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Combinatorial shape decomposition  

Science Conference Proceedings (OSTI)

We formulate decomposition of two-dimensional shapes as a combinatorial optimization problem and present a dynamic programming algorithm that solves it.

Ralf Juengling; Melanie Mitchell



Kinetics of Thermal Decomposition of Cubic Ammonium Perchlorate  

E-Print Network (OSTI)

and scientists who are interested in simulating the fire/structural performance of buildings and other structures., Desai, P. D., Li, H. H., and Ho, C. Y., "Ther- mophysical Properties of Stainless Steels," Thermochim

Utah, University of


Erbium hydride decomposition kinetics.  

DOE Green Energy (OSTI)

Thermal desorption spectroscopy (TDS) is used to study the decomposition kinetics of erbium hydride thin films. The TDS results presented in this report are analyzed quantitatively using Redhead's method to yield kinetic parameters (E{sub A} {approx} 54.2 kcal/mol), which are then utilized to predict hydrogen outgassing in vacuum for a variety of thermal treatments. Interestingly, it was found that the activation energy for desorption can vary by more than 7 kcal/mol (0.30 eV) for seemingly similar samples. In addition, small amounts of less-stable hydrogen were observed for all erbium dihydride films. A detailed explanation of several approaches for analyzing thermal desorption spectra to obtain kinetic information is included as an appendix.

Ferrizz, Robert Matthew



large map to ther sections  

E-Print Network (OSTI)

intersection at Coolidge and Hagar drives. · After Coolidge makes a sweeping left turn it becomes McLaughlin Dr the Stevenson College driveway and across McLaughlin and look for the stone steps leading to the Garden entrance. Use caution crossing McLaughlin and on the steps, which can be slippery. · Come on in. Welcome

California at Santa Cruz, University of


Spectral WaveTurbulence Decomposition  

Science Conference Proceedings (OSTI)

A new method of waveturbulence decomposition is introduced, for which the only instrument required is one high-frequency pointwise velocity sensor. This is a spectral method that assumes equilibrium turbulence and no waveturbulence interaction. ...

Jeremy D. Bricker; Stephen G. Monismith



Factors of characteristic words: Location and decompositions  

Science Conference Proceedings (OSTI)

Let @a be an irrational number with 0Keywords: Characteristic word, Decomposition, Location, Overlap factor, Return words, Separate factor

Wai-Fong Chuan; Hui-Ling Ho



Infinite order decompositions of C$^*$-algebras  

E-Print Network (OSTI)

In the given article infinite order decompositions of C*-algebras are investigated. It is proved that for the infinite order decomposition of a C*-algebra A with respect to an infinite orthogonal set of projections of A, if the diagonal components of the infinite order decomposition are von Neumann algebras then the infinite order decomposition is a von Neumann algebra. Also, it is proved that, if a C*-algebra A with an infinite orthogonal set of projections such, that the least upper bound of this set is 1, is not a von Nemann algebra, projections of the set are pearwise equivalent then A does not coincide with its infinite order decomposition, and, if the infinite order decomposition is not weakly closed then this infinite order decomposition is not a C*-algebra.

Arzikulov, F N



Distributed Energy Harvesting for Energy Neutral Sensor Networks  

E-Print Network (OSTI)

adja@cs.berkeley.edu Energy Harvesting Projects EDITORSdevices that combine energy harvesting and data acquisition.kinetic and ther- mal energy harvesting from human users

Kansal, Aman; Srivastava, Mani B.




E-Print Network (OSTI)

[4] A. Berkelaar, C .Dert, B. Oldenkamp, and S. Zhang. A primal-dual decomposition-based interior point approach to two-stage stochastic linear programming.


Thermal decomposition of mercuric sulfide  

Science Conference Proceedings (OSTI)

The rate of thermal decomposition of mercuric sulfide (HgS) has been measured at temperatures from 265 to 345 C. These data have been analyzed using a first-order chemical reaction model for the time dependence of the reaction and the Arrhenius equation for the temperature dependence of the rate constant. Using this information, the activation energy for the reaction was found to be 55 kcal/mol. Significant reaction vessel surface effects obscured the functional form of the time dependence of the initial portion of the reaction. The data and the resulting time-temperature reaction-rate model were used to predict the decomposition rate of HgS as a function of time and temperature in thermal treatment systems. Data from large-scale thermal treatment studies already completed were interpreted in terms of the results of this study. While the data from the large-scale thermal treatment studies were consistent with the data from this report, mass transport effects may have contributed to the residual amount of mercury which remained in the soil after most of the large-scale runs.

Leckey, J.H.; Nulf, L.E.



Temperature Sensitivity of Black Carbon Decomposition and  

E-Print Network (OSTI)

Temperature Sensitivity of Black Carbon Decomposition and Oxidation B I N H T H A N H N G U Y E N to physical protection, chemical recalcitrance influences SOC decomposition rates. Black carbon (BC isotope geochemistry and nanomorphology of soil black carbon: Black chernozemic soils in central Europe

Lehmann, Johannes


Triangular decomposition of semi-algebraic systems  

Science Conference Proceedings (OSTI)

Regular chains and triangular decompositions are fundamental and well-developed tools for describing the complex solutions of polynomial systems. This paper proposes adaptations of these tools focusing on solutions of the real analogue: semi-algebraic ... Keywords: border polynomial, fingerprint polynomial set, regular chain, regular semi-algebraic system, triangular decomposition

Changbo Chen; James H. Davenport; John P. May; Marc Moreno Maza; Bican Xia; Rong Xiao



Thermocatalytic decomposition of vulcanized rubber  

E-Print Network (OSTI)

Used vulcanized rubber tires have caused serious trouble worldwide. Current disposal and recycling methods all have undesirable side effects, and they generally do not produce maximum benefits. A thermocatalytic process using aluminum chloride as the main catalyst was demonstrated previously from 1992 to 1995 in our laboratory to convert used rubber tire to branched and ringed hydrocarbons. Products fell in the range of C4 to C8. Little to no gaseous products or fuel oil hydrocarbons of lower value were present. This project extended the previous experiments to accumulate laboratory data, and provide fundamental understanding of the thermocatalytic decomposition reaction of the model compounds including styrene-butadiene copolymers (SBR), butyl, and natural rubber. The liquid product yields of SBR and natural rubber consistently represented 20 to 30% of the original feedstock by weight. Generally, approximately 1 to 3% of the feedstock was converted to naphtha, while the remainder was liquefied petroleum gas. The liquid yields for butyl rubber were significantly higher than for SBR and natural rubber, generally ranging from 30 to 40% of the feedstock. Experiments were conducted to separate the catalyst from the residue by evaporation. Temperatures between 400 ?°C and 500 ?°C range are required to drive off significant amounts of catalyst. Decomposition of the catalyst also occurred in the recovery process. Reports in the literature and our observations strongly suggest that the AlCl3 forms an organometallic complex with the decomposing hydrocarbons so that it becomes integrated into the residue. Catalyst mixtures also were tested. Both AlCl3/NaCl and AlCl3/KCl mixtures had very small AlCl3 partial pressures at temperatures as high as 250 ?°C, unlike pure AlCl3 and AlCl3/MgCl2 mixtures. With the AlCl3/NaCl mixtures, decomposition of the rubber was observed at temperatures as low as 150 ?°C, although the reaction rates were considerably slower at lower temperatures. The amount of naphtha produced by the reaction also increased markedly, as did the yields of aromatics and cyclic paraffin. Recommendations are made for future research to definitively determine the economic and technical feasibility of the proposed thermocatalytic depolymerization process.

Qin, Feng



Data Decomposition of Monte Carlo Particle Transport Simulations...  

NLE Websites -- All DOE Office Websites (Extended Search)

Data Decomposition of Monte Carlo Particle Transport Simulations via Tally Servers Title Data Decomposition of Monte Carlo Particle Transport Simulations via Tally Servers...


Permittivity and its decomposition into elementary components  

Science Conference Proceedings (OSTI)

to-band transitions I1, 17, 19-22] have intuitively brought us to the conclusion thai the key to solving the uniqueness problem for decomposition lies in...


Parallel Displacement Decomposition Solvers for Elasticity Problems  

Science Conference Proceedings (OSTI)

This article describes the displacement decomposition and its benefits for the parallelization of the preconditioned conjugate gradient method for finite element elasticity problems. It deals with both the fixed and variable preconditioning based on ...

Radim Blaheta; Ondrej Jakl; Jiri Stary



Static LU Decomposition on Heterogeneous Platforms  

Science Conference Proceedings (OSTI)

In this paper, the authors deal with algorithmic issues on heterogeneous platforms. They concentrate on dense linear algebra kernels, such as matrix multiplication or LU decomposition. Block-cyclic distribution techniques used in ScaLAPACK are no longer ...

Olivier Beaumont; Arnaud Legrand; Fabrice Rastello; Yves Robert



Sparse Representations for Image Decomposition with ...  

Science Conference Proceedings (OSTI)

... Tc = I Bc ^ d: (9) ... (e),(f) Image decomposition for p = 2:0 and recognition is destroyed (this is equivalent to use correlations methods, like in the L 2 ...


Analog compilation based on successive decompositions  

Science Conference Proceedings (OSTI)

This paper describes an approach to silicon compilation of analog functional blocks and the physical assembly of mixed analog and digital blocks. The initial driving applications are High Voltage ASICs. Details of behavior to layout synthesis, or decompositions, ...

E. Berkcan; M. d'Abreu; W. Laughton



Retrospective and prospective decomposition analysis of Chinese  

NLE Websites -- All DOE Office Websites (Extended Search)

and prospective decomposition analysis of Chinese and prospective decomposition analysis of Chinese manufacturing energy use and policy implications Title Retrospective and prospective decomposition analysis of Chinese manufacturing energy use and policy implications Publication Type Journal Article Year of Publication 2013 Authors Hasanbeigi, Ali, Lynn K. Price, Cecilia Fino-Chen, Hongyou Lu, and Jing Ke Journal Energy Policy Date Published 09/2013 Keywords Chinese manufacturing, Decomposition Analysis, energy intensity Abstract Aims The industrial sector dominates the China's total energy consumption, accounting for about 70% of energy use in 2010. Hence, this study aims to investigate the development path of China's industrial sector which will greatly affect future energy demand and dynamics of not only China, but the entire world.

Note: This page contains sample records for the topic "ther mal decomposition" from the National Library of EnergyBeta (NLEBeta).
While these samples are representative of the content of NLEBeta,
they are not comprehensive nor are they the most current set.
We encourage you to perform a real-time search of NLEBeta
to obtain the most current and comprehensive results.


Parallel computation for shallow water flow: a domain decomposition approach  

Science Conference Proceedings (OSTI)

Keywords: additive Schwarz preconditioning, domain decomposition, finite elements, parallelization, shallow water

L. Paglieri; D. Ambrosi; L. Formaggia; A. Quarteroni; A. L. Scheinine



Optimal Location of Vertical Wells: Decomposition Approach  

E-Print Network (OSTI)

Optimal Location of Vertical Wells: Decomposition Approach M. G. Ierapetritou and C. A. Floudas®elopment plan with well locations, gi®en a reser®oir property map and a set of infrastructure constraints, represents a ®ery challenging prob- lem. The problem of selecting the optimal ®ertical well locations


Spectrum flipping for wavelet packet decomposition  

Science Conference Proceedings (OSTI)

In this paper, it is shown that the higher compression performance of biorthogonal wavelet filters over orthogonal wavelet filters is the combined effect from (1) the asymmetry of the frequency responses of the biorthogonal wavelet filters and (2) the ... Keywords: compression performance of wavelets, frequency responses of biorthogonal wavelet filters, wavelet packet decomposition

Jianyu Lin



Proper Orthogonal Decomposition for Flow Calculations  

E-Print Network (OSTI)

Proper Orthogonal Decomposition for Flow Calculations and Optimal Control in a Horizontal CVD calculations are discussed. AMS Subject Classification: 76N10, 65K10, 49J20 & 35C10 \\Lambda This research a chemical reaction in the gas phase above the surface of the film to deposit desired materials onto


Counting decompositions of additive polynomials Mark Giesbrecht  

E-Print Network (OSTI)

of Computer Science, University of Waterloo, Waterloo, Canada (joint work with Joachim von zur Gathen, B-IT, Universit¨at Bonn, Germany) We consider the problem of counting decompositions of r-additive (or lin- earized) polynomials over a finite field Fq, for q a power of a prime power r. The r-additive polynomials

Giesbrecht, Mark


Fukushima's decomposition for diffusions associated with semi-Dirichlet forms  

E-Print Network (OSTI)

In this paper, we give Fukushima's decomposition for diffusions associated with semi-Dirichlet forms and discuss some related topics.

Ma, Li; Sun, Wei



A parallel interior point decomposition algorithm for block angular ...  

E-Print Network (OSTI)

a parallel and distributed high performance computing environment. We compare our. MPI (Message Passing Interface) implementation of the decomposition...


Domain Decomposition via Explicit/Implicit Time Marching 1 Polynomial Collocation Using a Domain Decomposition Solution to Parabolic  

E-Print Network (OSTI)

Decomposition Solution to Parabolic PDE's via the Penalty Method and Explicit/Implicit Time Marching Kelly Black 1 Abstract A domain decomposition method is examined to solve a time dependent parabolic equation05. (1) Introduction We examine a domain decomposition method for solving a parabolic equation using



SciTech Connect

At the Savannah River Site (SRS), oxalic acid is currently considered the preferred agent for chemically cleaning the large underground Liquid Radioactive Waste Tanks. It is applied only in the final stages of emptying a tank when generally less than 5,000 kg of waste solids remain, and slurrying based removal methods are no-longer effective. The use of oxalic acid is preferred because of its combined dissolution and chelating properties, as well as the fact that corrosion to the carbon steel tank walls can be controlled. Although oxalic acid is the preferred agent, there are significant potential downstream impacts. Impacts include: (1) Degraded evaporator operation; (2) Resultant oxalate precipitates taking away critically needed operating volume; and (3) Eventual creation of significant volumes of additional feed to salt processing. As an alternative to dealing with the downstream impacts, oxalate decomposition using variations of ozone based Advanced Oxidation Process (AOP) were investigated. In general AOPs use ozone or peroxide and a catalyst to create hydroxyl radicals. Hydroxyl radicals have among the highest oxidation potentials, and are commonly used to decompose organics. Although oxalate is considered among the most difficult organic to decompose, the ability of hydroxyl radicals to decompose oxalate is considered to be well demonstrated. In addition, as AOPs are considered to be 'green' their use enables any net chemical additions to the waste to be minimized. In order to test the ability to decompose the oxalate and determine the decomposition rates, a test rig was designed, where 10 vol% ozone would be educted into a spent oxalic acid decomposition loop, with the loop maintained at 70 C and recirculated at 40L/min. Each of the spent oxalic acid streams would be created from three oxalic acid strikes of an F-area simulant (i.e., Purex = high Fe/Al concentration) and H-area simulant (i.e., H area modified Purex = high Al/Fe concentration) after nearing dissolution equilibrium, and then decomposed to {le} 100 Parts per Million (ppm) oxalate. Since AOP technology largely originated on using ultraviolet (UV) light as a primary catalyst, decomposition of the spent oxalic acid, well exposed to a medium pressure mercury vapor light was considered the benchmark. However, with multi-valent metals already contained in the feed, and maintenance of the UV light a concern; testing was conducted to evaluate the impact from removing the UV light. Using current AOP terminology, the test without the UV light would likely be considered an ozone based, dark, ferrioxalate type, decomposition process. Specifically, as part of the testing, the impacts from the following were investigated: (1) Importance of the UV light on the decomposition rates when decomposing 1 wt% spent oxalic acid; (2) Impact of increasing the oxalic acid strength from 1 to 2.5 wt% on the decomposition rates; and (3) For F-area testing, the advantage of increasing the spent oxalic acid flowrate from 40 L/min (liters/minute) to 50 L/min during decomposition of the 2.5 wt% spent oxalic acid. The results showed that removal of the UV light (from 1 wt% testing) slowed the decomposition rates in both the F & H testing. Specifically, for F-Area Strike 1, the time increased from about 6 hours to 8 hours. In H-Area, the impact was not as significant, with the time required for Strike 1 to be decomposed to less than 100 ppm increasing slightly, from 5.4 to 6.4 hours. For the spent 2.5 wt% oxalic acid decomposition tests (all) without the UV light, the F-area decompositions required approx. 10 to 13 hours, while the corresponding required H-Area decompositions times ranged from 10 to 21 hours. For the 2.5 wt% F-Area sludge, the increased availability of iron likely caused the increased decomposition rates compared to the 1 wt% oxalic acid based tests. In addition, for the F-testing, increasing the recirculation flow rates from 40 liter/minute to 50 liter/minute resulted in an increased decomposition rate, suggesting a better use of ozone.

Ketusky, E.; Subramanian, K.



A HIC Primitive Spinodal Decomposition Signature  

E-Print Network (OSTI)

Evidence of a primitive spinodal decomposition has been obtained for central Ni+Ni Heavy Ion Collision, since higher order charge correlations show a peak when four fragments of size equal to 6 are produced with an excitation of 4.75 MeV. This can be considered as a signature of a primitive breakup in equal sized fragments with a privileged fragment size. This computational result confirms other experimental and theoretical evidences about spinodal decompostion in HIC.

Armando Barran; J. A. Lpez



Decomposition of Furan on Pd(111)  

SciTech Connect

Periodic density functional theory calculations (GGA-PBE) have been performed to investigate the mechanism for the decomposition of furan up to CO formation on the Pd(111) surface. At 1/9 ML coverage, furan adsorbs with its molecular plane parallel to the surface in several states with nearly identical adsorption energies of -1.0 eV. The decomposition of furan begins with the opening of the ring at the C-O position with an activation barrier of E{sub a} = 0.82 eV, which yields a C{sub 4}H{sub 4}O aldehyde species that rapidly loses the {alpha} H to form C{sub 4}H{sub 3}O (E{sub a} = 0.40 eV). C{sub 4}H{sub 3}O further dehydrogenates at the {delta} position to form C{sub 4}H{sub 2}O (E{sub a} = 0.83 eV), before the {alpha}-{beta} C-C bond dissociates (E{sub a} = 1.08 eV) to form CO. Each step is the lowest-barrier dissociation step in the respective species. A simple kinetic analysis suggests that furan decomposition begins at 240-270 K and is mostly complete by 320 K, in close agreement with previous experiments. It is suggested that the C{sub 4}H{sub 2}O intermediate delays the decarbonylation step up to 350 K.

Xu, Ye [ORNL



Decomposition of Rare Earth Loaded Resin Particles  

Science Conference Proceedings (OSTI)

The Fuel Cycle R and D (FCR and D) program within the Department of Energy Office of Nuclear Energy (DOE-NE) is evaluating nuclear fuel cycle options, including once-through, modified open, and fully closed cycles. Each of these scenarios may utilize quite different fuel management schemes and variation in fuel types may include high thermal conductivity UO{sub 2}, thoria-based, TRISO, metal, advanced ceramic (nitride, carbide, composite, etc.), and minor actinide (MA) bearing fuels and targets. Researchers from the US, Europe, and japan are investigating methods of fabricating high-specific activity spherical particles for fuel and target applications. The capital, operating, and maintenance costs of such a fuel fabrication facility can be significant, thus fuel synthesis and fabrication processes that minimize waste and process losses, and require less footprint are desired. Investigations have been performed at the Institute for Transuranium Elements (ITU) and the French Atomic Energy Commission (CEA) studying the impact of americium and curium on the fuel fabrication process. proof of concept was demonstrated for fabrication of MA-bearing spherical particles, however additional development will be needed for engineering scale-up. Researchers at the Paul Scherer Institute (PSI) and the Japan Atomic Energy Association (JAEA) have collaborated on research with ceramic-metallic (CERMET) fuels using spherical particles as the ceramic component dispersed in the metal matrix. Recent work at the CEA evaluates the burning of MA in the blanket region of sodium fast reactors. There is also interest in burning MA in Canada Deuterium Uranium (CANDU) reactors. The fabrication of uranium-MA oxide pellets for a fast reactor blanket or MA-bearing fuel for CANDU reactors may benefit from a low-loss dedicated footprint for producing MA-spherical particles. One method for producing MA-bearing spherical particles is loading the actinide metal on a cation exchange resin. The AG-50W resin is made of sulfonic acid functional groups attached to a styrene divinylbenzene copolymer lattice (long chained hydrocarbon). The metal cation binds to the sulfur group, then during thermal decomposition in air the hydrocarbons will form gaseous species leaving behind a spherical metal-oxide particle. Process development for resin applications with radioactive materials is typically performed using surrogates. For americium and curium, a trivalent metal like neodymium can be used. Thermal decomposition of Nd-loaded resin in air has been studied by Hale. Process conditions were established for resin decomposition and the formation of Nd{sub 2}O{sub 3} particles. The intermediate product compounds were described using x-ray diffraction (XRD) and wet chemistry. Leskela and Niinisto studied the decomposition of rare earth (RE) elements and found results consistent with Hale. Picart et al. demonstrated the viability of using a resin loading process for the fabrication of uranium-actinide mixed oxide microspheres for transmutation of minor actinides in a fast reactor. For effective transmutation of actinides, it will be desirable to extend the in-reactor burnup and minimize the number of recycles of used actinide materials. Longer burn times increases the chance of Fuel Clad Chemical or Mechanical Interaction (FCCI, FCMI). Sulfur is suspected of contributing to Irradiation Assisted Stress Corrosion Cracking (IASCC) thus it is necessary to maximize the removal of sulfur during decomposition of the resin. The present effort extends the previous work by quantifying the removal of sulfur during the decomposition process. Neodymium was selected as a surrogate for trivalent actinide metal cations. As described above Nd was dissolved in nitric acid solution then contacted with the AG-50W resin column. After washing the column, the Nd-resin particles are removed and dried. The Nd-resin, seen in Figure 1 prior to decomposition, is ready to be converted to Nd oxide microspheres.

