. High valence state cobalt could be easily obtained without calcination, which is fascinating for the catalytic application for its strong oxidation ability. In the selective oxidation of cyclohexane, Co-SiO2 acted as an efficient catalyst, and good activity could be obtained under mild conditions. PMID:22067075

Canopy arthropod responses to thinning and burning treatments in old-growth mixed-conifer forest in the Sierra Nevada, California

Treesearch

Thomas Rambo; Timothy Schowalter; Malcolm North

2014-01-01

We compared canopy arthropod responses to common fuels reduction treatments at Teakettle Experimental Forest in the south-central Sierra Nevada of California. We sampled arthropod communities among four dominant overstory conifer species and three dominant understory angiosperm species before and after overstory or understory thinning or no thinning treatments followed...

Anode-supported single-chamber solid oxide fuel cell based on cobalt-free composite cathode of Nd0.5Sr0.5Fe0.8Cu0.2O3-δ-Sm0.2Ce0.8O1.9 at intermediate temperatures

NASA Astrophysics Data System (ADS)

Yin, Jie-Wei; Zhang, Chunming; Yin, Yi-Mei; Shi, Huangang; Lin, Ye; Lu, Jun; Ma, Zi-Feng

2015-07-01

As a candidate of cathode material of single-chamber solid oxide fuel cell (SC-SOFC), cobalt-free mixed ionic electronic conductor (MIEC) Nd0.5Sr0.5Fe0.8Cu0.2O3-δ (NSFCu) is synthesized by sol-gel method with ethylene diamine tetraacetic acid and citric acid as co-complexing agents. The XRD shows NSFCu is stable after CO2 treatment and chemical compatible with SDC at high temperatures. CO2-TPD (CO2-temperature programmed desorption) demonstrates both CO2 adsorption and desorption phenomenon on NSFCu surface. However, the polarization resistances (Rp) of NSFCu and SDC (10:4 in weight) composite electrodes showed no decay in 5% CO2. Single cell using N2-O2-CH4 mixed gas (CH4 to O2 ratio = 1.5) as fuel shows maximum power density of 635 mW cm-2 at 700 °C. These results suggest that NSFCu-SDC is a promising composite cathode material for application in single-chamber solid oxide fuel cell.

Comparisons of Mixed-Phase Icing Cloud Simulations with Experiments Conducted at the NASA Propulsion Systems Laboratory

NASA Technical Reports Server (NTRS)

Bartkus, Tadas; Tsao, Jen-Ching; Struk, Peter

2017-01-01

This paper builds on previous work that compares numerical simulations of mixed-phase icing clouds with experimental data. The model couples the thermal interaction between ice particles and water droplets of the icing cloud with the flowing air of an icing wind tunnel for simulation of NASA Glenn Research Centers (GRC) Propulsion Systems Laboratory (PSL). Measurements were taken during the Fundamentals of Ice Crystal Icing Physics Tests at the PSL tunnel in March 2016. The tests simulated ice-crystal and mixed-phase icing that relate to ice accretions within turbofan engines.

Human influence on the abundance and connectivity of high-risk fuels in mixed forests of northern Wisconsin, USA

Treesearch

Brian R. Sturtevant; Patrick A. Zollner; Eric J. Gustafson; David T. Cleland

2004-01-01

Though fire is considered a "natural" disturbance, humans heavily influence modern wildfire regimes. Humans influence fires both directly, by igniting and suppressing fires, and indirectly, by either altering vegetation, climate, or both. We used the LANDIS disturbance and succession model to compare the relative importance of a direct human influence...

Radiant flux density, energy density, and fuel consumption in mixed-oak forest surface fires

Treesearch

R.L. Kremens; M.B. Dickinson; A.S. Bova

2012-01-01

Closing the wildland fire heat budget involves characterising the heat source and energy dissipation across the range of variability in fuels and fire behaviour. Meeting this challenge will lay the foundation for predicting direct ecological effects of fires and fire-atmosphere coupling. In this paper, we focus on the relationships between the fire radiation field, as...

Global reaction mechanism for the auto-ignition of full boiling range gasoline and kerosene fuels

NASA Astrophysics Data System (ADS)

Vandersickel, A.; Wright, Y. M.; Boulouchos, K.