Voit, Stewart L [ORNL; Rawn, Claudia J [ORNL



Solids decomposition kinetics for LASL bismuth sulfate cycle  

DOE Green Energy (OSTI)

The LASL Bismuth Sulfate Cycle includes a solid-decomposition step as an alternative to the high-temperature evaporation and decomposition of concentrated sulfuric acid, with its attendant drying and materials problems. A solids decomposition facility was constructed and used to study the handling of solid sulfates and the kinetics of their decomposition. The decomposition of Bi/sub 2/O(SO/sub 4/)/sub 2/ has been measured as a function of temperature and transit time through a laboratory-scale rotary kiln, constructed from quartz. Temperatures from 973 to 1143/sup 0/K were investigated. The transit time was controlled by varying the slope of the kiln, its rotational speed, and the rate of feed of a bismuth oxysulfate prepared in the prescribed manner. The preparation and characterization of this solid, which has reasonable feeding properties and minimal solution retention, are described. Significant amounts of decomposition were measured in short reaction times at the temperatures investigated.

Peterson, C.L.; Bowman, M.G.



An improved Benders decomposition applied to a multi-layer ...  

E-Print Network (OSTI)

GLOBECOM 2007, Washington DC, USA, December 2007. [8] A. M. Costa, A survey on benders decomposition applied to fixed-charge network design...


Decomposition of methane during oxide reduction using Natural gas  

Science Conference Proceedings (OSTI)

Decomposition of methane during oxide reduction using Natural gas DELIVERING ... Reaction mechanism and reaction rate of Sn evaporation from liquid steel.


Expected Future Value Decomposition Based Bid Price Generation ...  

E-Print Network (OSTI)

Dec 21, 2009 ... Expected Future Value Decomposition Based Bid Price Generation for ... The EFV curves are used to define bid prices on bundles of resources...


Triangular Decomposition of Semi-Algebraic Systems - CECM  

E-Print Network (OSTI)

tems via real root classification (RRC) [25] or with arbitrary systems via cylindrical algebraic decompositions (CAD) [9]. In this paper, we introduce the notion of a...


Technoeconomic Analysis of the Thermocatalytic Decomposition of Natural Gas  

DOE Green Energy (OSTI)

NREL conducted economic analysis examining two process designs for producing hydrogen from thermocatalytic decomposition based on research by Dr. Nazim Muradov of FSEC.

Lane, J.; Spath, P.



Thermal Decomposition of Furan Generates Propargyl Radicals  

DOE Green Energy (OSTI)

The thermal decomposition of furan has been studied by a 1 mm x 2 cm tubular silicon carbide reactor, C{sub 4}H{sub 4}O + {Delta} {yields} products. Unlike previous studies, these experiments are able to identify the initial furan decomposition products. Furan is entrained in either He or Ar carrier gas and is passed through a heated (1600 K) SiC tubular reactor. Furan decomposes during transit through the tubular reactor (approximately 65 {micro}s) and exits to a vacuum chamber. Within one nozzle diameter of leaving the nozzle, the gases cool to less than 50 K, and all reactions cease. The resultant molecular beam is interrogated by photoionization mass spectroscopy as well as infrared spectroscopy. Earlier G2(MP2) electronic structure calculations predicted that furan will thermally decompose to acetylene, ketene, carbon monoxide, and propyne at lower temperatures. At higher temperatures, these calculations forecast that propargyl radical could result. We observe all of these species (see Scheme 1). As the pressure in the tubular reactor is raised, the photoionization mass spectra show clear evidence for the formation of aromatic hydrocarbons.

Vasiliou, A.; Nimlos, M. R.; Daily, J. W.; Ellison, G. B.



Information Retrieval using the Singular Value Decomposition and Krylov subspaces  

E-Print Network (OSTI)

Information Retrieval using the Singular Value Decomposition and Krylov subspaces Katarina Blom­5 2 #12; Information Retrieval using the Singular Value Decomposition and Krylov subspaces Katarina@math.chalmers.se Abstract. We present two algorithms for information retrieval. The first algorithm is an extension

Patriksson, Michael

Note: This page contains sample records for the topic "ther mal decomposition" from the National Library of EnergyBeta (NLEBeta).
While these samples are representative of the content of NLEBeta,
they are not comprehensive nor are they the most current set.
We encourage you to perform a real-time search of NLEBeta
to obtain the most current and comprehensive results.


Domain decomposition strategies for nonlinear flow problems in porous media  

Science Conference Proceedings (OSTI)

Domain decomposition (DD) methods, such as the additive Schwarz method, are almost exclusively applied to linearized equations. In the context of nonlinear problems, these linear systems appear as part of a Newton iteration. However, applying DD methods ... Keywords: ASPIN, Domain decomposition, Nonlinear multiphase flow, Nonlinear preconditioning, Nonlinear solvers, Porous media

Jan Ole Skogestad; Eirik Keilegavlen; Jan M. Nordbotten



Thermal Decomposition Chemistry of Amine Borane (U)  

DOE Green Energy (OSTI)

The conclusions of this presentation are: (1) Amine boranes potentially can be used as a vehicular hydrogen storage material. (2) Purity of the hydrogen stream is critical for use with a fuel cell. Pure H{sub 2} can be provided by carefully conditioning the fuel (encapsulation, drying, heating rate, impurities). (3) Thermodynamics and kinetics can be controlled by conditioning as well. (4) Regeneration of the spent amine borane fuel is still the greatest challenge to its potential use. (5) Addition of hydrocarbon-substituted amine boranes alter the chemistry dramatically. (6) Decomposition of the substituted amine borane mixed system favors reaction products that are more potentially easier to regenerate the hydrogenated fuel. (7) t-butylamine borane is not the best substituted amine borane to use since it releases isobutane; however, formation of CNBH{sub x} products does occur.

Stowe, A. C.; Feigerle, J.; Smyrl, N. R.; Morrell, J. S.



Section 4.1 Integrated Building Design: Greening Federal Facilities...  

NLE Websites -- All DOE Office Websites (Extended Search)

1.1 Passive Solar Design in occupied spaces and thermal mass to smooth out temperature fluctuations. A Trombe wall puts the ther- mal mass (e.g., tile floors) directly behind the...


The thermal decomposition of methane in a tubular reactor  

DOE Green Energy (OSTI)

The reaction rate of methane decomposition using a tubular reactor having a 1 inch inside diameter with an 8 foot long heated zone was investigated in the temperature range of 700 to 900 C with pressures ranging from 28.2 to 56.1 atm. Representing the rate by a conventional model, {minus}dC{sub CH4}/dt= k1 C{sub CH4} {minus}k2 C{sub H2}{sup 2}, the rate constant k1 for methane decomposition was determined. The activation energy, 31.3 kcal/mol, calculated by an Arrhenius Plot was lower than for previously published results for methane decomposition. This result indicates that submicron particles found in the reactor adhere to the inside of the reactor and these submicron high surface area carbon particles tend to catalyze the methane decomposition. The rate constant has been found to be approximately constant at 900 C with pressure range cited above. The rate of methane decomposition increases with methane partial pressure in first-order. The rate of the methane decomposition is favored by higher temperatures and pressures while the thermochemical equilibrium of methane decomposition is favored by lower pressures. 8 refs., 7 figs., 2 tabs.

Kobayashi, Atsushi; Steinberg, M.



Catalytic H2O2 decomposition on palladium surfaces  

E-Print Network (OSTI)

The catalytic decomposition of H?O? at smooth single-crystal and polycrystalline palladium surfaces that had been subjected to various surface modifications has been studied. Monolayer and submonolayer coverages of I, Br and Cl adsorbates were used to pretrial the palladium surfaces. The rate of decomposition was found to be dependent upon the coverage and identity of the halogen adsorbate. Experimental measurements were based upon Auger electron spectroscopy (AES), low-energy electron Diffraction (LEED) and X-ray photoelectron spectroscopy (XPS) for the surface adlayers, redox titration for H?O? concentration determinations, and evolved-O? gas volume measurements for the decomposition rates.

Salinas, S. Adriana



Block Tensor Decomposition for Source Apportionment of Air Pollution  

E-Print Network (OSTI)

The ambient particulate chemical composition data with three particle diameter sizes (2.5mmDetroit, MI is examined. Standard multiway (tensor) methods like PARAFAC and Tucker tensor decompositions have been applied extensively to many chemical data. However, for multiple particle sizes, the source apportionment analysis calls for a novel multiway factor analysis. We apply the regularized block tensor decomposition to the collected air sample data. In particular, we use the Block Term Decomposition (BTD) in rank-(L;L;1) form to identify nine pollution sources (Fe+Zn, Sulfur with Dust, Road Dust, two types of Metal Works, Road Salt, Local Sulfate, and Homogeneous and Cloud Sulfate).

Hopke, Philip K; Li, Na; Navasca, Carmeliza



Appl. Phys. 18, 271 274 (1979) 9 bySpringer-Verlag1979  

E-Print Network (OSTI)

in thermally depoled La-doped lead zirconate titanate (PLZT) ceramics of composition 8/65/35 and 9/65/35 has on temperature-dependent optical second-harmonic generation (SHG) in ther- mally depoled samples, mainly performed at room temperature, by incomplete ther- mal depoling of the sample and by internal strain. 1

Osnabrück, Universität


Hydrogen production by the decomposition of water  

DOE Patents (OSTI)

How to produce hydrogen from water was a problem addressed by this invention. The solution employs a combined electrolytical-thermochemical sulfuric acid process. Additionally, high purity sulfuric acid can be produced in the process. Water and SO.sub.2 react in electrolyzer (12) so that hydrogen is produced at the cathode and sulfuric acid is produced at the anode. Then the sulfuric acid is reacted with a particular compound M.sub.r X.sub.s so as to form at least one water insoluble sulfate and at least one water insoluble oxide of molybdenum, tungsten, or boron. Water is removed by filtration; and the sulfate is decomposed in the presence of the oxide in sulfate decomposition zone (21), thus forming SO.sub.3 and reforming M.sub.r X.sub.s. The M.sub.r X.sub.s is recycled to sulfate formation zone (16). If desired, the SO.sub.3 can be decomposed to SO.sub.2 and O.sub.2 ; and the SO.sub.2 can be recycled to electrolyzer (12) to provide a cycle for producing hydrogen.

Hollabaugh, Charles M. (Los Alamos, NM); Bowman, Melvin G. (Los Alamos, NM)



On Parallelizing Dual Decomposition in Stochastic Integer Programming |  

NLE Websites -- All DOE Office Websites (Extended Search)

On Parallelizing Dual Decomposition in Stochastic Integer Programming On Parallelizing Dual Decomposition in Stochastic Integer Programming Title On Parallelizing Dual Decomposition in Stochastic Integer Programming Publication Type Journal Article Year of Publication 2013 Authors Lubin, M, Martin, K, Petra, CG, Sandikci, B Journal Operations Research Letters Volume 41 Start Page 252-258 Issue 3 Date Published 05/2013 Other Numbers ANL/MCS-P3037-0912 Abstract For stochastic mixed-integer programs, we revisit the dual decomposition algorithm of Care and Schultz from a computational perspective with the aim of its parallelization. We address an important bottleneck of parallel execution by identifying a formulation that permits the parallel solution of the master program by using structure-exploiting interior-point solvers. Our results demonstrate the potential for parallel speedup and the importance of regularization (stabilization) in the dual optimization. Load imbalance is identified as a remaining barrier to parallel scalability.


Singular Value Decomposition Analysis and Canonical Correlation Analysis  

Science Conference Proceedings (OSTI)

The goal of singular value decomposition analysis (SVD) and canonical correlation analysis (CCA) is to isolate important coupled modes between two geophysical fields of interest. In this paper the relationship between SVD and CCA is clarified. ...

Steve Cherry



Normal-Mode Decomposition of Small-Scale Oceanic Motions  

Science Conference Proceedings (OSTI)

Small-scale oceanic motions consist of vortical motion and internal waves. In a linear or weakly nonlinear system these two types of motions can be unambiguously separated using normal-mode decomposition in which the vortical mode carries the ...

Ren-Chieh Lien; Peter Mller



Decomposition methods for large scale stochastic and robust optimization problems  

E-Print Network (OSTI)

We propose new decomposition methods for use on broad families of stochastic and robust optimization problems in order to yield tractable approaches for large-scale real world application. We introduce a new type of a ...

Becker, Adrian Bernard Druke



A Hypergraph Framework for Optimal Model-Based Decomposition ofDesign Problems  

Science Conference Proceedings (OSTI)

Decomposition of large engineering system models is desirable since increased model size reduces reliability and speed of numerical solution algorithms. The article presents a methodology for optimal model-based decomposition (OMBD) of design problems, ... Keywords: decomposition, hypergraph partitioning, large-scale design, model decomposition, multidisciplinary design

Nestor F. Michelena; Panos Y. Papalambros



Linearly independent pure-state decomposition and quantum state discrimination  

E-Print Network (OSTI)

We put the pure-state decomposition mathematical property of a mixed state to a physical test. We begin by characterizing all the possible decompositions of a rank-two mixed state by means of the complex overlap between two involved states. The physical test proposes a scheme of quantum state recognition of one of the two linearly independent states which arise from the decomposition. We find that the two states associated with the balanced pure-state decomposition have the smaller overlap modulus and therefore the smallest probability of being discriminated conclusively, while in the nonconclusive scheme they have the highest probability of having an error. In addition, we design an experimental scheme which allows to discriminate conclusively and optimally two nonorthogonal states prepared with different a priori probabilities. Thus, we propose a physical implementation for this linearly independent pure-state decomposition and state discrimination test by using twin photons generated in the process of spontaneous parametric down conversion. The information-state is encoded in one photon polarization state whereas the second single-photon is used for heralded detection.

Luis Roa; Alejandra Maldonad-Trapp; Marcelo Alid



Thermal decomposition study of hydroxylamine nitrate during storage and handling  

E-Print Network (OSTI)

Hydroxylamine nitrate (HAN), an important agent for the nuclear industry and the U.S. Army, has been involved in several costly incidents. To prevent similar incidents, the study of HAN safe storage and handling boundary has become extremely important for industries. However, HAN decomposition involves complicated reaction pathways due to its autocatalytic behavior and therefore presents a challenge for definition of safe boundaries of HAN storage and handling. This research focused on HAN decomposition behavior under various conditions and proposed isothermal aging testing and kinetic-based simulation to determine safety boundaries for HAN storage and handling. Specifically, HAN decomposition in the presence of glass, titanium, stainless steel with titanium, or stainless steel was examined in an Automatic Pressure Tracking Adiabatic Calorimeter (APTAC). n-th order kinetics was used for initial reaction rate estimation. Because stainless steel is a commonly used material for HAN containers, isothermal aging tests were conducted in a stainless steel cell to determine the maximum safe storage time of HAN. Moreover, by changing thermal inertia, data for HAN decomposition in the stainless steel cell were examined and the experimental results were simulated by the Thermal Safety Software package. This work offers useful guidance for industries that manufacture, handle, and store HAN. The experimental data acquired not only can help with aspects of process safety design, including emergency relief systems, process control, and process equipment selection, but also is a useful reference for the associated theoretical study of autocatalytic decomposition behavior.

Zhang, Chuanji



Decomposition of Ammonia in IGCC Fuel Gas Streams  

SciTech Connect

The main objective of the research work is to develop technically feasible and potentially low cost processes to decompose NH{sub 3} present in coal gases at high temperatures upstream of the gas turbine. Specific objectives of the work include development of NH3 decomposition processes applicable to both air-blown and oxygen-blown coal gasification-based combined cycle power plants, Ammonia decomposition tests were carried out in a bench-scale tubular flow reactor. The flow system includes feed gas supply with flow control and pressure regulation, preheater and reactor, heaters, monitoring and control of system temperature and pressure, and feed and product analysis instrumentation. Non-catalytic NH{sub 3} decomposition tests were carried out in both Alloy RA-330 and quartz reactors. Catalytic tests were conducted only in the quartz reactor.

Qader, S.A.; Qader, Q.A. [Energy and Environmental Technology Corp., Rancho Cucamonga, CA (United States); Muzio, L.J. [Fossil Energy Research Corp., Laguna Hills, CA (United States)



Using dual decomposition for solving problems involving data uncertainty |  

NLE Websites -- All DOE Office Websites (Extended Search)

dual decomposition for solving problems involving data uncertainty dual decomposition for solving problems involving data uncertainty August 14, 2013 Tweet EmailPrint Many applications mdash; energy, routing, scheduling, and production planning, for example mdash; involve problems in which some or all of the data may not be known when decisions under uncertainty must be made. In such cases, approximations with stochastic mixed-integer programming models are often used. Two approaches have been suggested to address such problems: dual decomposition (DD) and branch-and-price (BP). Both approaches divide the problem into two or more subproblems, together with linear constraints that enforce agreement between solutions to the different problems through a series of iterations. Unfortunately, both approaches also suffer from lack


Analysis and Decomposition of the Energy Intensity of Industries in  

NLE Websites -- All DOE Office Websites (Extended Search)

and Decomposition of the Energy Intensity of Industries in and Decomposition of the Energy Intensity of Industries in California Title Analysis and Decomposition of the Energy Intensity of Industries in California Publication Type Journal Article Year of Publication 2012 Authors de la du Can, Stephane Rue, Ali Hasanbeigi, and Jayant A. Sathaye Journal Energy Policy Volume 46 Pagination 234-245 Keywords california, co2 emissions, energy intensity, energy use Abstract In 2008, the gross domestic product (GDP) of California industry was larger than GDP of industry in any other U.S. states. This study analyses the energy use of and output from seventeen industry subsectors in California and performs decomposition analysis to assess the influence of different factors on California industry energy use. The logarithmic mean Divisia index method is used for the decomposition analysis. The decomposition analysis results show that the observed reduction of energy use in California industry since 2000 is the result of two main factors: the intensity effect and the structural effect. The intensity effect has started pushing final energy use downward in 2000 and has since amplified. The second large effect is the structural effect. The significant decrease of the energy-intensive "Oil and Gas Extraction" subsector's share of total industry value added, from 15% in 1997 to 5% in 2008, and the increase of the non-energy intensive "Electric and electronic equipment manufacturing" sector's share of value added, from 7% in 1997 to 30% in 2008, both contributed to a decrease in the energy intensity in the industry sector


Functional visualisation of genes using singular value decomposition  

Science Conference Proceedings (OSTI)

Progress in understanding core pathways and processes of cancer requires thorough analysis of many coding regions of the genome. New insights are hampered due to the lack of tools to make sense of large lists of genes identified using high throughput ... Keywords: gene ontology, genes, singular value decomposition, visualisation

Hamid Ghous, Paul J. Kennedy, Nicholas Ho, Daniel R. Catchpoole



An optimization approach for fitting canonical tensor decompositions.  

Science Conference Proceedings (OSTI)

Tensor decompositions are higher-order analogues of matrix decompositions and have proven to be powerful tools for data analysis. In particular, we are interested in the canonical tensor decomposition, otherwise known as the CANDECOMP/PARAFAC decomposition (CPD), which expresses a tensor as the sum of component rank-one tensors and is used in a multitude of applications such as chemometrics, signal processing, neuroscience, and web analysis. The task of computing the CPD, however, can be difficult. The typical approach is based on alternating least squares (ALS) optimization, which can be remarkably fast but is not very accurate. Previously, nonlinear least squares (NLS) methods have also been recommended; existing NLS methods are accurate but slow. In this paper, we propose the use of gradient-based optimization methods. We discuss the mathematical calculation of the derivatives and further show that they can be computed efficiently, at the same cost as one iteration of ALS. Computational experiments demonstrate that the gradient-based optimization methods are much more accurate than ALS and orders of magnitude faster than NLS.

Dunlavy, Daniel M. (Sandia National Laboratories, Albuquerque, NM); Acar, Evrim; Kolda, Tamara Gibson


Note: This page contains sample records for the topic "ther mal decomposition" from the National Library of EnergyBeta (NLEBeta).
While these samples are representative of the content of NLEBeta,
they are not comprehensive nor are they the most current set.
We encourage you to perform a real-time search of NLEBeta
to obtain the most current and comprehensive results.


Quantitative and qualitative measures of decomposition: Is there a link?  

Science Conference Proceedings (OSTI)

Decomposition rates of loblolly pine coarse woody debris (CWD) were determined by mass loss and wood density changes for trees that differed in source of mortality (natural, girdle-poison, and felling). Specifically, three treatments were examined: (1) control (CON): natural mortality; (2) CD: 5-fold increase in CWD compared with the CON; and (3) CS: 12-fold increase in snags compared with the CON. The additional CWD in the CD treatment plots and the additional snags in the CS plots were achieved by felling (for the CD plots) or girdling followed by herbicide injection (for the CS plots) select trees in these plots. Consequently,mortality on the CD plots is due to natural causes and felling. Likewise, mortality on the CS plots is due to natural causes and girdle-poison. In each treatment plot, mortality due to natural causes was inventoried since 1997, whereas mortality due to girdle-poison and felling were inventoried since 2001. No significant difference was detected between the rates of decomposition for the CWD on these treatment plots, indicating that source of the tree mortality did not influence rates of decomposition once the tree fell. These experimental measures of decomposition were compared with two decay classification systems (three- and five-unit classifications) to determine linkages. Changes in wood density did not correlate to any decay classification, whereas mass loss had a weak correlation with decay class. However, the large degree of variation limits the utility of decay classification systems in estimating mass loss.

Eaton, Robert, J.; Sanchez, Felipe, G.



Solving large TMS problems efficiently by selective exploration and decomposition  

Science Conference Proceedings (OSTI)

TMS is a hierarchical modeling language capable of representing complex task networks with intra-task uncertainties and inter-task dependencies. The uncertainty and complexity of the application domains represented in TMS models often lead ... Keywords: MDP, TMS model, decomposition, informed unrolling, mission phasing, selective exploration

Jianhui Wu; Edmund H. Durfee



INDDGO: Integrated Network Decomposition & Dynamic programming for Graph Optimization  

SciTech Connect

It is well-known that dynamic programming algorithms can utilize tree decompositions to provide a way to solve some \\emph{NP}-hard problems on graphs where the complexity is polynomial in the number of nodes and edges in the graph, but exponential in the width of the underlying tree decomposition. However, there has been relatively little computational work done to determine the practical utility of such dynamic programming algorithms. We have developed software to construct tree decompositions using various heuristics and have created a fast, memory-efficient dynamic programming implementation for solving maximum weighted independent set. We describe our software and the algorithms we have implemented, focusing on memory saving techniques for the dynamic programming. We compare the running time and memory usage of our implementation with other techniques for solving maximum weighted independent set, including a commercial integer programming solver and a semi-definite programming solver. Our results indicate that it is possible to solve some instances where the underlying decomposition has width much larger than suggested by the literature. For certain types of problems, our dynamic programming code runs several times faster than these other methods.

Groer, Christopher S [ORNL; Sullivan, Blair D [ORNL; Weerapurage, Dinesh P [ORNL



Separable State Decompositions for a Class of Mixed States  

E-Print Network (OSTI)

We study certain quantum states for which the PPT criterion is both sufficient and necessary for separability. A class of $n\\times n$ bipartite mixed states is presented and the conditions of PPT for these states are derived. The separable pure state decompositions of these states are explicitly constructed when they are PPT.

Ting-Gui Zhang; Xiaofen Huang; Xianqing Li-Jost; Naihuan Jing; Shao-Ming Fei



Key-Based Problem Decomposition for Relational Constraint Satisfaction Problems  

Science Conference Proceedings (OSTI)

Constraint satisfaction problems (CSP) are often posed over data residing in relational database systems, which serve as passive data-storage back ends. Several studies have demonstrated a number of important advantages to having database systems capable ... Keywords: constraint processing, databases, decomposition

James J. Lu; Sebastien Siva



Retinal vessel segmentation using multiwavelet kernels and multiscale hierarchical decomposition  

Science Conference Proceedings (OSTI)

We propose a comprehensive method for segmenting the retinal vasculature in fundus camera images. Our method does not require preprocessing and training and can therefore be used directly on different images sets. We enhance the vessels using matched ... Keywords: Matched filter, Multiscale hierarchical decomposition, Multiwavelet, Retinal images, Segmentation, Vessel detection

Yangfan Wang; Guangrong Ji; Ping Lin; Emanuele Trucco



Optimal Location of Vertical Wells: A Decomposition Approach  

E-Print Network (OSTI)

Optimal Location of Vertical Wells: A Decomposition Approach M.G. Ierapetritou and C.A. Floudas 1 correspondence should be addressed 1 #12; Abstract The generation of a reservoir development plan with well the optimal vertical well locations is formulated as a MILP problem where the binary variables correspond


Multi Agent Collaborative Search based on Tchebycheff decomposition  

Science Conference Proceedings (OSTI)

This paper presents a novel formulation of Multi Agent Collaborative Search, for multi-objective optimization, based on Tchebycheff decomposition. A population of agents combines heuristics that aim at exploring the search space both globally (social ... Keywords: Agent-based optimization, Memetic strategies, Multi-objective optimization

Federico Zuiani, Massimiliano Vasile



Roaming radical pathways for the decomposition of alkanes.  

Science Conference Proceedings (OSTI)

CASPT2 calculations predict the existence of roaming radical pathways for the decomposition of propane, n-butane, isobutane and neopentane. The roaming radical paths lead to the formation of an alkane and an alkene instead of the expected radical products. The predicted barriers for the roaming radical paths lie {approx}1 kcal/mol below the corresponding radical asymptotes.

Harding, L. B.; Klippenstein, S. J. (Chemical Sciences and Engineering Division)



Method for improved decomposition of metal nitrate solutions  

DOE Patents (OSTI)

A method for co-conversion of aqueous solutions of one or more heavy metal nitrates wherein thermal decomposition within a temperature range of about 300.degree. to 800.degree. C. is carried out in the presence of about 50 to 500% molar concentration of ammonium nitrate to total metal.

Haas, Paul A. (Knoxville, TN); Stines, William B. (Knoxville, TN)



Cell decomposition of almost smooth real algebraic surfaces  

Science Conference Proceedings (OSTI)

Let Z be a two dimensional irreducible complex component of the solution set of a system of polynomial equations with real coefficients in N complex variables. This work presents a new numerical algorithm, based on homotopy continuation ... Keywords: Algebraic curve, Algebraic surface, Cell decomposition, Homotopy, Numerical algebraic geometry, Polynomial system

Gian Mario Besana; Sandra Rocco; Jonathan D. Hauenstein; Andrew J. Sommese; Charles W. Wampler



Technical Section: Point-in-polygon tests by convex decomposition  

Science Conference Proceedings (OSTI)

The paper presents a new algorithm for point-in-polygon queries. By decomposing a polygon into a set of convex polygons and then constructing a BSP tree, the algorithm performs an inclusion query against the polygon in two steps. In the first step, it ... Keywords: BSP trees, Computational geometry, Convex decomposition, Point containment, Polygon

Jing Li; Wencheng Wang; Enhua Wu



Method for improved decomposition of metal nitrate solutions  

DOE Patents (OSTI)

A method for co-conversion of aqueous solutions of one or more heavy metal nitrates is described, wherein thermal decomposition within a temperature range of about 300 to 800/sup 0/C is carried out in the presence of about 50 to 500% molar concentration of ammonium nitrate to total metal.

Haas, P.A.; Stines, W.B.



Low-order tensor decompositions for social tagging recommendation  

Science Conference Proceedings (OSTI)

Social tagging recommendation is an urgent and useful enabling technology for Web 2.0. In this paper, we present a systematic study of low-order tensor decomposition approach that are specifically targeted at the very sparse data problem in tagging recommendation ... Keywords: graph mining, recommendation system, social network

Yuanzhe Cai; Miao Zhang; Dijun Luo; Chris Ding; Sharma Chakravarthy



Balanced Decomposition for Power System Simulation on Parallel Computers  

E-Print Network (OSTI)

Balanced Decomposition for Power System Simulation on Parallel Computers Felipe Morales, Hugh parallelization strategy is tested in a Parsytec computer incorpo- rating two PowerXplorer systems, each one System. 1 Introduction Power system analysis is intensive in computational terms 1 . In fact, the power

Rudnick, Hugh


Brief A decomposition approach for the solution of the unit loading problem in hydroplants  

Science Conference Proceedings (OSTI)

This paper presents a decomposition approach for the solution of the dynamic programming formulation of the unit loading problem in hydroplant management. This decomposition approach allows the consideration of network and canal constraints without additional ... Keywords: Decomposition, Dynamic programming, Hydroelectricity, Unit loading problem

MichLe Breton; Saeb Hachem; Abdelghani Hammadia



TherML: occupancy prediction for thermostat control  

Science Conference Proceedings (OSTI)

Reducing the large energy consumption of temperature regulation systems is a challenge for researchers and practitioners alike. In this paper, we explore and compare two common types of solutions: A manual systems that encourages reduced energy use, ... Keywords: energy, heating, location, machine learning, prediction

Christian Koehler, Brian D. Ziebart, Jennifer Mankoff, Anind K. Dey



Density Functional Studies of Methanol Decomposition on Subnanometer Pd Clusters  

DOE Green Energy (OSTI)

A density functional theory study of the decomposition of methanol on subnanometer palladium clusters (primarily Pd4) is presented. Methanol dehydrogenation through C-H bond breaking to form hydroxymethyl (CH2OH) as the initial step, followed by steps involving formation of hydroxymethylene (CHOH), formyl (CHO), and carbon monoxide (CO), is found to be the most favorable reaction pathway. A competing dehydrogenation pathway with O-H bond breaking as the first step, followed by formation of methoxy (CH3O) and formaldehyde (CH2O), is slightly less favorable. In contrast, pathways involving C-O bond cleavage are much less energetically favorable, and no feasible pathways involving C-O bond formation to yield dimethyl ether (CH3OCH3) are found. Comparisons of the results are made with methanol decomposition products adsorbed on more extended Pd surfaces; all reaction intermediates are found to bind slightly more strongly to the clusters than to the surfaces.

Mehmood, Faisal; Greeley, Jeffrey P.; Curtiss, Larry A.



Equivalent Effect Function and Fast Intrinsic Mode Decomposition  

E-Print Network (OSTI)

The Equivalent Effect Function (EEF) is defined as having the identical integral values on the control points of the original time series data; the EEF can be obtained from the derivative of the spline function passing through the integral values on the control points. By choosing control points with different criteria, the EEF can be used to find the intrinsic mode function(IMF, fluctuation) and the residue (trend); to fit the curve of the original data function; and to take samples on original data with equivalent effect. As examples of application, results of trend and fluctuation on real stock historical data are calculated on different time scales. A new approach to extend the EEF to 2D intrinsic mode decomposition is introduced to resolve the inter slice non continuity problem, some photo image decomposition examples are presented.

Lu, Louis Yu



Thermal decomposition of silane to form hydrogenated amorphous Si film  

DOE Patents (OSTI)

This invention relates to hydrogenated amorphous silicon produced by thermally decomposing silano (SiH.sub.4) or other gases comprising H and Si, at elevated temperatures of about 1700.degree.-2300.degree. C., and preferably in a vacuum of about 10.sup.-8 to 10.sup.-4 torr, to form a gaseous mixture of atomic hydrogen and atomic silicon, and depositing said gaseous mixture onto a substrate outside said source of thermal decomposition to form hydrogenated amorphous silicon.

Strongin, Myron (Center Moriches, NY); Ghosh, Arup K. (Rocky Point, NY); Wiesmann, Harold J. (Wantagh, NY); Rock, Edward B. (Oxford, GB); Lutz, III, Harry A. (Midlothian, VA)


Note: This page contains sample records for the topic "ther mal decomposition" from the National Library of EnergyBeta (NLEBeta).
While these samples are representative of the content of NLEBeta,
they are not comprehensive nor are they the most current set.
We encourage you to perform a real-time search of NLEBeta
to obtain the most current and comprehensive results.


Elevated CO2 and plant species diversity interact to slow root decomposition  

Science Conference Proceedings (OSTI)

Changes in plant species diversity can result in synergistic increases in decomposition rates, while elevated atmospheric CO2 can slow the decomposition rates; yet it remains unclear how diversity and changes in atmospheric CO2 may interact to alter root decomposition. To investigate how elevated CO2 interacts with changes in root-litter diversity to alter decomposition rates, we conducted a 120-day laboratory incubation. Roots from three species (Trifolium repens, Lespedeza cuneata, and Festuca pratense) grown under ambient or elevated CO2 were incubated individually or in combination in soils that were exposed to ambient or elevated CO2 for five years. Our experiment resulted in two main findings: (1) Roots from T. repens and L. cuneata, both nitrogen (N) fixers, grown under elevated CO2 treatments had significantly slower decomposition rates than similar roots grown under ambient CO2 treatments; but the decomposition rate of F. pratense roots (a non-N-fixing species) was similar regardless of CO2 treatment. (2) Roots of the three species grown under ambient CO2 and decomposed in combination with each other had faster decomposition rates than when they were decomposed as single species. However, roots of the three species grown under elevated CO2 had similar decomposition rates when they were incubated alone or in combination with other species. These data suggest that if elevated CO2 reduces the root decomposition rate of even a few species in the community, it may slow root decomposition of the entire plant community.

De Graaff, Marie-Anne [ORNL; Schadt, Christopher Warren [ORNL; Rula, Kelly L [ORNL; Six, Johan W U A [University of California, Davis; Schweitzer, Jennifer A [ORNL; Classen, Aimee T [University of Tennessee, Knoxville (UTK)



Oxidative decomposition of formaldehyde catalyzed by a bituminous coal  

Science Conference Proceedings (OSTI)

It has been observed that molecular hydrogen is formed during long-term storage of bituminous coals via oxidative decomposition of formaldehyde by coal surface peroxides. This study has investigated the effects of coal quantity, temperature, and water content on the molecular hydrogen formation with a typical American coal (Pittsburgh No. 6). The results indicate that the coal's surface serves as a catalyst in the formation processes of molecular hydrogen. Furthermore, the results also indicate that low temperature emission of molecular hydrogen may possibly be the cause of unexplained explosions in confined spaces containing bituminous coals, for example, underground mines or ship holds. 20 refs., 4 figs., 6 tabs.

Haim Cohen; Uri Green [Ariel University Center in Samaria, Beer Sheva (Israel). Biological Chemistry Department



Programming Enhancements for Low Temperature Thermal Decomposition Workstation  

SciTech Connect

This report describes a new control-and-measurement system design for the Oak Ridge Y-12 Plant's Low Temperature Thermal Decomposition (LTTD) process. The new design addresses problems with system reliability stemming from equipment obsolescence and addresses specific functional improvements that plant production personnel have identified, as required. The new design will also support new measurement techniques, which the Y-12 Development Division has identified for future operations. The new techniques will function in concert with the original technique so that process data consistency is maintained.

Igou, R.E.



The Autocatalytic Behavior of Trimethylindium During Thermal Decomposition  

DOE Green Energy (OSTI)

Pyrolysis of trimethylindium (TMIn) in a hot-wall flow-tube reactor has been investigated at temperatures between 573 and 723 K using a modulated molecular-beam mass-sampling technique and detailed numerical modeling. The TMIn was exposed to various mixtures of carrier gases: He, H{sub 2}, D{sub 2}, and C{sub 2}H{sub 4}, in an effort to elucidate the behavior exhibited by this compound in different chemical environments. The decomposition of TMIn is a heterogeneous, autocatalytic process with an induction period that is carrier-gas dependent and lasts on the order of minutes. After activation of the tube wall, the thermolysis exhibits a steady-state behavior that is surface mediated. This result is contrary to prior literature reports, which state that decomposition occurs in the gas phase via successive loss of the CH{sub 3} ligands. This finding also suggests that the bond dissociation energy for the (CH{sub 3}){sub 2}In-CH{sub 3} bond derived from flow-tube investigations is erroneous and should be reevaluated.

Anthony H. McDaniel; M. D. Allendorf



A self-calibration scheme for extended frequency-band-decomposition sigma-delta ADC  

Science Conference Proceedings (OSTI)

Frequency-band-decomposition (FBD) is a good candidate to be used to increase the bandwidths of ADC converters based on sigma-delta modulators for software and cognitive radio applications where we need to convert wide bandwidths. Each modulator processes ... Keywords: Analog-to-digital conversion, Bandpass, Filter bank, Frequency-band-decomposition, Self-calibration, Sigma-delta

Philippe Benabes; Ali Beydoun



Quad tree decomposition of fused image of sunspots for classifying the trajectories  

Science Conference Proceedings (OSTI)

A combination of image fusion and quad tree decomposition method is used for detecting the sunspot trajectories in each month and computation of the latitudes of these trajectories in each solar hemisphere. Daily solar images taken with SOHO satellite ... Keywords: image fusion, quad tree decomposition, sunspot

Farhad Besharati; Mana Tarjoman; Hassan Ghassemian



Gaussian mixture decomposition in the analysis of MALDI-TOF spectra  

Science Conference Proceedings (OSTI)

The article presents a method of protein matrix-assisted laser desorption and ionization-time of flight (TOF) spectra analysis. The method performs peaks detection. Spectra are analysed with Gaussian mixture decomposition. The results obtained are used ... Keywords: EM algorithm, GMM decomposition, Maldi-Tof

Joanna Polanska; Malgorzata Plechawska; Monika Pietrowska; Lukasz Marczak



Decomposition and decentralized control of systems with multi-overlapping structure  

Science Conference Proceedings (OSTI)

This paper considers decomposition and decentralized control of systems with multi-overlapping structure. It is demonstrated, using the inclusion principle, how the systems with longitudinal, loop and radial topologies can be expanded, and how the results ... Keywords: Decentralized control, Electric power systems, Inclusion principle, Multi-overlapping decomposition

Xue-Bo Chen; Srdjan S. Stankovi?



On the empirical mode decomposition applied to the analysis of brain SPECT images  

Science Conference Proceedings (OSTI)

In this paper we propose a novel method for brain SPECT image feature extraction based on the empirical mode decomposition (EMD). The proposed method applied to assist the diagnosis of Alzheimer Disease (AD) selects the most discriminant voxels for support ... Keywords: Alzheimer's disease, Empirical mode decomposition, SPECT, Support vector machines

A. Gallix; J. M. GRriz; J. RamRez; I. A. IllN; E. W. Lang



Data decomposition of Monte Carlo particle transport simulations via tally servers  

Science Conference Proceedings (OSTI)

An algorithm for decomposing large tally data in Monte Carlo particle transport simulations is developed, analyzed, and implemented in a continuous-energy Monte Carlo code, OpenMC. The algorithm is based on a non-overlapping decomposition of compute ... Keywords: Data decomposition, Exascale, Monte Carlo, Neutron transport, Tally server

Paul K. Romano, Andrew R. Siegel, Benoit Forget, Kord Smith



Recursive Learning of Genetic Algorithms with Task Decomposition and Varied Rule Set  

Science Conference Proceedings (OSTI)

Rule-based Genetic Algorithms (GAs) have been used in the application of pattern classification (Corcoran & Sen, 1994), but conventional GAs have weaknesses. First, the time spent on learning is long. Moreover, the classification accuracy achieved ... Keywords: Domain Decomposition, Ensemble Learning, Genetic Algorithms, Global Fitness, Local Fitness, Output Partitioning, Recursive Learning, Task Decomposition, Weak Learner

Lei Fang; Sheng-Uei Guan; Haofan Zhang



On the Reaction Mechanism of Acetaldehyde Decomposition on Mo(110)  

Science Conference Proceedings (OSTI)

The strong Mo-O bond strength provides promising reactivity of Mo-based catalysts for the deoxygenation of biomass-derived oxygenates. Combining the novel dimer saddle point searching method with periodic spin-polarized density functional theory calculations, we investigated the reaction pathways of a acetaldehyde decomposition on the clean Mo(110) surface. Two reaction pathways were identified, a selective deoxygenation and a nonselective fragmentation pathways. We found that acetaldehyde preferentially adsorbs at the pseudo 3-fold hollow site in the ?2(C,O) configuration on Mo(110). Among four possible bond (?-C-H, ?-C-H, C-O and C-C) cleavages, the initial decomposition of the adsorbed acetaldehyde produces either ethylidene via the C-O bond scission or acetyl via the ?-C-H bond scission while the C-C and the ?-C-H bond cleavages of acetaldehyde leading to the formation of methyl (and formyl) and formylmethyl are unlikely. Further dehydrogenations of ethylidene into either ethylidyne or vinyl are competing and very facile with low activation barriers of 0.24 and 0.31 eV, respectively. Concurrently, the formed acetyl would deoxygenate into ethylidyne via the C-O cleavage rather than breaking the C-C or the C-H bonds. The selective deoxygenation of acetaldehyde forming ethylene is inhibited by relatively weaker hydrogenation capability of the Mo(110) surface. Instead, the nonselective pathway via vinyl and vinylidene dehydrogenations to ethynyl as the final hydrocarbon fragment is kinetically favorable. On the other hand, the strong interaction between ethylene and the Mo(110) surface also leads to ethylene decomposition instead of desorption into the gas phase. This work was financially supported by the National Advanced Biofuels Consortium (NABC). Computing time was granted by a user project (emsl42292) at the Molecular Science Computing Facility in the William R. Wiley Environmental Molecular Sciences Laboratory (EMSL). This work was financially supported by the National Advanced Biofuels Consortium (NABC). Computing time was granted by a user project (emsl42292) at the Molecular Science Computing Facility in the William R. Wiley Environmental Molecular Sciences Laboratory (EMSL). The EMSL is a U.S. Department of Energy (DOE) national scientific user facility located at Pacific Northwest National Laboratory (PNNL) and supported by the DOE Office of Biological and Environmental Research. Pacific Northwest National Laboratory is operated by Battelle for the U.S. Department of Energy.