2013-12-01

Compact reaction schemes capable of predicting auto-ignition are a prerequisite for the development of strategies to control and optimise homogeneous charge compression ignition (HCCI) engines. In particular for full boiling range fuels exhibiting two stage ignition a tremendous demand exists in the engine development community. The present paper therefore meticulously assesses a previous 7-step reaction scheme developed to predict auto-ignition for four hydrocarbon blends and proposes an important extension of the model constant optimisation procedure, allowing for the model to capture not only ignition delays, but also the evolutions of representative intermediates and heat release rates for a variety of full boiling range fuels. Additionally, an extensive validation of the later evolutions by means of various detailed n-heptane reaction mechanisms from literature has been presented; both for perfectly homogeneous, as well as non-premixed/stratified HCCI conditions. Finally, the models potential to simulate the auto-ignition of various full boiling range fuels is demonstrated by means of experimental shock tube data for six strongly differing fuels, containing e.g. up to 46.7% cyclo-alkanes, 20% napthalenes or complex branched aromatics such as methyl- or ethyl-napthalene. The good predictive capability observed for each of the validation cases as well as the successful parameterisation for each of the six fuels, indicate that the model could, in principle, be applied to any hydrocarbon fuel, providing suitable adjustments to the model parameters are carried out. Combined with the optimisation strategy presented, the model therefore constitutes a major step towards the inclusion of real fuel kinetics into full scale HCCI engine simulations.

Hydrogen Fueled Hybrid Solid Oxide Fuel Cell-Gas Turbine (SOFC-GT) System for Long-Haul Rail Application

NASA Astrophysics Data System (ADS)

Chow, Justin Jeff

Freight movement of goods is the artery for America's economic health. Long-haul rail is the premier mode of transport on a ton-mile basis. Concerns regarding greenhouse gas and criteria pollutant emissions, however, have motivated the creation of annually increasing locomotive emissions standards. Health issues from diesel particulate matter, especially near rail yards, have also been on the rise. These factors and the potential to raise conventional diesel-electric locomotive performance warrants the investigation of using future fuels in a more efficient system for locomotive application. This research evaluates the dynamic performance of a Solid Oxide Fuel Cell-Gas Turbine (SOFC-GT) Hybrid system operating on hydrogen fuel to power a locomotive over a rail path starting from the Port of Los Angeles and ending in the City of Barstow. Physical constraints, representative locomotive operation logic, and basic design are used from a previous feasibility study and simulations are performed in the MATLAB Simulink environment. In-house controls are adapted to and expanded upon. Results indicate high fuel-to-electricity efficiencies of at least 54% compared to a conventional diesel-electric locomotive efficiency of 35%. Incorporation of properly calibrated feedback and feed-forward controls enables substantial load following of difficult transients that result from train kinematics while maintaining turbomachinery operating requirements and suppressing thermal stresses in the fuel cell stack. The power split between the SOFC and gas turbine is deduced to be a deterministic factor in the balance between capital and operational costs. Using hydrogen results in no emissions if renewable and offers a potential of 24.2% fuel energy savings for the rail industry.

Variability in vegetation and surface fuels across mixed-conifer-dominated landscapes with over 40 years of natural fire

Treesearch

Brandon M. Collins; Jamie M. Lydersen; Danny L. Fry; Katherine Wilkin; Tadashi Moody; Scott L. Stephens

2016-01-01

Studies of historical fire and vegetation conditions in dry conifer forests have demonstrated a high degree of heterogeneity across landscapes. However, there is a limit to the amount of inference that can be drawn from historical fire reconstructions. Contemporary "reference" landscapes may be able to provide information that is not available from historical...

Analysis of microbial community variation during the mixed culture fermentation of agricultural peel wastes to produce lactic acid.

PubMed

Liang, Shaobo; Gliniewicz, Karol; Gerritsen, Alida T; McDonald, Armando G

2016-05-01

Mixed cultures fermentation can be used to convert organic wastes into various chemicals and fuels. This study examined the fermentation performance of four batch reactors fed with different agricultural (orange, banana, and potato (mechanical and steam)) peel wastes using mixed cultures, and monitored the interval variation of reactor microbial communities with 16S rRNA genes using Illumina sequencing. All four reactors produced similar chemical profile with lactic acid (LA) as dominant compound. Acetic acid and ethanol were also observed with small fractions. The Illumina sequencing results revealed the diversity of microbial community decreased during fermentation and a community of largely lactic acid producing bacteria dominated by species of Lactobacillus developed. Copyright © 2016 Elsevier Ltd. All rights reserved.

Simulating avian species and foraging group responses to fuel reduction treatments in coniferous forests

Treesearch

Angela M. White; Elise F. Zipkin; Patricia N. Manley; Matthew D. Schlesinger

2013-01-01

Over a century of fire suppression activities have altered the structure and composition of mixed conifer forests throughout the western United States. In the absence of fire, fuels have accumulated in these forests causing concerns over the potential for catastrophic wildfires. Fuel reduction treatments are being used on federal and state lands to reduce the threat of...

Human influence on the abundance and connectivity of high-risk fuels in mixed forests of northern Wisconsin, USA

Treesearch

Brian R. Sturtevant; Patrick A. Zoller; Eric J. Gustafson; David T. Cleland

2004-01-01

Though fire is considered a "natural" disturbance, humans heavily influence modern wildfire regimes. Humans influence fires both directly, by igniting and suppressing fires, and indirectly, by either altering vegetation, climate, or both. We used the LANDIS disturbance and succession model to compare the relative importance of a direct human influence (...