Mei, Donghai; Karim, Ayman M.; Wang, Yong



Ketone Production from the Thermal Decomposition of Carboxylate Salts  

E-Print Network (OSTI)

The MixAlco process uses an anaerobic, mixed-culture fermentation to convert lignocellulosic biomass to carboxylate salts. The fermentation broth must be clarified so that only carboxylate salts, water, and minimal impurities remain. Carboxylate salts are concentrated by evaporation and thermally decomposed into ketones. The ketones can then be chemically converted to a wide variety of chemicals and fuels. The presence of excess lime in the thermal decomposition step reduced product yield. Mixtures of calcium carboxylate salts were thermally decomposed at 450 degrees C. Low lime-to-salt ratios (g Ca(OH)2/g salt) of 0.00134 and less had a negligible effect on ketone yield. In contrast, salts with higher lime-to-salt ratios of 0.00461, 0.0190, and 0.272 showed 3.5, 4.6, and 9.4% loss in ketone yield, respectively. These losses were caused primarily by increases in tars and heavy oils; however, a three-fold increase in hydrocarbon production occurred as well. To predict ketone product distribution, a random-pairing and a Gibbs free energy minimization model were applied to thermal decompositions of mixed calcium and sodium carboxylate salts. Random pairing appears to better predict ketone product composition. For sodium and calcium acetate, two types of mixed sodium carboxylate salts, and two types of mixed calcium carboxylate salts, activation energy (EA) was determined using three isoconversional methods. For each salt type, EA varied significantly with conversion. The average EA for sodium and calcium acetate was 226.65 and 556.75 kJ/mol, respectively. The average EA for the two mixed sodium carboxylate salts were 195.61, and 218.18 kJ/mol. The average EA for the two mixed calcium carboxylate salts were 232.78, and 176.55 kJ/mol. In addition, three functions of conversion were employed to see which one best modeled the experimental data. The Sestak-Berggren model was the best overall. Possible reactor designs and configurations that address the challenges associated with the continuous thermal decomposition of carboxylate salts are also presented and discussed. Methods of fermentation broth clarification were tested. Flocculation showed little improvement in broth purity. Coagulation yielded broth of 93.23% purity. Filtration using pore sizes from 1 micrometer to 240 Daltons increased broth purity (90.79 to 98.33%) with decreasing pore size.

Landoll, Michael 1984-



Parallel Algorithms for Graph Optimization using Tree Decompositions  

SciTech Connect

Although many $\\cal{NP}$-hard graph optimization problems can be solved in polynomial time on graphs of bounded tree-width, the adoption of these techniques into mainstream scientific computation has been limited due to the high memory requirements of the necessary dynamic programming tables and excessive runtimes of sequential implementations. This work addresses both challenges by proposing a set of new parallel algorithms for all steps of a tree decomposition-based approach to solve the maximum weighted independent set problem. A hybrid OpenMP/MPI implementation includes a highly scalable parallel dynamic programming algorithm leveraging the MADNESS task-based runtime, and computational results demonstrate scaling. This work enables a significant expansion of the scale of graphs on which exact solutions to maximum weighted independent set can be obtained, and forms a framework for solving additional graph optimization problems with similar techniques.

Sullivan, Blair D [ORNL; Weerapurage, Dinesh P [ORNL; Groer, Christopher S [ORNL



Kinetics and mechanism of the thermal decomposition of dimethylzinc  

SciTech Connect

This paper studies the thermodecomposition of dimethylzinc in a vacuum in the temperature range 554.9-611.0 K and the concentration range 0.0027-0.0188 mole/liter. The investigations were conducted by the static method with a membrane wall manometer, an essential advantage of which is the possibility of the determination of the pressure in the reaction chamber with the complete absence of contact of the dimethylzinc with air and mercury. The results of the chromatographic study of the composition of the gas phase are presented. In the range of initial concentrations the content of the main decomposition products (methane, ethane, propane) scarcely changes, whereas at a concentration of 0.0027 mole/liter the yield of propane decreases somewhat.

Sokolovskii, A.E.; Baev, A.K.



Thermochemical processes for hydrogen production by water decomposition. Final report  

DOE Green Energy (OSTI)

The principal contributions of the research are in the area of gas-solid reactions, ranging from models and data interpretation for fundamental kinetics and mixing of solids to simulations of engineering scale reactors. Models were derived for simulating the heat and mass transfer processes inside the reactor and tested by experiments. The effects of surface renewal of solids on the mass transfer phenomena were studied and related to the solid mixing. Catalysis by selected additives were studied experimentally. The separate results were combined in a simulation study of industrial-scale rotary reactor performance. A study was made of the controlled decompositions of a series of inorganic sulfates and their common hydrates, carried out in a Thermogravimetric Analyzer (TGA), a Differential Scanning Calorimeter (DSC), and a Differential Thermal Analyzer (DTA). Various sample sizes, heating rates, and ambient atmospheres were used to demonstrate their influence on the results. The purposes of this study were to: (i) reveal intermediate compounds, (ii) determine the stable temperature range of each compound, and (iii) measure reaction kinetics. In addition, several solid additives: carbon, metal oxides, and sodium chloride, were demonstrated to have catalytic effects to varying degrees for the different salts.

Perlmutter, D.D.



Kinetics of the Thermal Decomposition of Solid PETN  

SciTech Connect

The thermal decomposition of PETN below its melting point has been investigated. Separate monitoring of six product gases allowed individual initial rates of reaction and activation energies to be calculated. The activation energies for the production of both N2O and H2O area between 50 and 56 kcal*mol-1, pointing to a single process operant over the entire temperature range 363 - 408 K. The other four observed products have activation energies that are significantly higher. The activation energies for CO2 and N2 formation are 65-66 kcal*mol-1 while those for the production of CO and [NO+NO2] are 71-75 kcal*mol-1. Whether these values represent two or only one additional mechanism is not clear; however, for the 2s width uncertainty limits overlap. The processes or process involved in the formation of CO2, N2, CO, and [NO + NO2] appear(s) to change at 373K, as a dramatic drop in activation energies is observed at lower temperatures.

Miller, G. D.; Haws, L. D.; Dinegar, R. H.



Beyond homogeneous decomposition: scaling long-range forces on Massively Parallel Systems  

Science Conference Proceedings (OSTI)

With supercomputers anticipated to expand from thousands to millions of cores, one of the challenges facing scientists is how to effectively utilize this ever-increasing number. We report here an approach that creates a heterogeneous decomposition by ...

D. F. Richards; J. N. Glosli; B. Chan; M. R. Dorr; E. W. Draeger; J.-L. Fattebert; W. D. Krauss; T. Spelce; F. H. Streitz; M. P. Surh; J. A. Gunnels



A Decomposition of the Correlation Coefficient and its Use in Analyzing Forecasting Skill  

Science Conference Proceedings (OSTI)

Estimates of several components of forecasting skill can be obtained by combining a skill-score decomposition developed by Allan Murphy with techniques for decomposing correlation coefficients that have been employed in research on human ...

Thomas R. Stewart



Real-time network traffic prediction based on a multiscale decomposition  

Science Conference Proceedings (OSTI)

The presence of the complex scaling behavior in network traffic makes accurate forecasting of the traffic a challenging task. In this paper we propose a multiscale decomposition approach to real time traffic prediction. The raw traffic data is first ...

Guoqiang Mao


Note: This page contains sample records for the topic "ther mal decomposition" from the National Library of EnergyBeta (NLEBeta).
While these samples are representative of the content of NLEBeta,
they are not comprehensive nor are they the most current set.
We encourage you to perform a real-time search of NLEBeta
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Separating the Knowledge Layers: Cognitive Analysis of Search Knowledge Through Hierarchical Goal Decompositions  

E-Print Network (OSTI)

of the decomposition, to the keystroke layer at the bottom. The analysis enables a close inspection of the knowledge.g. Bates, 1979; Drabenstott, 2000), systematic observations of experts performing complex tasks (e.g. Fidel

Bhavnani, Suresh K.


Decomposition algorithms for global solution of deterministic and stochastic pooling problems in natural gas value chains  

E-Print Network (OSTI)

In this thesis, a Benders decomposition algorithm is designed and implemented to solve both deterministic and stochastic pooling problems to global optimality. Convergence of the algorithm to a global optimum is proved and ...

Armagan, Emre



Noisy matrix decomposition via convex relaxation: Optimal rates in high dimensions  

E-Print Network (OSTI)

We analyze a class of estimators based on convex relaxation for solving high-dimensional matrix decomposition problems. The observations are noisy realizations of a linear transformation [bar through "X" symbol] of the sum ...

Agarwal, Alekh


Anatomy of Synoptic EddyNAO Interaction through Eddy Structure Decomposition  

Science Conference Proceedings (OSTI)

A method of eddy structure decomposition is proposed to detect how low-frequency flow associated with the North Atlantic Oscillation (NAO) organizes systematically synoptic eddy (SE) activity to generate in-phase and upstream feedbacks. In this ...

Hong-Li Ren; Fei-Fei Jin; Li Gao



Combining Lagrangian decomposition with an evolutionary algorithm for the knapsack constrained maximum spanning tree problem  

Science Conference Proceedings (OSTI)

We present a Lagrangian decomposition approach for the Knapsack Constrained Maximum Spanning Tree problem yielding upper bounds as well as heuristic solutions. This method is further combined with an evolutionary algorithm to a sequential hybrid approach. ...

Sandro Pirkwieser; Gnther R. Raidl; Jakob Puchinger



Orthogonal Rotation of Spatial Patterns Derived from Singular Value Decomposition Analysis  

Science Conference Proceedings (OSTI)

Singular value decomposition (SYD) analysis is frequently used to identify pairs of spatial patterns whose time series are characterized by maximum temporal covariance. It tends to compress complicated temporal covariance between two fields into ...

Xinhua Cheng; Timothy J. Dunkerton



Production of Oxygen Gas and Liquid Metal by Electrochemical Decomposition of Molten Iron Oxide  

E-Print Network (OSTI)

Molten oxide electrolysis (MOE) is the electrolytic decomposition of a metal oxide, most preferably into liquid metal and oxygen gas. The successful deployment of MOE hinges upon the existence of an inert anode capable of ...

Wang, Dihua


Multiplying decomposition of stress/strain, constitutive/compliance relations, and strain energy  

E-Print Network (OSTI)

To account for phenomenological theories and a set of invariants, stress and strain are usually decomposed into a pair of pressure and deviatoric stress and a pair of volumetric strain and deviatoric strain. However, the conventional decomposition method only focuses on individual stress and strain, so that cannot be directly applied to either formulation in Finite Element Method (FEM) or Boundary Element Method (BEM). In this paper, a simpler, more general, and widely applicable decomposition is suggested. A new decomposition method adopts multiplying decomposition tensors or matrices to not only stress and strain but also constitutive and compliance relation. With this, we also show its practical usage on FEM and BEM in terms of tensors and matrices.

HyunSuk Lee; Jinkyu Kim



A Time-Scale Decomposition Approach to Statistically Downscale Summer Rainfall over North China  

Science Conference Proceedings (OSTI)

A time-scale decomposition (TSD) approach to statistically downscale summer rainfall over North China is described. It makes use of two distinct downscaling models respectively corresponding to the interannual and interdecadal rainfall ...

Yan Guo; Jianping Li; Yun Li



General Decompositions of MSE-Based Skill Scores: Measures of Some Basic Aspects of Forecast Quality  

Science Conference Proceedings (OSTI)

Skill scores defined as measures of relative mean square errorand based on standards of reference representing climatology, persistence, or a linear combination of climatology and persistenceare decomposed. Two decompositions of each skill ...

Allan H. Murphy



Comparative Analysis of Spectral, Empirical Orthogonal Function, and Wavelet Decompositions for an Upwelling Event  

Science Conference Proceedings (OSTI)

The recently developed wavelet transform, conventional spectral, and empirical orthogonal function decompositions have been applied to the vertical temperature profiles characterized with an isolated upwelling event and several other small-scale ...

Y. R. Rao; C. R. Murthy



Gas evolution from cathode materials: A pathway to solvent decomposition concomitant to SEI formation.  

SciTech Connect

This work reports a method to explore the catalytic reactivity of electrode surfaces towards the decomposition of carbonate solvents [ethylene carbonate (EC), dimethyl carbonate (DMC), and EC/DMC]. We show that the decomposition of a 1:1 wt% EC/DMC mixture is accelerated over certain commercially available LiCoO2 materials resulting in the formation of CO2 while over pure EC or DMC the reaction is much slower or negligible. The solubility of the produced CO2 in carbonate solvents is high (0.025 grams/mL) which masks the effect of electrolyte decomposition during storage or use. The origin of this decomposition is not clear but it is expected to be present on other cathode materials and may affect the analysis of SEI products as well as the safety of Li-ion batteries.

Browning, Katie L [ORNL; Baggetto, Loic [ORNL; Unocic, Raymond R [ORNL; Dudney, Nancy J [ORNL; Veith, Gabriel M [ORNL



Conditions for entanglement transformation between a class of multipartite pure states with generalized Schmidt decompositions  

E-Print Network (OSTI)

In this note we generalize Nielsen's marjoization criterion for the convertibility of bipartite pure states [Phys. Rev. Lett \\textbf{83}, 436(1999)] to a special class of multipartite pure states which have generalized Schmidt decompositions.

Yu Xin; Runyao Duan



Retrieval of Urban Boundary Layer Structures from Doppler Lidar Data. Part II: Proper Orthogonal Decomposition  

Science Conference Proceedings (OSTI)

The proper orthogonal decomposition technique is applied to 74 snapshots of 3D wind and temperature fields to study turbulent coherent structures and their interplay in the urban boundary layer over Oklahoma City, Oklahoma. These snapshots of ...

Ching-Long Lin; Quanxin Xia; Ronald Calhoun




SciTech Connect

The growing concerns for the environment and increasingly stringent standards for NO emission have presented a major challenge to control NO emissions from electric utility plants and automobiles. Catalytic decomposition of NO is the most attractive approach for the control of NO emission for its simplicity. Successful development of an effective catalyst for NO decomposition will greatly decrease the equipment and operation cost of NO control. Due to lack of understanding of the mechanism of NO decomposition, efforts on the search of an effective catalyst have been unsuccessful. Scientific development of an effective catalyst requires fundamental understanding of the nature of active site, the rate-limiting step, and an approach to prolong the life of the catalyst. The authors have investigated the feasibility of two novel approaches for improving catalyst activity and resistance to sintering. The first approach is the use of silanation to stabilize metal crystallites and supports for Cu-ZSM-5 and promoted Pt catalysts; the second is utilization of oxygen spillover and desorption to enhance NO decomposition activity. The silanation approach failed to stabilize Cu-ZSM-5 activity under hydrothermal condition. Silanation blocked the oxygen migration and inhibited oxygen desorption. Oxygen spillover was found to be an effective approach for promoting NO decomposition activity on Pt-based catalysts. Detailed mechanistic study revealed the oxygen inhibition in NO decomposition and reduction as the most critical issue in developing an effective catalytic approach for controlling NO emission.




Comparing intra- and inter-specific effects on litter decomposition in an old-field ecosystem  

Science Conference Proceedings (OSTI)

Plant species can differ in the quantity and quality of leaf litter they produce, and many studies have examined whether plant species diversity affects leaf-litter decomposition and nutrient release. A growing number of studies have indicated that intra-specific variation within plant species can also affect key ecosystem processes. However, the relative importance of intra- versus inter-specific variation for the functioning of ecosystems remains poorly known. Here, we investigate the effects of intra-specific variation in a dominant old-field plant species, tall goldenrod (Solidago altissima), and inter-specific variation among goldenrod species on litter quality, decomposition, and nitrogen (N) release. We found that the nutrient concentration of leaf litter varied among genotypes, which translated into 50% difference in decomposition rates. Variation among other goldenrod species in decomposition rate was more than twice that of genetic variation within S. altissima. Furthermore, by manipulating litterbags to contain 1, 3, 6, or 9 genotypes, we found that S. altissima genotype identity had much stronger effects than did genotypic diversity on leaf-litter quality, decomposition, and N release. Taken together, these results suggest that the order of ecological importance for controlling leaf-litter decomposition and N release dynamics is plant species identitygenotype identity>genotypic diversity.

Crutsinger, Greg [University of Tennessee; Sanders, Dr. Nathan James [University of Tennessee; Classen, Aimee T [ORNL



Efficiently enclosing the compact binary parameter space by singular-value decomposition  

SciTech Connect

Gravitational-wave searches for the merger of compact binaries use matched filtering as the method of detecting signals and estimating parameters. Such searches construct a fine mesh of filters covering a signal parameter space at high density. Previously it has been shown that singular-value decomposition can reduce the effective number of filters required to search the data. Here we study how the basis provided by the singular-value decomposition changes dimension as a function of template-bank density. We will demonstrate that it is sufficient to use the basis provided by the singular-value decomposition of a low-density bank to accurately reconstruct arbitrary points within the boundaries of the template bank. Since this technique is purely numerical, it may have applications to interpolating the space of numerical relativity waveforms.

Cannon, Kipp [LIGO Laboratory, California Institute of Technology, Pasadena, California 91125 (United States); Canadian Institute for Theoretical Astrophysics, 60 St. George Street, University of Toronto, Toronto, Ontario M5S 3H8 (Canada); Hanna, Chad [LIGO Laboratory, California Institute of Technology, Pasadena, California 91125 (United States); Perimeter Institute for Theoretical Physics, Waterloo, Ontario N2L 2Y5 (Canada); Keppel, Drew [LIGO Laboratory, California Institute of Technology, Pasadena, California 91125 (United States); Theoretical Astrophysics, California Institute of Technology, Pasadena, California 91125 (United States); Albert-Einstein-Institut, Max-Planck-Institut fuer Gravitationsphysik, D-30167 Hannover (Germany); Leibniz Universitaet Hannover, D-30167 Hannover (Germany)



Outfix-free regular languages and prime outfix-free decomposition  

E-Print Network (OSTI)

A string x is an outfix of a string y if there is a string w such that x1wx2 = y, wherex = x1x2 and a set X of strings is outfix-free if no string in X is an outfix of any other string in X. We examine the outfix-free regular languages. Based on the properties of outfix strings, we develop a polynomial-time algorithm that determines the outfix-freeness of regular languages. We consider two cases: A language is given as a set of strings and a language is given by an acyclic deterministic finite-state automaton. Furthermore, we investigate the prime outfix-free decomposition of outfix-free regular languages and design a linear-time prime outfix-free decomposition algorithm for outfix-free regular languages. We demonstrate the uniqueness of prime outfix-free decomposition.

Yo-sub Han; Derick Wood



Photo-fragmentation of the closo-carboranes Part 1: Energetics of Decomposition  

Science Conference Proceedings (OSTI)

The ionic fragmentation following B 1s and C 1s excitation of three isomeric carborane cage compounds [closo-dicarbadodecaboranes: orthocarborane (1,2-C2B10H12), metacarborane (1,7-C2B10H12), and paracarborane (1,12-C2B10H12)], is compared with the energetics of decomposition. The fragmentation yields for all three molecules are quite similar. Thermodynamic cycles are constructed for neutral and ionic species in an attempt to systemically characterize single ion closo-carborane creation and fragmentation processes. Lower energy decomposition processes are favored. Among the ionic species, the photon induced decomposition isdominated by BH+ and BH2+ fragment loss. Changes in ion yield associated with core to bound excitations are observed.

Kilcoyne, Arthur L; Feng, Danqin; Liu, Jing; Hitchcock, Adam P.; Kilcoyne, A.L. David; Tyliszczak, Tolek; Riehs, Norman F.; Rhl, Eckart; Bozek, John D.; McIlroy, David; Dowben, Peter A.



Mechanical engineering Department Seminar  

E-Print Network (OSTI)

power generation gas turbines and jet engines. As the energy efficiency of gas turbines in- creases to pro- vide thermal protection to turbine blades and vanes in the hottest sections of both electric with turbine inlet turbine, advances in turbine efficiency depend on improved ther- mal barrier coatings

Note: This page contains sample records for the topic "ther mal decomposition" from the National Library of EnergyBeta (NLEBeta).
While these samples are representative of the content of NLEBeta,
they are not comprehensive nor are they the most current set.
We encourage you to perform a real-time search of NLEBeta
to obtain the most current and comprehensive results.


FUELING THE FUTURE: Meeting Pakistan's Energy Needs in the 21st Century  

E-Print Network (OSTI)

controversy and provincial disagreements associated with storage-based hydroelec- tric power generation of the industries and ther- mal power generating units in the country, and includes 9,060 km of high pressure percent is oil. Nuclear energy accounts for only 3 percent of power generation. Current installed capacity

Vermont, University of


Effective thermal conductivity of rough spherical packed beds Majid Bahrami *, M. Michael Yovanovich, J. Richard Culham  

E-Print Network (OSTI)

relationships. The present model accounts for the thermophysical properties of spheres and the gas, load-dimensional numerical analysis which makes the FEM modeling extremely expen- sive from the calculative point of view [3]. In addition, ther- mal contact resistance (TCR) of rough spheres must be fed into the software as boundary

Bahrami, Majid



E-Print Network (OSTI)

of Electrical, Computer, and Energy Engineering, University of Colorado, Boulder, CO 80309 USA (e-mail: li power densities are making this problem more important. Characterizing the thermal profile of an IC in software and used for the full-chip ther- mal analysis and temperature-dependent leakage analysis of an IC

Dick, Robert


Solar decomposition of cadmium oxide for hydrogen production. Final subcontract report  

DOE Green Energy (OSTI)

The reactor developed for this study performed satisfactorily in establishing the feasibility of cadmium oxide decomposition under the realistic conditions of the solar-furnace environment. The solar-furnace environment is very appropriate for the evaluation of design concepts. However, the solar furnace probably cannot give precise rate data. The flux is too nonuniform, so temperatures of reactant and corresponding reaction rates are also nonuniform. One of the most important results of this project was the recovery of samples from the quench heat exchanger that contained a surprisingly large amount of metallic cadmium. The fact that the sample taken from the quench heat exchanger was metallic in appearance and contained between 67% and 84% metallic cadmium would tend to indicate recombination of cadmium vapor and oxygen can be effectively prevented by the quenching operation. It would also tend to confirm recent studies that show cadmium oxide does not sublime appreciably. Determination of the decomposition rate of cadmium oxide was severely limited by fluctuating and nonuniform reactant temperatures and baseline drift in the oxygen sensor. However, the estimated rate based on a single run seemed to follow a typical solid decomposition rate pattern with an initial acceleratory period, followed by a longer deceleratory period. From a preliminary flowsheet analysis of the cadmium-cadmium oxide cycle, it was determined that at a cadmium oxide decomposition temperature of 1400/sup 0/C and a requirement of 0.2 V in the electrolyzer the efficiency was 41%, assuming total quenching of the cadmium oxide decomposition products. This efficiency could increase to a maximum of 59% if total recovery of the latent heats of vaporization and fusion of the decomposition products is possible.

Schreiber, J. D.; Yudow, B. D.; Carty, R. H.; Whaley, T. P.; Pangborn, J. B.



Kinetics of decomposition of Colorado oil shale. I. Oil generation. [Use of isothermal and nonisothermal methods  

DOE Green Energy (OSTI)

Isothermal and nonisothermal methods were used to investigate the kinetics of oil generation during decomposition of 91.7 l/tonne (22-gal/ton) Colorado oil shale. The average of the results from these two methods gives an activation energy of 52.0 kcal/mole and a frequency factor of 3 x 10/sup 13/s/sup -1/. The process is found to be first order to within experimental error. These results compare favorably with data reported in the literature. The reliability and ease of carrying out nonisothermal kinetic experiments to study solid decomposition reactions is demonstrated. Moreover, nonisothermal experiments more accurately simulate actual in situ processing conditions.

Campbell, J.H.; Koskinas, G.; Stout, N.



Influence of the Glass Transition on the Liquid-Gas Spinodal Decomposition Vincent Testard, Ludovic Berthier, and Walter Kob  

E-Print Network (OSTI)

Influence of the Glass Transition on the Liquid-Gas Spinodal Decomposition Vincent Testard, Ludovic March 2011) We use large-scale molecular dynamics simulations to study the kinetics of the liquid-gas of the liquid-gas spinodal decomposition over a broad temperature range encompassing the glass transition

Berthier, Ludovic


Blind channel identification algorithms based on the Parafac decomposition of cumulant tensors: The single and multiuser cases  

Science Conference Proceedings (OSTI)

In this paper, we exploit the symmetry properties of 4th-order cumulants to develop new blind channel identification algorithms that utilize the parallel factor (Parafac) decomposition of cumulant tensors by solving a single-step (SS) least squares (LS) ... Keywords: Channel identification, Parameter estimation, Tensor decomposition, Underdetermined linear mixtures

Carlos Estvo R. Fernandes; Grard Favier; Joo Cesar M. Mota



Master problem approximations in Dantzig-Wolfe decomposition of variational inequality problems with applications to two energy market models  

Science Conference Proceedings (OSTI)

In this paper, a modification to Dantzig-Wolfe (DW) decomposition algorithm for variational inequality (VI) problems is considered to alleviate the computational burden and to facilitate model management and maintenance. As proposals from DW subproblems ... Keywords: Approximation of the master problem, Dantzig-Wolfe decomposition, Equilibrium modeling, Variational inequalities

Emre Elebi, J. David Fuller



Monotone Domain Decomposition Iterative Method and its Convergence for a Nonlinear Integro-Differential Equation of Volterra Type  

E-Print Network (OSTI)

We apply the monotone domain decomposition iterative method to a nonlinear integro-differential equation of Volterra type and prove its convergence. To do this, by adding a term in both sides of the original equation we make a linear equation to get a monotone domain decomposition iterative scheme and prove the existence, uniqueness and convergence of iterative solutions.

Myong-Gil Rim; Dong-Hyok Kim



On Brayton-Moser network decomposition and state-space energy based generalization of Nos-Hoover dynamics  

Science Conference Proceedings (OSTI)

This paper deals with generalization of the Brayton-Moser network decomposition and related structural properties to a relatively large class of finite dimensional strictly causal systems, which can be described in the state-space representation form. ... Keywords: active power, decomposition, dissipation power, reactive power, state-space energy

Josef Hrusak; Milan Stork; Daniel Mayer



Decomposition of a complex fuzzy controller for the truck-and-trailer reverse parking problem  

Science Conference Proceedings (OSTI)

The use of fuzzy logic has, in the last twenty years, become standard practice in the field of control. The reason lies in the fuzzy logic's ability to relatively quickly transfer uncertain experience and knowledge about the observed object's behaviour ... Keywords: Decomposition, Fuzzy control, Fuzzy systems, Hierarchical fuzzy controller, Truck-and-trailer parking

Nikolaj Zimic; Miha Mraz



A Benders decomposition approach for a distribution network design problem with consolidation and capacity considerations  

Science Conference Proceedings (OSTI)

We develop a model for a strategic freight-forwarding network design problem in which the design decisions involve the locations and capacities of consolidation and deconsolidation centers, and capacities on linehaul linkages as well as the shipment ... Keywords: Benders decomposition, Consolidation, Network design

Halit Ster; Homarjun Agrahari



A new domain decomposition method with overlapping patches for ultrascale simulations: Application to biological flows  

Science Conference Proceedings (OSTI)

We address the failure in scalability of large-scale parallel simulations that are based on (semi-)implicit time-stepping and hence on the solution of linear systems on thousands of processors. We develop a general algorithmic framework based on domain ... Keywords: Arterial network, CFD, Multi-domain decomposition, Petaflop computing, Scalability, Spectral element method

L. Grinberg; G. E. Karniadakis



Spectral decomposition aids AVO analysis in reservoir characterization: A case study of Blackfoot field, Alberta, Canada  

Science Conference Proceedings (OSTI)

Blackfoot field, Alberta, Canada, has produced oil and gas from a Glauconitic compound incised valley-system. In this area channels can be filled with sands and/or shales. Differentiation of prospective channel sands and non-productive shales was always ... Keywords: Amplitude anomaly, Fluid, Lithology, Sand, Spectral decomposition

Wang Jung Yoon; Mohammed Farfour



A novel decomposition and distributed computing approach for the solution of large scale optimization models  

Science Conference Proceedings (OSTI)

Abstract: Biomass feedstock production is an important component of the biomass based energy sector. Seasonal and distributed collection of low energy density material creates unique challenges, and optimization of the complete value chain is critical ... Keywords: Agent-based modeling, Biomass feedstock, Computation, Decomposition, Optimization

Yogendra Shastri; Alan Hansen; Luis Rodrguez; K. C. Ting




E-Print Network (OSTI)

FUSION OF VISIBLE AND INFRARED IMAGES USING EMPIRICAL MODE DECOMPOSITION TO IMPROVE FACE of Tennessee, Knoxville, TN-37996 ABSTRACT In this effort, we propose a new image fusion technique, utilizing). In this method, we decompose images from different imaging modalities into their IMFs. Fusion is performed

Koschan, Andreas


A New Decomposition Technique in Solving Multistage Stochastic Linear Programs by Infeasible Interior Point Methods  

Science Conference Proceedings (OSTI)

Multistage stochastic linear programming (MSLP) is a powerful tool for making decisions under uncertainty. A deterministic equivalent problem of MSLP is a large-scale linear program with nonanticipativity constraints. Recently developed infeasible interior ... Keywords: Decomposition, Infeasible primal-dual interior point method, Scenario analysis, Stochastic linear programs

Xinwei Liu; Jie Sun



Principal component analysis of binary data by iterated singular value decomposition  

Science Conference Proceedings (OSTI)

The maximum-likelihood estimates of a principal component analysis on the logit or probit scale are computed using majorization algorithms that iterate a sequence of weighted or unweighted singular value decompositions. The relation with similar methods ... Keywords: Applications to social sciences, Binary data, Factor analysis, Item response models, Multivariate analysis

Jan de Leeuw



Outfix-Free Regular Languages and Prime Outfix-Free Decomposition  

E-Print Network (OSTI)

Outfix-Free Regular Languages and Prime Outfix-Free Decomposition Yo-Sub Han and Derick Wood and a set X of strings is outfix-free if no string in X is an outfix of any other string in X. We examine the outfix-free regular languages. Based on the properties of outfix strings, we develop a polynomial

Han, Yo-Sub



DOE Patents (OSTI)

An improved process is presented for the deposition of nickel coatings by the thermal decomposition of nickel carbonyl vapor. The improvement consists in incorporating a small amount of hydrogen sulfide gas in the nickel carbonyl plating gas. It is postulated that the hydrogen sulfide functions as a catalyst. i

Hoover, T.B.


Note: This page contains sample records for the topic "ther mal decomposition" from the National Library of EnergyBeta (NLEBeta).
While these samples are representative of the content of NLEBeta,
they are not comprehensive nor are they the most current set.
We encourage you to perform a real-time search of NLEBeta
to obtain the most current and comprehensive results.


Molecular C dynamics downstream: The biochemical decomposition sequence and its impact on soil organic  

E-Print Network (OSTI)

Molecular C dynamics downstream: The biochemical decomposition sequence and its impact on soil chemistry. As a result, the molecular characteristics of soil C are now known for a range of ecosystems research. Here we present a conceptual model of molecular soil C dynamics to stimulate inter- disciplinary

Neff, Jason


On trigonometric-like decompositions of functions with respect to the cyclic group of order n  

E-Print Network (OSTI)

The cyclic group labeled family of quasi-projection operators is used for investigation of decomposition of functions with respect to the cyclic group of order n . Series of new identities thus arising are demonstrated and new perspectives for further investigation are indicated as for example in the case of q-extended special polynomials.

A. K. Kwasniewski; B. K. Kwasniewski



An Improved Days-Ahead Transaction Bidding Model Based on Power Decomposition  

Science Conference Proceedings (OSTI)

With the development of electricity market fair competition becomes the most important and basic principle. Although the transmission losses account for a very small part in the full cost of the electric transactions, how to allocate the transmission ... Keywords: Electricity market, days-ahead transaction, loss correction, power decomposition, nodal cost conservation

Fang Zhang; Hai Bao; YiHan Yang; LiWei Zhao



Efficient Recursive Digital Filters using Combined Look-Ahead Denominator Distribution and Numerator Decomposition  

Science Conference Proceedings (OSTI)

This paper presents a new efficient method for designing stable look-ahead pipelined recursive digital filters with reduced multipliers. The multiplier savings are obtained by generating pipelined transfer functions which combine numerator decomposition ... Keywords: IIR digital filters, iteration bound, look ahead pipelining, resource minimisation

J. Living; M. Moniri; S. B. Tennakoon



Nanofaceting and alloy decomposition: From basic studies to advanced photonic devices  

Science Conference Proceedings (OSTI)

Most of the modern epitaxial structures for semiconductor lasers serving the needs of optical storage and fiber pumping are grown on misoriented GaAs(001) substrates. It has been found in metal-organic vapor-phase epitaxy that surface misorientation ... Keywords: Alloy decomposition, High resolution, Nanofaceting, Photonic bangap crystal laser, Polarized photoluminescence, Quantum well, Quantum wire, Transmission electron microscopy

V. A. Shchukin; N. N. Ledentsov; I. P. Soshnikov; N. V. Kryzhanovskaya; M. V. Maximov; N. D. Zakharov; P. Werner; D. Bimberg



Component-oriented decomposition for multidisciplinary design optimization in building design  

Science Conference Proceedings (OSTI)

The potential of Multidisciplinary Design Optimization (MDO) is not sufficiently exploited in current building design practice. I argue that this field of engineering requires a special setup of the optimization model that considers the uniqueness of ... Keywords: Building-design-specific decomposition, Design structure matrix (DSM), Interactive CAD, Multidisciplinary design optimization (MDO), Preference criteria

Philipp Geyer



A literature review of radiolytic gas generation as a result of the decomposition of sodium nitrate wastes  

DOE Green Energy (OSTI)

The objective of this literature review is to determine expected chemical reactions and the gas generation associated with radiolytic decomposition of radioactive sodium nitrate wastes such as the wastes stored in the Melton Valley Storage Tanks (MVST) at Oak Ridge National Laboratory (ORNL). The literature survey summarizes expected chemical reactions and identifies the gases expected to be generated as a result of the radiolytic decomposition. The literature survey also identifies G values, which are the expression for radiation chemical yields as molecules of gas formed per 100 eV of absorbed energy, obtained from experimental studies of the radiolytic decomposition of water and sodium nitrate. 2 tabs., 32 refs.

Kasten, J.L.



Word error rates: Decomposition over POS classes and applications for error analysis  

E-Print Network (OSTI)

Evaluation and error analysis of machine translation output are important but difficult tasks. In this work, we propose a novel method for obtaining more details about actual translation errors in the generated output by introducing the decomposition of Word Error Rate (WER) and Position independent word Error Rate (PER) over different Partof-Speech (POS) classes. Furthermore, we investigate two possible aspects of the use of these decompositions for automatic error analysis: estimation of inflectional errors and distribution of missing words over POS classes. The obtained results are shown to correspond to the results of a human error analysis. The results obtained on the European Parliament Plenary Session corpus in Spanish and English give a better overview of the nature of translation errors as well as ideas of where to put efforts for possible improvements of the translation system. 1

Maja Popovi?; Hermann Ney



Adaptive kinetic Monte Carlo simulation of methanol decomposition on Cu(100)  

DOE Green Energy (OSTI)

The adaptive kinetic Monte Carlo method was used to calculate the dynamics of methanol decomposition on Cu(100) at room temperature over a time scale of minutes. Mechanisms of reaction were found using min-mode following saddle point searches based upon forces and energies from density functional theory. Rates of reaction were calculated with harmonic transition state theory. The dynamics followed a pathway from CH3-OH, CH3-O, CH2-O, CH-O and finally C-O. Our calculations confirm that methanol decomposition starts with breaking the O-H bond followed by breaking C-H bonds in the dehydrogenated intermediates until CO is produced. The bridge site on the Cu(100) surface is the active site for scissoring chemical bonds. Reaction intermediates are mobile on the surface which allows them to find this active reaction site. This study illustrates how the adaptive kinetic Monte Carlo method can model the dynamics of surface chemistry from first principles.

Xu, Lijun; Mei, Donghai; Henkelman, Graeme A.



Wavelet-Based Nonlinear Multiscale Decomposition Model for Electricity Load Forecasting  

E-Print Network (OSTI)

ABSTRACT: We propose a wavelet multiscale decomposition based autoregressive approach for the prediction of one-hour ahead ahead load based on historical electricity load data. This approach is based on a multiple resolution decomposition of the signal using the non-decimated or redundant Haar trous wavelet transform whose advantage is taking into account the asymmetric nature of the time-varying data. There is an additional computational advantage in that there is no need to recompute the wavelet transform (wavelet coefficients) of the full signal if the electricity data (time series) is regularly updated. We assess results produced by this multiscale autoregressive (MAR) method, in both linear and non-linear variants, with single resolution autoregression (AR), multilayer perceptron (MLP), Elman recurrent neural network (ERN) and the general regression neural network (GRNN) models. Results are based on the New South Wales (Australia) electricity load data that is provided by the National Electricity Market

D. Benaouda; F. Murtagh; J. L. Starck; O. Renaud; Universiti Tenaga Nasional; Jalan Kajang-puchong



Kinetics of Methane Hydrate Decomposition Studied via in Situ Low Temperature X-ray Powder Diffraction  

SciTech Connect

Gas hydrates are known to have a slowed decomposition rate at ambient pressure and temperatures below the melting point of ice termed self-preservation or anomalous preservation. As hydrate exothermically decomposes, gas is released and water of the clathrate cages transforms into ice. Two regions of slowed decomposition for methane hydrate, 180 200 K and 230 260 K, were observed, and the kinetics were studied by in situ low temperature x-ray powder diffraction. The kinetic constants for ice formation from methane hydrate were determined by the Avrami model within each region and activation energies, Ea, were determined by the Arrhenius plot. Ea determined from the data for 180 200 K was 42 kJ/mol and for 230 260 K was 22 kJ/mol. The higher Ea in the colder temperature range was attributed to a difference in the microstructure of ice between the two regions.

Everett, Susan M [ORNL; Rawn, Claudia J [ORNL; Keffer, David J. [University of Tennessee, Knoxville (UTK); Mull, Derek L [ORNL; Payzant, E Andrew [ORNL; Phelps, Tommy Joe [ORNL



Thermal Properties of Uranium-Molybdenum Alloys: Phase Decomposition Effects of Heat Treatments  

E-Print Network (OSTI)

Uranium-Molybdenum (U-Mo) alloys are of interest to the nuclear engineering community for their potential use as reactor fuel. The addition of molybdenum serves to stabilize the gamma phase of uranium, as well as increasing the melting point of the fuel. Thermal properties of U-Mo alloys have not been fully characterized, especially within the area of partial phase decomposition of the gamma phase of the alloy. Additional data was acquired through this research to expand the characterization data set for U-Mo alloys. The U-Mo alloys used for this research were acquired from the Idaho National Laboratory and consisted of three alloys of nominal 7, 10, and 13 percent molybdenum by weight. The sample pins were formed by vacuum induction melt casting. Once the three sample pins were fabricated and sent to the Fuel Cycle and Materials Laboratory at Texas A&M University, the pins were homogenized and sectioned for heat treatment. Several heat treatments were performed on the samples to induce varying degrees of phase decomposition, and the samples were subsequently sectioned for phase verification and thermal analysis. An Electron Probe Microanalyzer with wavelength dispersive spectroscopy was used to observe the phases in the samples as well as to characterize each phase. The density of each sample was determined using Archimedes method. Finally, a light flash analyzer was used to determine thermal diffusivity of the samples up to 300 degrees C as well as to estimate the thermal conductivity. For U-10Mo, thermal diffusivity increased with increasing phase decomposition from gamma to alpha +U2Mo while U-7Mo saw a flattening of the thermal diffusivity curve with increased phase decomposition.

Creasy, John Thomas



A quasimechanism of melt acceleration in the thermal decomposition of crystalline organic solids  

SciTech Connect

It has been know for half a century that many crystalline organic solids undergo an acceleration in the rate of thermal decomposition as the melting temperature is approached. This acceleration terminates at the melting point, exhibiting an Arrhenius-like temperature dependence in the faster decomposition rate from the liquid phase. This observation has been modeled previously using various premelting behaviors based on e.g. freezing point depression induced by decomposition products or solvent impurities. These models do not, however, indicate a mechanism for liquid formation and acceleration which is an inherent function of the bulk thermodynamics of the molecule. Here we show that such an inherent thermodynamic mechanism for liquid formation exists in the form of the so-called quasi-liquid layer at the solid surface. We explore a kinetic mechanism which describes the acceleration of rate and is a function of the free energies of sublimation and vaporization. We construct a differential rate law from these thermodynamic free energies and a normalized progress variable. We further construct a reduced variable formulation of the model which is a simple function of the metastable liquid activity below the melting point, and show that it is applicable to the observed melt acceleration in several common organic crystalline solids. A component of the differential rate law, zero order in the progress variable, is shown to be proportional to the thickness of the quasiliquid layer predicted by a recent thermodynamic theory for this phenomenon. This work therefore serves not only to provide new insight into thermal decomposition in a broad class or organic crystalline solids, but also further validates the underlying thermodynamic nature of the phenomenon of liquid formation on the molecular surface at temperatures below the melting point.

Henson, Bryan F [Los Alamos National Laboratory



Application of Empirical Mode Decomposition (EMD) on DaTSCAN SPECT images to explore Parkinson Disease  

Science Conference Proceedings (OSTI)

Parkinsonism is the second most common neurodegenerative disorder. It includes several pathologies with similar symptoms, what makes the diagnosis really difficult. I-ioflupane allows to obtain in vivo images of the brain that can be used to assist the ... Keywords: Computer Aided Diagnosis (CAD), DaTSCAN, Empirical Mode Decomposition (EMD), Independent Component Analysis (ICA), Parkinson Disease (PD), Parkinsonian Syndrome (PS), Principal Component Analysis (PCA), Support Vector Machines (SVM)

A. Rojas; J. M. GRriz; J. RamRez; I. A. IllN; F. J. MartNez-Murcia; A. Ortiz; M. GMez RO; M. Moreno-Caballero



Occupational Hygiene Aspects of Sulfur Hexafluoride Decomposition By-Products: Workshop Summary  

Science Conference Proceedings (OSTI)

Sulfur hexafluoride (SF6) is an inert gas that is present in many different types of electrical utility equipment. While the environmental concerns about this gas have been widely addressed, worker exposure aspects of SF6 decomposition by-products have not been fully explored. To address this knowledge gap, EPRI conducted a workshop on March 12, 2013, in Charlotte, North Carolina. This workshop was designed to 1) address the perspectives of occupational hygiene and engineering ...



An investigation of urea decomposition and selective non-catalytic removal of nitric oxide with urea  

E-Print Network (OSTI)

The use of urea (NH2CONH2) to remove nitric oxide (NO) from exhaust streams was investigated using a laboratory laminar-flow reactor. The experiments used a number of gas compositions to simulate different combustion exhaust gases. The urea was injected into the gases as a urea-water solution. The decomposition processes of the urea-water solutions and urea powder were examined. For both the nitric oxide removal and the urea decomposition experiments, a Fourier transform infrared (FTIR) spectrometer was used to determine the concentrations of the product species. The products from the decomposition were examined every 50 K from 500 K to 800 K. The dominant products were ammonia (NH3), isocyanuric acid (HNCO) and carbon dioxide (CO2). In case of urea-water solution decomposition, for gas temperatures between 550 and 650 K, the highest concentrations were for NH3 and HNCO. On the other hand, the concentrations of CO2 were highest for gas temperatures of about 500 - 550 K. For temperatures above about 650 K, the amount of these three dominant prod-ucts slightly decreased as temperature increased. ivFor the nitric oxide removal (SNCR) experiments, the gas mixture was heated to temperatures between 800 K and 1350 K. Depending on the temperature, gas composition, residence time, and urea feed rate, removal levels of up to 95% were obtained. Other by-products such as N2O were detected and quantified. The effects of the urea/NO (beta) ratio were determined by varying the urea concentration for a constant NO con-centration of 330 ppm. The effects of the levels of oxygen (O2) in the exhaust gases and the residence time also were investigated. Increasing the urea/NO ratio and residence time resulted in higher NO removal and increased the temperature window of the nitric oxide removal.

Park, Yong Hun



Dimethyl methylphosphonate Decomposition on fully Oxidized and Partially Reduced ceria Thin Films  

DOE Green Energy (OSTI)

The thermal decomposition of dimethyl methylphosphonate (DMMP) on crystalline ceria thin films grown on Ru(0 0 0 1) was studied by temperature programmed desorption (TPD), X-ray photoelectron spectroscopy (XPS) and infrared absorption reflection spectroscopy (IRAS). TPD experiments show that methanol and formaldehyde desorb as the two main products at 575 K, while water, formaldehyde and CO are produced above 800 K. IRAS studies demonstrate that DMMP adsorbs via the phosphoryl oxygen at 200 K, but the P{double_bond}O bond converts to a bridging O{single_bond}P{single_bond}O species at 300 K. DMMP decomposition initially occurs via P{_}OCH{sub 3} bond scission to form methyl methylphosphonate (MMP) and methyl phosphonate (MP) between 300 and 500 K; XPS and IRAS data are consistent with a methoxy intermediate on the surface at these temperatures. The more stable P{_}CH{sub 3} bonds remain intact up to 700 K, and the only surface intermediate at higher temperatures is believed to be PO{sub x}. Although the presence of PO{sub x} decreases activity for DMMP decomposition, some activity on the ceria surface remains even after 7 cycles of adsorption and reaction. The ceria films become reduced by multiple DMMP adsorption-reaction cycles, with the Ce{sup +4} content dropping to 30% after seven cycles. Investigations of DMMP reaction on reduced ceria surfaces show that CO and H{sub 2} are produced in addition to methanol and formaldehyde. Furthermore, DMMP decomposition activity on the reduced ceria films is almost completely inhibited after only 3 adsorption-reaction cycles. Similarities between DMMP and methanol chemistry on the ceria films suggest that methoxy is a key surface intermediate in both reactions.

Chen, D.; Ratliff, J; Hu, X; Gordon, W; Senanayake, S; Mullins, D



A New Spatial-Scale Decomposition of the Brier Score: Application to the Verification of Lightning Probability Forecasts  

Science Conference Proceedings (OSTI)

A new scale decomposition of the Brier score for the verification of probabilistic forecasts defined on a spatial domain is introduced. The technique is illustrated on the Canadian Meteorological Centre (CMC) lightning probability forecasts. ...

B. Casati; L. J. Wilson



Investigation of Vertical and Horizontal Momentum Transfer in the Gulf of Mexico Using Empirical Mode Decomposition Method  

Science Conference Proceedings (OSTI)

Data from a series of deep mooring stations in the Gulf of Mexico (GOM) have been analyzed with the newly developed empirical mode decomposition and Hilbert spectral analysis method, abbreviated as HilbertHuang transformation (HHT). The flows in ...

Ronald J. Lai; Norden Huang



Trend Singular Value Decomposition Analysis and Its Application to the Global Ocean Surface Latent Heat Flux and SST Anomalies  

Science Conference Proceedings (OSTI)

Given the complexity of trends in the actual climate system, distinguishing between different trends and different trend modes is important for climate research. This study introduces a new method called trend singular value decomposition (TSVD) ...

Gen Li; Baohua Ren; Jianqiu Zheng; Chengyun Yang


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On the Reflection Type Decomposition of the Adjoint Reduced Phase Space of a Compact Semisimple Lie group  

E-Print Network (OSTI)

We consider a system with symmetries whose configuration space is a compact Lie group, acted upon by inner automorphisms. The classical reduced phase space of this system decomposes into connected components of orbit type subsets. To investigate hypothetical quantum effects of this decomposition one has to construct the associated costratification of the Hilbert space of the quantum system in the sense of Huebschmann. In the present paper, instead of the decomposition by orbit types, we consider the related decomposition by reflection types (conjugacy classes of reflection subgroups). These two decompositions turn out to coincide e.g. for the classical groups SU(n) and Sp(n). We derive defining relations for reflection type subsets in terms of irreducible characters and discuss how to obtain from that the corresponding costratification of the Hilbert space of the system. To illustrate the method, we give explicit results for some low rank classical groups.

Martin Hofmann; Gerd Rudolph; Matthias Schmidt



GaN CVD Reactions: Hydrogen and Ammonia Decomposition and the Desorption of Gallium  

DOE Green Energy (OSTI)

Isotopic labeling experiments have revealed correlations between hydrogen reactions, Ga desorption, and ammonia decomposition in GaN CVD. Low energy electron diffraction (LEED) and temperature programmed desorption (TPD) were used to demonstrate that hydrogen atoms are available on the surface for reaction after exposing GaN(0001) to deuterium at elevated temperatures. Hydrogen reactions also lowered the temperature for Ga desorption significantly. Ammonia did not decompose on the surface before hydrogen exposure. However, after hydrogen reactions altered the surface, N15H3 did undergo both reversible and irreversible decomposition. This also resulted in the desorption of N2 of mixed isotopes below the onset of GaN sublimation, This suggests that the driving force of the high nitrogen-nitrogen bond strength (226 kcal/mol) can lead to the removal of nitrogen from the substrate when the surface is nitrogen rich. Overall, these findings indicate that hydrogen can influence G-aN CVD significantly, being a common factor in the reactivity of the surface, the desorption of Ga, and the decomposition of ammonia.

Bartram, Michael E.; Creighton, J. Randall




DOE Green Energy (OSTI)

The manufacture of hydrogen from natural gas is essential for the production of ultra clean transportation fuels. Not only is hydrogen necessary to upgrade low quality crude oils to high-quality, low sulfur ultra clean transportation fuels, hydrogen could eventually replace gasoline and diesel as the ultra clean transportation fuel of the future. Currently, refinery hydrogen is produced through the steam reforming of natural gas. Although efficient, the process is responsible for a significant portion of refinery CO2 emissions. This project is examining the direct catalytic decomposition of methane as an alternative to steam reforming. The energy required to produce one mole of hydrogen is slightly lower and the process does not require water-gas-shift or pressure-swing adsorption units. The decomposition process does not produce CO2 emissions and the product is not contaminated with CO -- a poison for PEM fuel cells. In this work we examined the direct catalytic decomposition of methane over a metal modified zeolite catalyst and the recovery of catalyst activity by calcination. A favorable production of hydrogen was obtained, when compared with previously reported nickel-zeolite supported catalysts. Reaction temperature had a strong influence on catalyst activity and on the type of carbon deposits. The catalyst utilized at 873 and 973 K could be regenerated without any significant loss of activity, however the catalyst utilized at 1073 K showed some loss of activity after regeneration.

Lucia M. Petkovic; Daniel M. Ginosar; Kyle C. Burch; Harry W. Rollins




E-Print Network (OSTI)

with the goal of understanding the atom. probably its first success was to compute accurately the ground state result in this direction was the creation of Thomas­Fermi (TF) theory. They attempted to understand atoms


Synthesis and thermal decomposition properties of hydrogen-rich phosphorus salts.  

DOE Green Energy (OSTI)

Complex metal hydrides continue to be investigated as solid-materials for hydrogen storage. Traditional interstitial metal hydrides offer favorable thermodynamics and kinetics for hydrogen release but do not meet energy density requires. Anionic metal hydrides, and complex metal hydrides like magnesium borohydride have higher energy densities compared to interstitial metal hydrides, but poor kinetics and/or thermodynamically unfavorable side products limit their deployment as hydrogen storage materials in transportation applications. Main-group anionic materials such as the bis(borane)hypophosphite salt [PH2(BH3)2] have been known for decades, but only recently have we begun to explore their ability to release hydrogen. We have developed a new procedure for synthesizing the lithium and sodium hypophosphite salts. Routes for accessing other metal bis(borane)hypophosphite salts will be discussed. A significant advantage of this class of material is the air and water stability of the anion. Compared to metal borohydrides, which reactive violently with water, these phosphorus-based salts can be dissolved in protic solvents, including water, with little to no decomposition over the course of multiple days. The ability of these salts to release hydrogen upon heating has been assessed. While preliminary results indicate phosphine and boron-containing species are released, hydrogen is also a major component of the volatile species observed during the thermal decomposition. Additives such as NaH or KH mixed with the sodium salt Na[PH2(BH3)2] significantly perturb the decomposition reaction and greatly increase the mass loss as determined by thermal gravimetric analysis (TGA). This symbiotic behavior has the potential to affect the hydrogen storage ability of bis(borane)hypophosphite salts.

Cordaro, Joseph Gabriel



Reaction mechanism of cumene hydroperoxide decomposition in cumene and evaluation of its reactivity hazards  

E-Print Network (OSTI)

Cumene hydroperoxide (CHP), a type of organic peroxide, is widely used in the chemical industry for diverse applications. However, it decomposes and undergoes highly exothermic runaway reactions under high temperature because of its unstable peroxide functional group. The risk of runaway reaction is intensified by the fact that operation temperature of CHP is close to its onset temperature in many cases. To ensure safe handling of CHP in the chemical industry, a lot of research has been done on it including theoretical research at the microscopic level and experimental research at the macroscopic level. However, the unstable radicals in the CHP decomposition reactions make it difficult to study its reaction pathway, and therefore lead to incomplete understanding of the reaction mechanism. The slow progress in theoretical research hinders the application of the theoretical prediction in experimental research. For experimental research, the lack of integration of operational parameters into the reactivity evaluation limits its application in industrial process. In this thesis, a systematic methodology is proposed to evaluate the reactivity hazards of CHP. This methodology is a combination of theoretical research using computational quantum chemistry method and experimental research using RSSTTM. The theoretical research determined the dominant reaction pathway of CHP decomposition reaction through the study of thermodynamic and kinetic stability, which was applied to the analysis of experimental results. The experimental research investigated the effect of CHP concentration on runaway reactions by analyzing the important parameters including temperature, pressure, self-heat rate and pressure rate. This methodology could also be applied to other organic peroxides or other reactive chemicals. The results of theoretical research on reaction mechanism show that there is a dominant reaction pathway, which consumes most of the CHP in decomposition reaction. This conclusion agrees with the experimental results that 40 wt% is a critical point for almost all important parameters of runaway reactions. In the high concentration range above 40 wt%, some unknown reaction pathways are involved in decomposition of CHP because of lack of cumene. The shift of reaction mechanism causes the change of the effect of concentration on runaway reactions.

Lu, Yuan



PT symmetry, Cartan decompositions, Lie triple systems and Krein space related Clifford algebras  

E-Print Network (OSTI)

Gauged PT quantum mechanics (PTQM) and corresponding Krein space setups are studied. For models with constant non-Abelian gauge potentials and extended parity inversions compact and noncompact Lie group components are analyzed via Cartan decompositions. A Lie triple structure is found and an interpretation as PT-symmetrically generalized Jaynes-Cummings model is possible with close relation to recently studied cavity QED setups with transmon states in multilevel artificial atoms. For models with Abelian gauge potentials a hidden Clifford algebra structure is found and used to obtain the fundamental symmetry of Krein space related J-selfadjoint extensions for PTQM setups with ultra-localized potentials.

Uwe Guenther; Sergii Kuzhel



Application of Domain Decomposition to the Evaluation of Fermion Determinant Ratios  

E-Print Network (OSTI)

We analyze the fluctuations in the case of mass reweighting for N_f=2 Wilson fermions. We use a domain decomposition factorization of the fermion determinant. Ratios of determinants are estimated stochastically. We study the stochastic and the ensemble fluctuations as a function of the volume V and the mass shift Delta m. With our result it is possible to estimate the cost and the effectiveness of mass reweighting. In addition we introduce a stochastic estimation for the one flavor case without using the square root.

Jacob Finkenrath; Francesco Knechtli; Bjrn Leder



Theoretical Study of the Thermal Decomposition of a Jet Fuel Surrogate  

E-Print Network (OSTI)

In a scramjet, the fuel can be used to cool down the engine walls. The thermal decomposition of the jet fuel changes the reacting mixture before its combustion. A numerical study of the pyrolysis of norbornane, a jet fuel surrogate, has been performed. Rate constants of some sensitive reaction channels have been calculated by means of quantum chemical calculations at the CBS-QB3 level of theory. The mechanism has been validated against experimental results obtained in a jet-stirred reactor and important and/or sensitive pathways have been derived.

Sirjean, Baptiste; Glaude, Pierre-Alexandre; Ruiz-Lopez, M F; Fournet, Ren



Theoretical Study of the Thermal Decomposition of Carboxylic Acids at Pyrolysis Temperature  

Science Conference Proceedings (OSTI)

Carboxylic acids are important in the processing of biomass into renewable fuels and chemicals. They are formed from the pretreatment and pyrolysis of hemicellulose biopolymers and are released from the decomposition of sugars. They result from the deconstruction of polyhydroxyalkanoates (bacterial carbon storage polymers) from fatty acids derived from algae, bacteria, and oil crops. The thermal deoxygenation of carboxylic acids is an important step in the conversion of biomass into aliphatic hydrocarbons suitable for use in renewable biofuels and as petrochemical replacements. Decarboxylation, a primary decomposition pathway under pyrolysis conditions, represents an ideal conversion process, because it eliminates two atoms of oxygen for every carbon atom removed. Problematically, additional deoxygenation processes exist (e.g. dehydration) that are in direct competition with decarboxylation and result in the formation of reactive and more fragmented end products. To better understand the competition between decarboxylation and other deoxygenation processes and to gain insight into possible catalysts that would favor decarboxylation, we have investigated the mechanisms and thermochemistry of the various unimolecular and bimolecular deoxygenation pathways for a family of C1-C4 organic acids using electronic structure calculations at the M06-2X/6-311++G(2df,p) level of theory.

Clark, J. M.; Robichaud, D. J.; Nimlos, M. R.



Density-based Energy Decomposition Analysis for Intermolecular Interactions with Variationally Determined Intermediate State Energies  

DOE Green Energy (OSTI)

The first purely density-based energy decomposition analysis (EDA) for intermolecular binding is developed within the density functional theory. The most important feature of this scheme is to variationally determine the frozen density energy, based on a constrained search formalism and implemented with the Wu-Yang algorithm [Q. Wu and W. Yang, J. Chem. Phys. 118, 2498 (2003) ]. This variational process dispenses with the Heitler-London antisymmetrization of wave functions used in most previous methods and calculates the electrostatic and Pauli repulsion energies together without any distortion of the frozen density, an important fact that enables a clean separation of these two terms from the relaxation (i.e., polarization and charge transfer) terms. The new EDA also employs the constrained density functional theory approach [Q. Wu and T. Van Voorhis, Phys. Rev. A 72, 24502 (2005)] to separate out charge transfer effects. Because the charge transfer energy is based on the density flow in real space, it has a small basis set dependence. Applications of this decomposition to hydrogen bonding in the water dimer and the formamide dimer show that the frozen density energy dominates the binding in these systems, consistent with the noncovalent nature of the interactions. A more detailed examination reveals how the interplay of electrostatics and the Pauli repulsion determines the distance and angular dependence of these hydrogen bonds.

Wu, Q.; Ayers, P.W.; Zhang, Y.




DOE Green Energy (OSTI)

A conceptual design is presented for a Hybrid Sulfur process for the production of hydrogen using a high-temperature nuclear heat source to split water. The process combines proton exchange membrane-based SO{sub 2}-depolarized electrolyzer technology being developed at Savannah River National Laboratory with silicon carbide bayonet decomposition reactor technology being developed at Sandia National Laboratories. Both are part of the US DOE Nuclear Hydrogen Initiative. The flowsheet otherwise uses only proven chemical process components. Electrolyzer product is concentrated from 50 wt% sulfuric acid to 75 wt% via recuperative vacuum distillation. Pinch analysis is used to predict the high-temperature heat requirement for sulfuric acid decomposition. An Aspen Plus{trademark} model of the flowsheet indicates 340.3 kJ high-temperature heat, 75.5 kJ low-temperature heat, 1.31 kJ low-pressure steam, and 120.9 kJ electric power are consumed per mole of H{sub 2} product, giving an LHV efficiency of 35.3% (41.7% HHV efficiency) if electric power is available at a conversion efficiency of 45%.

Gorensek, M; William Summers, W



Mechanistic investigations of condensed-phase energetic-material decomposition processes using the kinetic deuterium isotope effect  

Science Conference Proceedings (OSTI)

The condensed phase kinetic deuterium isotope effect (KDIE) approach directly reveals the rate-controlling mechanistic step that ultimately determines the rate at which energy is released by an energetic material's thermochemical decomposition process. This paper reviews the KDIE concept and discusses previous condensed phase KDIE mechanistic investigations conducted during the thermochemical decomposition process of various nitroaromatic (TNT, HNBB, TATB) and nitramine (HMX, RDX) compounds using isothermal DSC and TGA analyses. Isothermal DSC evaluation methods used for obtaining an energetic compound's KDIE and in determining its rate-controlling step are outlined, and the possible dependence of the rate-limiting step on a energetic compound's physical state during the thermochemical decomposition process is considered.

Shackelford, S.A.



Mechanistic relationships of the decomposition process to combustion and explosion events from kinetic deuterium-isotope-effect investigations  

Science Conference Proceedings (OSTI)

The condensed-phase kinetic deuterium isotope effect (KDIE) approach directly determines the overall rate-controlling mechanistic step of an energetic material's complex thermochemical decomposition process. This second paper discusses extending the KDIE approach into progressively more drastic high temperature/pressure/rate regimes encountered with pyrolytic decomposition/deflagration, combustion, thermal explosion, and detonation incidents in order to determine the rate-controlling step of each. This rate-controlling step provides a common basis for comparing the mechanistic similarities or differences among these high energy incidents; and possible relationships between the thermochemical decomposition process and higher order combustion or explosion incidents are described for HMX, RDX, TATB, and TNT. The KDIE determined rate-controlling step between a pure nitramine compound and a formulated energetic material also is compared.

Shackelford, S.A.



A Primal-Dual Decomposition-Based Interior Point Approach to Two-Stage Stochastic Linear Programming  

E-Print Network (OSTI)

Decision making under uncertainty is a challenge faced by many decision makers. Stochastic programming is a major tool developed to deal with optimization with uncertainties that has found applications in, e.g. finance, such as asset-liability and bond-portfolio management. Computationally however, many models in stochastic programming remain unsolvable because of overwhelming dimensionality. For a model to be well solvable, its special structure must be explored. Most of the solution methods are based on decomposing the data. In this paper we propose a new decomposition approach for two-stage stochastic programming, based on a direct application of the path-following method combined with the homogeneous self-dual technique. Numerical experiments show that our decomposition algorithm is very efficient for solving stochastic programs. In particular, we apply our decomposition method to a two-period portfolio selection problem using options on a stock index. In this model the investor ca...

Arjan Berkelaar; Cees Dert; Bart Oldenkamp; Shuzhong Zhang



Trends in Methanol Decomposition on Transition Metal Alloy Clusters from Scaling and BrnstedEvansPolanyi Relationships  

Science Conference Proceedings (OSTI)

A combination of ?rst principles Density Functional Theory calculations and thermochemical scaling relationships are employed to estimate the thermochemistry and kinetics of methanol decomposition on unsupported subnanometer metal clusters. The approach uses binding energies of various atomic and molecular species, determined on the pure metal clusters, to develop scaling relationships that are then further used to estimate the methanol decomposition thermodynamics for a series of pure and bimetallic clusters with four atoms per cluster. Additionally, activation energy barriers are estimated from BrnstedEvansPolanyi plots relating transition and ?nal state energies on these clusters. The energetic results are combined with a simple, microkineticallyinspired rate expression to estimate reaction rates as a function of important catalytic descriptors, including the carbon and atomic oxygen binding energies to the clusters. Based on these analyses, several alloy clusters are identi?ed as promising candidates for the methanol decomposition reaction.

Mehmood, Faisal; Rankin, Rees B.; Greeley, Jeffrey P.; Curtiss, Larry A.



Thermochemistry and Thermal Decomposition of the Chlorinated Disilanes (Si2HnCl6-n, n ) 0-6) Studied by ab Initio Molecular Orbital Methods  

E-Print Network (OSTI)

Thermochemistry and Thermal Decomposition of the Chlorinated Disilanes (Si2HnCl6-n, n ) 0 decomposition reactions of the chlorinated disilanes have been characterized using ab initio molecular orbital reaction for these compounds. Heats of formation for the chlorinated disilane reactants and chlorinated

Swihart, Mark T.


Molecular-orbital decomposition of the ionization continuum for a diatomic molecule by angle-and energy-resolved photoelectron spectroscopy.  

E-Print Network (OSTI)

Molecular-orbital decomposition of the ionization continuum for a diatomic molecule by angle and the state of the ion follow Hund's case b coupling. The formalism is based on the molecular-orbital decomposition of the ionization continuum and therefore fully incorporates the molecular nature

Zare, Richard N.


Unimolecular Thermal Decomposition of Phenol and d5-Phenol: Direct Observation of Cyclopentadiene Formation via Cyclohexadienone  

DOE Green Energy (OSTI)

The pyrolyses of phenol and d{sub 5}-phenol (C{sub 6}H{sub 5}OH and C{sub 6}D{sub 5}OH) have been studied using a high temperature, microtubular ({mu}tubular) SiC reactor. Product detection is via both photon ionization (10.487 eV) time-of-flight mass spectrometry and matrix isolation infrared spectroscopy. Gas exiting the heated reactor (375 K-1575 K) is subject to a free expansion after a residence time in the {mu}tubular reactor of approximately 50-100 {micro}s. The expansion from the reactor into vacuum rapidly cools the gas mixture and allows the detection of radicals and other highly reactive intermediates. We find that the initial decomposition steps at the onset of phenol pyrolysis are enol/keto tautomerization to form cyclohexadienone followed by decarbonylation to produce cyclopentadiene; C{sub 6}H{sub 5}OH {yields} c-C{sub 6}H{sub 6} = O {yields} c-C{sub 5}H{sub 6} + CO. The cyclopentadiene loses a H atom to generate the cyclopentadienyl radical which further decomposes to acetylene and propargyl radical; c-C{sub 5}H{sub 6} {yields} c-C{sub 5}H{sub 5} + H {yields} HC {triple_bond} CH + HCCCH{sub 2}. At higher temperatures, hydrogen loss from the PhO-H group to form phenoxy radical followed by CO ejection to generate the cyclopentadienyl radical likely contributes to the product distribution; C{sub 6}H{sub 5}O-H {yields} C{sub 6}H{sub 5}O + H {yields} c-C{sub 5}H{sub 5} + CO. The direct decarbonylation reaction remains an important channel in the thermal decomposition mechanisms of the dihydroxybenzenes. Both catechol (o-HO-C{sub 6}H{sub 4}-OH) and hydroquinone (p-HO-C{sub 6}H{sub 4}-OH) are shown to undergo decarbonylation at the onset of pyrolysis to form hydroxycyclopentadiene. In the case of catechol, we observe that water loss is also an important decomposition channel at the onset of pyrolysis.

Scheer, A. M.; Mukarakate, C.; Robichaud, D. J.; Nimlos, M. R.; Carstensen, H. H.; Barney, E. G.




SciTech Connect

The use of direct refluorinntion to recover plutonium deposited in equipment by consumption and decomposition of PuF/sub 6/ gas was the subject of a brief experimental program Measurable rates of refluorination were obtained at temperatures as low as 170 C and by means of a statistically dcsigned experiment; the approximate signficance of the three variables, temperature, fluorine pressure, and fluorine flow rate, was determined. Temperature was found to be the most significant variable, and the heat of reaction based on removal rates measured from 170 to 350 C compared favorably with reported values obtained by equilibrating PuF/sub 6/ and F2 gas mixtures. At plutonium surface concentrntions below -3 mu g/cm, the rate of refluorination was found to be proportional to the plutonium surface concentration. In no case was the surface concentration decreased below 0.08 mu g/cm2. (auth)

Robb, W.L.; Brandon, R.J.; Myers, R.L.; Galpern, H.N.


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Method for hydroperoxide decomposition using novel porphyrins synthesized from dipyrromethanes and aldehydes  

DOE Patents (OSTI)

The invention comprises a method for the oxidation of alkanes to alcohols and for decomposition of hydroperoxides to alcohols utilizing new compositions of matter, which are metal complexes of porphyrins. Preferred complexes have hydrogen, haloalkyl or haloaryl groups in meso positions, two of the opposed meso atoms or groups being hydrogen or haloaryl, and two of the opposed meso atoms or groups being hydrogen or haloalkyl, but not all four of the meso atoms or groups being hydrogen. Other preferred complexes are ones in which all four of the meso positions are substituted with haloalkyl groups and the beta positions are substituted with halogen atoms. A new method of synthesizing porphyrinogens is also disclosed.

Wijesekera, Tilak (Glen Mills, PA); Lyons, James E. (Wallingford, PA); Ellis, Jr., Paul E. (Downingtown, PA)



Method for hydroperoxide decomposition using novel porphyrins synthesized from dipyrromethanes and aldehydes  

DOE Patents (OSTI)

The invention comprises a method for the oxidation of alkanes to alcohols and for decomposition of hydroperoxides to alcohols utilizing new compositions of matter, which are metal complexes of porphyrins. Preferred complexes have hydrogen, haloalkyl or haloaryl groups in meso positions, two of the opposed meso atoms or groups being hydrogen or haloaryl, and two of the opposed meso atoms or groups being hydrogen or haloalkyl, but not all four of the meso atoms or groups being hydrogen. Other preferred complexes are ones in which all four of the meso positions are substituted with haloalkyl groups and the beta positions are substituted with halogen atoms. A new method of synthesizing porphyrinogens is also disclosed.

Wijesekera, T.; Lyons, J.E.; Ellis, P.E. Jr.



Least squares parameter estimation methods for material decomposition with energy discriminating detectors  

Science Conference Proceedings (OSTI)

Purpose: Energy resolving detectors provide more than one spectral measurement in one image acquisition. The purpose of this study is to investigate, with simulation, the ability to decompose four materials using energy discriminating detectors and least squares minimization techniques. Methods: Three least squares parameter estimation decomposition techniques were investigated for four-material breast imaging tasks in the image domain. The first technique treats the voxel as if it consisted of fractions of all the materials. The second method assumes that a voxel primarily contains one material and divides the decomposition process into segmentation and quantification tasks. The third is similar to the second method but a calibration was used. The simulated computed tomography (CT) system consisted of an 80 kVp spectrum and a CdZnTe (CZT) detector that could resolve the x-ray spectrum into five energy bins. A postmortem breast specimen was imaged with flat panel CT to provide a model for the digital phantoms. Hydroxyapatite (HA) (50, 150, 250, 350, 450, and 550 mg/ml) and iodine (4, 12, 20, 28, 36, and 44 mg/ml) contrast elements were embedded into the glandular region of the phantoms. Calibration phantoms consisted of a 30/70 glandular-to-adipose tissue ratio with embedded HA (100, 200, 300, 400, and 500 mg/ml) and iodine (5, 15, 25, 35, and 45 mg/ml). The x-ray transport process was simulated where the Beer-Lambert law, Poisson process, and CZT absorption efficiency were applied. Qualitative and quantitative evaluations of the decomposition techniques were performed and compared. The effect of breast size was also investigated. Results: The first technique decomposed iodine adequately but failed for other materials. The second method separated the materials but was unable to quantify the materials. With the addition of a calibration, the third technique provided good separation and quantification of hydroxyapatite, iodine, glandular, and adipose tissues. Quantification with this technique was accurate with errors of 9.83% and 6.61% for HA and iodine, respectively. Calibration at one point (one breast size) showed increased errors as the mismatch in breast diameters between calibration and measurement increased. A four-point calibration successfully decomposed breast diameter spanning the entire range from 8 to 20 cm. For a 14 cm breast, errors were reduced from 5.44% to 1.75% and from 6.17% to 3.27% with the multipoint calibration for HA and iodine, respectively. Conclusions: The results of the simulation study showed that a CT system based on CZT detectors in conjunction with least squares minimization technique can be used to decompose four materials. The calibrated least squares parameter estimation decomposition technique performed the best, separating and accurately quantifying the concentrations of hydroxyapatite and iodine.

Le, Huy Q.; Molloi, Sabee [Department of Radiological Sciences, University of California, Irvine, California 92697 (United States)



A Primal-Dual Decomposition Algorithm for Multistage Stochastic Convex Programming  

E-Print Network (OSTI)

This paper presents a new and high performance solution method for multistage stochastic convex programming. Stochastic programming is a quantitative tool developed in the field of optimization to cope with the problem of decision-making under uncertainty. Among others, stochastic programming has found many applications in finance, such as asset-liability and bond-portfolio management. However, many stochastic programming applications still remain computationally intractable because of their overwhelming dimensionality. In this paper we propose a new decomposition algorithm for multistage stochastic programming with a convex objective, based on the path-following interior point method combined with the homogeneous self-dual embedding technique. Our preliminary numerical experiments show that this approach is very promising in many ways for solving generic multistage stochastic programming, including its superiority in terms of numerical e#ciency, as well as the flexibility in testing and analyzing the model.

Arjan Berkelaar; Roy Kouwenberg; Shuzhong Zhang



Convergence analysis of a balalncing domain decomposition method for solving interior Helmholtz equations  

SciTech Connect

A variant of balancing domain decomposition method by constraints (BDDC) is proposed for solving a class of indefinite system of linear equations, which arises from the finite element discretization of the Helmholtz equation of time-harmonic wave propagation in a bounded interior domain. The proposed BDDC algorithm is closely related to the dual-primal finite element tearing and interconnecting algorithm for solving Helmholtz equations (FETI-DPH). Under the condition that the diameters of the subdomains are small enough, the rate of convergence is established which depends polylogarithmically on the dimension of the individual subdomain problems and which improves with the decrease of the subdomain diameters. These results are supported by numerical experiments of solving a Helmholtz equation on a two-dimensional square domain.

Li,Jing; Tu, Xuemin



High deposition rate preparation of amorphous silicon solar cells by rf glow discharge decomposition of disilane  

SciTech Connect

The optical and electrical properties of hydrogenated amorphous silicon films produced by rf glow discharge decomposition of disilane diluted in helium (Si/sub 2/H/sub 6//He = 1/9) have been studied while systematically varying the film deposition rate. The properties and composition of the films were monitored by measuring the optical band gap, IR vibrational spectrum, dark conductivity, and the photoconductivity as a function of the deposition rate. The photoluminescence of the high deposition rate films gave a peak at 1.33 eV. These films, whose properties are rather similar to those of the conventional a-Si:H films prepared from monosilane, have been used to fabricate nip-type a-Si:H solar cells. At a deposition rate of 11 A/sec, a conversion efficiency of 6.86% was obtained. This high efficiency shows that disilane is applicable for mass production fabrication of a-Si:H solar cells.

Kenne, J.; Ohashi, Y.; Matsushita, T.; Konagai, M.; Takahashi, K.



Yang-Mills Theory Constructed from ChoFaddeevNiemi Decomposition  

E-Print Network (OSTI)

We give a new way of looking at the ChoFaddeevNiemi (CFN) decomposition of the Yang-Mills theory to answer how the enlarged local gauge symmetry respected by the CFN variables is restricted to obtain another Yang-Mills theory with the same local and global gauge symmetries as the original Yang-Mills theory. This may shed new light on the fundamental issue of the discrepancy between two theories for independent degrees of freedom and the role of the Maximal Abelian gauge in Yang-Mills theory. As a byproduct, this consideration gives new insight into the meaning of the gauge invariance and the observables, e.g., a gauge-invariant mass term and vacuum condensates of mass dimension two. We point out the implications for the SkyrmeFaddeev model.

Kei-ichi Kondo; Takeharu Murakami; Toru Shinohara



Studies of Hydrogen Getter Material Self-decomposition and Reaction Capacity  

DOE Green Energy (OSTI)

Diacetylene based hydrogen getters are examined in order to gauge their self decomposition products, as well as to determine possible origins for observed losses in origins getter capacity. Simple long term (several months) thermal aging tests were conducted, with periodic solid solid-phase micro micro-extraction (SPME) sampling followed by GC/MS analysis. The results suggest that bis(diphenylethynyl) benzene tends to decompose to give phenyl contaminants more readily than diphenylbutadiyne. Transmission electron microscopy (TEM) and electron diffraction studies of the palladium catalyst following varying extents of reaction with hydrogen show that there is no change to the catalyst particles, indicating that any change in capacity originates from other causes. These causes are suggested by Sievert's-type experiments on the reaction of the getter with a low pressure (about 10 Torr) hydrogen atmosphere. The reaction data indicate that the getter capacity depends on the pressure of hydrogen to which the material is exposed, and also its thermal history.

Saab, A P; Dinh, L N



Conformal invariance and the conformal-traceless decomposition of the gravitational field  

E-Print Network (OSTI)

Einstein's theory of general relativity is written in terms of the variables obtained from a conformal--traceless decomposition of the spatial metric and extrinsic curvature. The determinant of the conformal metric is not restricted, so the action functional and equations of motion are invariant under conformal transformations. With this approach the conformal--traceless variables remain free of density weights. The conformal invariance of the equations of motion can be broken by imposing an evolution equation for the determinant of the conformal metric g. Two conditions are considered, one in which g is constant in time and one in which g is constant along the unit normal to the spacelike hypersurfaces. This approach is used to write the Baumgarte--Shapiro--Shibata--Nakamura system of evolution equations in conformally invariant form. The presentation includes a discussion of the conformal thin sandwich construction of gravitational initial data, and the conformal flatness condition as an approximation to the evolution equations.

David Brown



Application of the ReaxFF Reactive Force Field to Reactive Dynamics of Hydrocarbon Chemisorption and Decomposition  

E-Print Network (OSTI)

on nickel clusters. 1.0. Introduction Nickel is the primary catalyst in the steam reforming process1 of the adsorption and decomposition of a gas of 20-120 methane, ethyne, ethene, benzene, cyclohexane, or propene species (methane and cyclohexane), we observe an activation energy associated with dissociative

Goddard III, William A.


Optimal placement and channel assignment of relay stations in heterogeneous wireless mesh networks by modified Bender's decomposition  

Science Conference Proceedings (OSTI)

Fixed Broadband Wireless Access (FBWA) technology is designed to serve as a wireless DSL replacement to provide broadband Internet access in underserved areas where no other access technology exists. Due to the enormousness of the target service area, ... Keywords: Bender's decomposition, Fixed broadband wireless access, Mathematical programming/optimization, Placement and channel assignment, Relay stations

Aaron So; Ben Liang



A Primal-Dual Decomposition-Based Interior Point Approach to Two-Stage Stochastic Linear Programming  

Science Conference Proceedings (OSTI)

Decision making under uncertainty is a challenge faced by many decision makers. Stochastic programming is a major tool developed to deal with optimization with uncertainties which has found applications in, e.g., finance, such as asset--liability and ... Keywords: Programming, stochastic: decomposition and interior point methods

Arjan Berkelaar; Cees Dert; Bart Oldenkamp; Shuzhong Zhang



1758 J. Phys. Chem. 1992, 96, 1758-1764 Ab Initio MO Study of the Thermal Decomposition of Fluorinated Disilanes,  

E-Print Network (OSTI)

of Fluorinated Disilanes, Edgar W. Ignaciot and H. Bernhard Schlegel* Department of Chemistry, Wayne State disilane, the SiH2+ SiH, and SiH3SiH+ H2paths are favored over other modes of decomposition Fluorinated silanes and disilanes, and reactive intermediates derived from these compounds, are important

Schlegel, H. Bernhard


Nanosecond Time Resolved and Steady State Infrared Studies of Photoinduced Decomposition of TATB at Ambient and Elevated Pressures  

SciTech Connect

The timescale and/or products of photo-induced decomposition of 1,3,5-triamino-2,4,6-trinitrobenzene (TATB) were investigated at ambient pressure and compared with products formed at elevated pressure (i.e. 8 GPa). Ultrafast time-resolved infrared and steady state Fourier transform IR (FTIR) spectroscopies were used to probe TATB and its products after photoexcitation with a 5 ns pulse of 532 nm light. At ambient pressure, transient spectra of TATB indicate that the molecule has significantly decomposed within 60 ns; transient spectra also indicate that formation of CO{sub 2}, an observed decomposition product, is complete within 30-40 s. Proof of principle time resolved experiments at elevated pressures were performed and are discussed briefly. Comparison of steady-state FTIR spectra obtained at ambient and elevated pressure (ca. 8 GPa) indicate that the decomposition products vary with pressure. We find evidence for water as a decomposition product only at elevated pressure.

Glascoe, E A; Zaug, J M; Armstrong, M R; Crowhurst, J C; Grant, C D; Fried, L E



Effect of charged and excited states on the decomposition of 1,1-diamino-2,2-dinitroethylene molecules  

SciTech Connect

The authors have calculated the electronic structure of individual 1,1-diamino-2,2-dinitroethylene molecules (FOX-7) in the gas phase by means of density functional theory with the hybrid B3LYP functional and 6-31+G(d,p) basis set and considered their dissociation pathways. Positively and negatively charged states as well as the lowest excited states of the molecule were simulated. They found that charging and excitation can not only reduce the activation barriers for decomposition reactions but also change the dominating chemistry from endo- to exothermic type. In particular, they found that there are two competing primary initiation mechanisms of FOX-7 decomposition: C-NO{sub 2} bond fission and C-NO{sub 2} to CONO isomerization. Electronic excitation or charging of FOX-7 disfavors CONO formation and, thus, terminates this channel of decomposition. However, if CONO is formed from the neutral FOX-7 molecule, charge trapping and/or excitation results in spontaneous splitting of an NO group accompanied by the energy release. Intramolecular hydrogen transfer is found to be a rare event in FOX-7 unless free electrons are available in the vicinity of the molecule, in which case HONO formation is a feasible exothermic reaction with a relatively low energy barrier. The effect of charged and excited states on other possible reactions is also studied. Implications of the obtained results to FOX-7 decomposition in condensed state are discussed.

Kimmel, Anna V.; Sushko, Peter V.; Shluger, Alexander L.; Kuklja, Maija M. [Department of Physics, University of Nevada, Las Vegas, Nevada 89154 and Department of Physics and Astronomy, University College London, London WC1E 6BT (United Kingdom); Department of Physics and Astronomy, University College London, London WC1E 6BT (United Kingdom); Department of Physics, University of Nevada, Las Vegas, Nevada 89154 (United States); Division of Materials Research, National Science Foundation, Arlington, Virginia 22203 (United States)



Understanding of Ethanol Decomposition on Rh(111) From Density Functional Theory and Kinetic Monte Carlo Simulations  

DOE Green Energy (OSTI)

Reaction mechanisms of ethanol decomposition on Rh(1 1 1) were elucidated by means of periodic density functional theory (DFT) calculations and kinetic Monte Carlo (KMC) simulations. We propose that the most probable reaction pathway is via CH{sub 3}CH{sub 2}O* on the basis of our mechanistic study: CH{sub 3}CH{sub 2}OH* {yields} CH{sub 3}CH{sub 2}O* {yields} CH{sub 2}CH{sub 2}O* {yields} CH{sub 2}CHO* {yields} CH{sub 2}CO* {yields} CHCO* {yields} CH* + CO* {yields} C* + CO*. In contrast, the contribution from the pathway via CH{sub 3}CHOH* is relatively small, CH{sub 3}CH{sub 2}OH* {yields} CH{sub 3}CHOH* {yields} CH{sub 3}CHO* {yields} CH{sub 3}CO* {yields} CH{sub 2}CO* {yields} CHCO* {yields} CH* + CO* {yields} C* + CO*. According to our calculations, one of the slow steps is the formation of the oxametallacycle CH{sub 2}CH{sub 2}O* species, which leads to the production of CHCO*, the precursor for C-C bond breaking. Finally, the decomposition of ethanol leads to the production of C and CO. Our calculations, for ethanol combustion on Rh, the major obstacle is not C-C bond cleavage, but the C contamination on Rh(1 1 1). The strong C-Rh interaction may deactivate the Rh catalyst. The formation of Rh alloys with Pt and Pd weakens the C-Rh interaction, easing the removal of C, and, as expected, in accordance with the experimental findings, facilitating ethanol combustion.

Liu, P.; Choi, Y.M.



Recovery and evaluation of the solid products produced by thermocatalytic decomposition of tire rubber compounds  

E-Print Network (OSTI)

A thermal catalytic decomposition process has been developed to recycle used tire rubber. This process enables the recovery of useful products, such as hydrocarbons and carbon blacks. During the catalytic decomposition process, the tire rubber is decomposed into smaller hydrocarbons, which are collected in the process. The solid reaction residue, which normally consists of carbon black, catalysts, other inorganic rubber compound components, and organic carbonaceous deposits, was subjected to a series of treatments with the intention to recover the valuable carbon black and catalyst. The process economics depend strongly on the commercial value of the recovered carbon black and the ability to recover and recycle the catalysts used in the process. Some of the important properties of the recovered carbon black product have been characterized and compared with that of commercial-grade carbon blacks. The composition of the recovered carbon black was analyzed by TGA and EDX, the structure and morphology were studied through transmission electron microscopy (TEM), and the specific surface area was measured by BET nitrogen adsorption. The recovered products possess qualities at least comparable to (or even better than) that of the commercial-grade carbon black N660. Methods for increasing the market value of this recovered carbon black product are discussed. Anhydrous aluminum chloride (AlCl3) was used as the primary catalyst in the process. A catalyst recovery method based on the AlCl3 sublimation and recondensation was studied and found to be non-feasible. It is believed that the catalyst forms an organometallic complex with the decomposed hydrocarbons, such that it becomes chemically bonded to the residue material and hence not removable by evaporation. A scheme for the further study of the catalyst recovery is suggested.

Liang, Lan



Comparison of sugar molecule decomposition through glucose and fructose: a high-level quantum chemical study.  

Science Conference Proceedings (OSTI)

Efficient chemical conversion of biomass is essential to produce sustainable energy and industrial chemicals. Industrial level conversion of glucose to useful chemicals, such as furfural, hydroxymethylfurfural, and levulinic acid, is a major step in the biomass conversion but is difficult because of the formation of undesired products and side reactions. To understand the molecular level reaction mechanisms involved in the decomposition of glucose and fructose, we have carried out high-level quantum chemical calculations [Gaussian-4 (G4) theory]. Selective 1,2-dehydration, keto-enol tautomerization, isomerization, retro-aldol condensation, and hydride shifts of glucose and fructose molecules were investigated. Detailed kinetic and thermodynamic analyses indicate that, for acyclic glucose and fructose molecules, the dehydration and isomerization require larger activation barriers compared to the retro-aldol reaction at 298 K in neutral medium. The retro-aldol reaction results in the formation of C2 and C4 species from glucose and C3 species from fructose. The formation of the most stable C3 species, dihydroxyacetone from fructose, is thermodynamically downhill. The 1,3-hydride shift leads to the cleavage of the C-C bond in the acyclic species; however, the enthalpy of activation is significantly higher (50-55 kcal/mol) than that of the retro-aldol reaction (38 kcal/mol) mainly because of the sterically hindered distorted four-membered transition state compared to the hexa-membered transition state in the retro-aldol reaction. Both tautomerization and dehydration are catalyzed by a water molecule in aqueous medium; however, water has little effect on the retro-aldol reaction. Isomerization of glucose to fructose and glyceraldehyde to dihydroxyacetone proceeds through hydride shifts that require an activation enthalpy of about 40 kcal/mol at 298 K in water medium. This investigation maps out accurate energetics of the decomposition of glucose and fructose molecules that is needed to help find more efficient catalysts for the conversion of hexose to useful chemicals.

Assary, R. S.; Curtiss, L. A. (Center for Nanoscale Materials); ( MSD); (Northwestern Univ.)



Thermal Decomposition Characteristics of Orthorhombic Ammonium Perchlorate (o-AP) and an 0-AP/HTPB-Based Propellant  

DOE Green Energy (OSTI)

A study to characterize the low-temperature reactive processes for o-AP and an AP/HTPB-based propellant (class 1.3) is being conducted in the laboratory using the techniques of simultaneous thermogravimetric modulated beam mass spectrometry (STMBMS) and scanning electron microscopy (SEM). The results presented in this paper are a follow up of the previous work that showed the overall decomposition to be complex and controlled by both physical and chemical processes. The decomposition is characterized by the occurrence of one major event that consumes up to {approx}35% of the AP, depending upon particle size, and leaves behind a porous agglomerate of AP. The major gaseous products released during this event include H{sub 2}O, O{sub 2}, Cl{sub 2}, N{sub 2}O and HCl. The recent efforts provide further insight into the decomposition processes for o-AP. The temporal behaviors of the gas formation rates (GFRs) for the products indicate that the major decomposition event consists of three chemical channels. The first and third channels are affected by the pressure in the reaction cell and occur at the surface or in the gas phase above the surface of the AP particles. The second channel is not affected by pressure and accounts for the solid-phase reactions characteristic of o-AP. The third channel involves the interactions of the decomposition products with the surface of the AP. SEM images of partially decomposed o-AP provide insight to how the morphology changes as the decomposition progresses. A conceptual model has been developed, based upon the STMBMS and SEM results, that provides a basic description of the processes. The thermal decomposition characteristics of the propellant are evaluated from the identities of the products and the temporal behaviors of their GFRs. First, the volatile components in the propellant evolve from the propellant as it is heated. Second, the hot AP (and HClO{sub 4}) at the AP-binder interface oxidize the binder through reactions that preferentially strip the hydrogen from the binder and yield HCl and H{sub 2}O with some oxidation of the carbon from the binder. Third, the o-AP in the propellant decomposes in the same manner as in neat o-AP. Finally, AP-derived gaseous products interact with other ingredients in the propellant.




Catalytic Activity of Supported Metal Particles for Sulfuric Acid Decomposition Reaction  

DOE Green Energy (OSTI)

Production of hydrogen by splitting water in thermochemical water-splitting cycles, such as the sulfur-based group that employs the catalytic decomposition of sulfuric acid into SO2 and O2 is of considerable interest. Most of these processes occur at high temperatures (T = 1,000 K) and exposes catalysts to the extreme conditions such as steam, oxygen, and acid vapor that severely damage these catalysts within a short time. To develop an understanding of the factors that cause catalyst deactivation, we performed density-functional-theory (DFT)-based first-principles calculations and computer simulations for transition metal (TM) particles positioned on the two types of substrate (?-alumina and TiO2-rutile). The catalytic activity of the considered systems is defined by several factors, namely: (i) The efficiency of detaching oxygen atoms from the sulfur-containing species SOn (n = 1,2,3). The breaking of the S-O bonds may occur at both the substrate and the transition metal cluster. However, the bond-breaking at the substrate is endothermic (and takes about 1.5 eV per bond) while at low-coordinated metal atom of a cluster it is exothermic (with energy gain of about 0.5 eV per bond). This explains why the presence of transition metal clusters is necessary for catalytic activity; (ii) The ability of the cluster to clean itself, i.e., to eliminate oxygen from its surface, in order to regain the catalytically active sites and to continue the process. We found that the clusters of Pd and Pt with the size = 2-3 nm are more efficient in this process (at T = 1,000 K) than the clusters of other TMs considered (Rh, Ir, Ru, and Os); (iii) The ability of the cluster to keep its size to avoid sintering (that reduces the number of low-coordinated catalytically active sites at the surface of the cluster). We found that the sintering of Rh, Ir, Ru, and Os clusters is significantly suppressed in comparison with the sintering of Pd and Pt clusters of the same size (the individual atoms at the surface of Rh and Ir clusters have a tendency to have higher coordination number, i.e., the detachment of individual atoms from the surface is less likely). Therefore, the activity of TM nanoparticles is mainly defined by the competing factors (ii) and (iii). At the present, we try to find (experimentally and theoretically) the most optimal combination of the structure, size, and composition of TM nanoparticles, for which the catalytic activity of sulfuric acid decomposition will be the highest.

Sergey N. Rashkeev; Daniel M. Ginosar; Lucia M. Petkovic; Helen H. Farrell


Note: This page contains sample records for the topic "ther mal decomposition" from the National Library of EnergyBeta (NLEBeta).
While these samples are representative of the content of NLEBeta,
they are not comprehensive nor are they the most current set.
We encourage you to perform a real-time search of NLEBeta
to obtain the most current and comprehensive results.


Simultaneous Formation of Surface Ripples and Metallic Nanodots Induced by Phase Decomposition and Focused Ion Beam Patterning  

Science Conference Proceedings (OSTI)

We report the simultaneous formation of self-assembled surface ripples in Cd{sub 2}Nb{sub 2}O{sub 7} pyrochlore caused by focused ion beam (FIB) patterning and uniformly distributed metallic nanodots induced by phase decomposition under ion bombardment. The characteristic wavelength of the surface ripples is controllable from the nm to the sub-{micro}m scale. High-density Cd metallic nanoparticles, {approx} 5 nm, formed and the distribution of nanoparticles is consistent with the morphological characteristics of the ripple pattern. This approach provides a means of fabricating surface nanostructure with various patterns and a controllable particle size and distribution by combining ion beam-induced phase decomposition with high-precision FIB patterning.

Lian, Jie [University of Michigan; Zhou, Wei [Nanyang Technological University; Wei, Q.M. [University of Michigan; Wang, L. M. [University of Michigan; Boatner, Lynn A [ORNL; Ewing, Rodney C. [University of Michigan



Thermochemical processes for hydrogen production by water decomposition. Progress report, April 1--December 31, 1975  

DOE Green Energy (OSTI)

The interest in hydrogen as a chemical feedstock and as a possible non-polluting fuel has continued to be high, affected by recent estimates of 1980 prices for imported natural gas in the range of $3.00/MM Btu. Our exhaustive survey of multi-step thermochemical and hybrid cycles concluded that the most promising prospects to date are (1) a modification of Abraham's ANL-4 cycle, and (2) the Rohm and Haas multi-reaction, single reactor cycle. Both sequences utilize iodine-based oxidation-reduction chemistry and each ultimately produces hydrogen via an iodide vapor decomposition, in the first case from NH/sub 4/I, in the second from HI. Process feasibility depends on demonstration of separation steps of relatively low energy requirements. Further research is proposed along four lines: (1) modeling and computation focusing on selectivity in gas-solid reactions, (2) experimental studies of solids flow and mixing, as well as mass transfer and chemical reaction in rotating and/or oscillating kiln reactors, (3) kinetics of the crucial reactions in the ANL-4 and Rohm and Haas cycles, and gas separations associated with these processes, and (4) flow sheet evaluations and preliminary economics.

Perlmutter, D.D.; Myers, A.L.



Pressure-induced Structural Transitions and Phase Decomposition in Cd2Nb2O7 Pyrochlore  

Science Conference Proceedings (OSTI)

The structural transitions of the pyrochlore, Cd{sub 2}Nb{sub 2}O{sub 7}, at pressures up to 32.5 GPa have been investigated by in situ Raman scattering and angle-dispersive x-ray diffraction (ADXRD) methods. The x-ray diffraction results reveal that small amounts ({approx}7%) of metallic cadmium form by chemical decomposition at pressures greater than 4 GPa. Both Raman and XRD results indicate that a pressure-induced structural distortion from pyrochlore to defect fluorite occurs in pyrochlore Cd{sub 2}Nb{sub 2}O{sub 7} at pressures of 12-14 GPa. Subsequently, a new high-pressure phase formed and the phase transition was complete at {approx}27 GPa. The high-pressure phase is either monoclinic or orthorhombic and transforms to either the pyrochlore (or defect fluorite) structure or the amorphous state when quenched to ambient conditions. Energy dispersive spectroscopy (EDS) analysis and high-resolution transmission electron microscopy (HRTEM) observation of the quenched sample confirmed the Cd loss and resulting mixture of ordered pyrochlore, defect fluorite, high-pressure phase, as well as amorphous domains.

Zhang, F. X. [University of Michigan; Lian, Jie [University of Michigan; Becker, U. [University of Michigan; Ewing, Rodney C. [University of Michigan; Wang, L. M. [University of Michigan; Boatner, Lynn A [ORNL; Hu, Jingzhu [National Synchrotron Light Source (NSLS); Saxena, S. [Florida International University, Miami



Demonstration of base catalyzed decomposition process, Navy Public Works Center, Guam, Mariana Islands  

Science Conference Proceedings (OSTI)

Base Catalyzed Decomposition (BCD) is a chemical dehalogenation process designed for treating soils and other substrate contaminated with polychlorinated biphenyls (PCB), pesticides, dioxins, furans, and other hazardous organic substances. PCBs are heavy organic liquids once widely used in industry as lubricants, heat transfer oils, and transformer dielectric fluids. In 1976, production was banned when PCBs were recognized as carcinogenic substances. It was estimated that significant quantities (one billion tons) of U.S. soils, including areas on U.S. military bases outside the country, were contaminated by PCB leaks and spills, and cleanup activities began. The BCD technology was developed in response to these activities. This report details the evolution of the process, from inception to deployment in Guam, and describes the process and system components provided to the Navy to meet the remediation requirements. The report is divided into several sections to cover the range of development and demonstration activities. Section 2.0 gives an overview of the project history. Section 3.0 describes the process chemistry and remediation steps involved. Section 4.0 provides a detailed description of each component and specific development activities. Section 5.0 details the testing and deployment operations and provides the results of the individual demonstration campaigns. Section 6.0 gives an economic assessment of the process. Section 7.0 presents the conclusions and recommendations form this project. The appendices contain equipment and instrument lists, equipment drawings, and detailed run and analytical data.

Schmidt, A.J.; Freeman, H.D.; Brown, M.D.; Zacher, A.H.; Neuenschwander, G.N.; Wilcox, W.A.; Gano, S.R. [Pacific Northwest National Lab., Richland, WA (United States)] [Pacific Northwest National Lab., Richland, WA (United States); Kim, B.C.; Gavaskar, A.R. [Battelle Columbus Div., OH (United States)] [Battelle Columbus Div., OH (United States)



Thermochemical cycles for energy storage: Thermal decomposition of ZnCO sub 4 systems  

DOE Green Energy (OSTI)

The overall objective of our research has been to develop thermochemical cycles that can be used for energy storage. A specific cycle involving ammonium hydrogen sulfate (NH{sub 4}HSO{sub 4}) has been proposed. Each reaction in the proposed cycle has been examined experimentally. Emphasis has been placed on the basic chemistry of these reactions. In the concluding phase of this research, reported herein, we have shown that when NH{sub 4}HSO{sub 4} is mixed with ZnO and decomposed, the resulting products can be released stepwise (H{sub 2}A{sub (g)} at {approximately}163{degrees}C, NH{sub 3(g)} at 365--418{degrees}C, and a mixture of SO{sub 2(g)} and SO{sub 3(g)} at {approximately}900{degrees}C) and separated by controlling the reaction temperature. Side reactions do not appear to be significant and the respective yields are high as would be required for the successful use of this energy storage reaction in the proposed cycle. Thermodynamic, kinetic, and other reaction parameters have been measured for the various steps of the reaction. Finally we have completed a detailed investigation of one particular reaction: the thermal decomposition of zinc sulfate (ZnSO{sub 4}). We have demonstrated that this reaction can be accelerated and the temperature required reduced by the addition of excess ZnO, V{sub 2}A{sub 5} and possibly other metal oxides.

Wentworth, W.E. (Houston Univ., TX (United States))



Rectification of the chordal axis transform and a new criterion for shape decomposition.  

SciTech Connect

In an earlier work we proposed the chordal axis transform (CAT) as a more useful alternative to the medial axis transform (MAT) for obtaining skeletons of discrete shapes. Since then, the CAT has benefited various applications in 2D and 3D shape analysis. In this paper, we revisit the CAT to address its deficiencies that are an artifact of the underlying constrained Delaunay triangulation (CDT). We introduce a valuation on the internal edges of a discrete shape's CDT based on a concept of approximate co-circularity. This valuation provides a basis for suppression of the role of certain edges in the construction of the CAT skeleton. The result is a rectified CAT skeleton that has smoother branches as well as branch points of varying degrees, unlike the original CAT skeleton whose branches exhibit oscillations in tapered sections of shapes and allows only degree 3 branch points. Additionally, the valuation leads to a new criterion for parsing shapes into visually salient parts that closely resemble the empirical decompositions of shapes by human subjects as recorded in experiments by M. Singh, G. Seyranian, and D. Hoffinan.

Prasad, Lakshman



High-Temperature Decomposition of Brnsted Acid Sites in Gallium-Substituted Zeolites  

SciTech Connect

The dehydroxylation of Broensted acid sites (BAS) in Ga-substituted zeolites was investigated at temperatures up to 850 C using X-ray absorption spectroscopy (XAS), Fourier transform infrared spectroscopy (FTIR), and mass spectrometry-temperature programmed desorption (MS-TPD). X-ray absorption near-edge spectroscopy (XANES) revealed that the majority of gallium has tetrahedral coordination even after complete dehydroxylation. The interatomic gallium-oxygen distance and gallium coordination number determined by extended X-ray absorption fine structure (EXAFS) are consistent with gallium in tetrahedral coordination at low T (< 550 C). Upon heating Ga-Beta and Ga-ZSM5 to 850 C, analysis of the EXAFS showed that 70 and 80% of the gallium was still in tetrahedral coordination. The remainder of the gallium was found to be in octahedral coordination. No trigonal Ga atoms were observed. FTIR measurements carried out at similar temperatures show that the intensity of the OH vibration due to BAS has been eliminated. MS-TPD revealed that hydrogen in addition to water evolved from the samples during dehydroxylation. This shows that dehydrogenation in addition to dehydration is a mechanism that contributes to BAS decomposition. Dehydrogenation was further confirmed by exposing the sample to hydrogen to regenerate some of the BAS as monitored by FTIR and MS-TPD.

K Al-majnouni; N Hould; W Lonergan; D Vlachos; R Lobo



Economic comparison of hydrogen production using sulfuric acid electrolysis and sulfur cycle water decomposition. Final report  

SciTech Connect

An evaluation of the relative economics of hydrogen production using two advanced techniques was performed. The hydrogen production systems considered were the Westinghouse Sulfur Cycle Water Decomposition System and a water electrolysis system employing a sulfuric acid electrolyte. The former is a hybrid system in which hydrogen is produced in an electrolyzer which uses sulfur dioxide to depolarize the anode. The electrolyte is sulfuric acid. Development and demonstration efforts have shown that extremely low cell voltages can be achieved. The second system uses a similar sulfuric acid electrolyte technology in water electrolysis cells. The comparative technoeconomics of hydrogen produced by the hybrid Sulfur Cycle and by water electrolysis using a sulfuric acid electrolyte were determined by assessing the performance and economics of 380 million SCFD plants, each energized by a very high temperature nuclear reactor (VHTR). The evaluation concluded that the overall efficiencies of hydrogen production, for operating parameters that appear reasonable for both systems, are approximately 41% for the sulfuric acid electrolysis and 47% for the hybrid Sulfur Cycle. The economic evaluation of hydrogen production, based on a 1976 cost basis and assuming a developed technology for both hydrogen production systems and the VHTRs, indicated that the hybrid Sulfur Cycle could generate hydrogen for a total cost approximately 6 to 7% less than the cost from the sulfuric acid electrolysis plant.

Farbman, G.H.; Krasicki, B.R.; Hardman, C.C.; Lin, S.S.; Parker, G.H.



Reduced-order model for electrical impedance tomography based on proper orthogonal decomposition  

E-Print Network (OSTI)

Electrical impedance tomography (EIT) is an imaging modality in which the conductivity distribution inside a target is reconstructed based on voltage measurements from the surface of the target. Reconstructing the conductivity distribution is known to be an ill-posed inverse problem, the solutions of which are highly intolerant to modelling errors. In order to achieve sufficient accuracy, very dense meshes are usually needed in a finite element approximation of the EIT forward model. This leads to very high-dimensional problems and often unacceptably tedious computations for real-time applications. In this paper, the model reduction in EIT is considered within the Bayesian inversion framework. We construct the reduced-order model by proper orthogonal decompositions (POD) of the electrical conductivity and the potential distributions. The associated POD modes are computed based on a priori information on the conductivity. The feasibility of the reduced-order model is tested both numerically and with experimental data. In the selected test cases, the proposed model reduction approach speeds up the computation by more than two orders of magnitude in comparison with the conventional EIT reconstruction, without decreasing the quality of the reconstructed images significantly.

Antti Lipponen; Aku Seppnen; Jari Kaipio



MELCOR-H2 Benchmarking of the SNL Transient Sulfuric Acid Decomposition Experiments  

SciTech Connect

MELCOR is a world-renowned nuclear reactor safety analysis code that is used to simulate both light water and gas-cooled reactors. MELCOR-H2 is an extension of MELCOR that can model detailed nuclear reactors that are fully coupled with modular secondary-system components and the sulfur iodine (SI) thermochemical cycle for the generation of hydrogen and electricity. The models are applicable to both steady state and transient calculations. Previous work has shown that the hydrogen generation rate calculated by MELCOR-H2 for the SI cycle was within the expected theoretical yield, thus providing a macroscopic confirmation that MELCOR-H2's computational approach is reasonable. However, in order to better quantify its adequacy, benchmarking of the code with experimental data is required. Sulfuric acid decomposition experiments were conducted during late 2006 at Sandia National Laboratories, and MELCOR-H2 was used to simulate them. We developed an input deck based on the experiment's geometry, as well as the initial and boundary conditions, and then proceeded to compare the experimental acid conversion efficiency and SO{sub 2} production data with the code output. The comparison showed that the simulation output was typically within less than 10% of experimental data, and that key experimental data trends such as acid conversion efficiency, molar acid flow rate, and solution mole % were computed adequately by the MELCOR-H2. (authors)

Rodriguez, Sal B.; Gauntt, Randall O.; Gelbard, Fred; Pickard, Paul; Cole, Randy; McFadden, Katherine; Drennen, Tom; Martin, Billy [Sandia National Laboratories, P.O. Box 5800, MS 0748, Albuquerque, NM 87185-0748 (United States); Louie, David; Archuleta, Louis [OMICRON Safety and Risk (United States); Revankar, Shripad T. [Purdue University (United States); Vierow, Karen [University of Texas A and M (United States); El-Genk, Mohamed; Tournier, Jean Michel [University of New Mexico (United States)



Succession of Phylogeny and Function During Plant Litter Decomposition (2013 DOE JGI Genomics of Energy and Environment 8th Annual User Meeting)  

SciTech Connect

Eoin Brodie of Berkeley Lab on "Succession of phylogeny and function during plant litter decomposition" at the 8th Annual Genomics of Energy & Environment Meeting on March 27, 2013 in Walnut Creek, Calif.

Brodie, Eoin [Berkeley Lab



Formation of nanocrystalline h-AlN during mechanochemical decomposition of melamine in the presence of metallic aluminum  

Science Conference Proceedings (OSTI)

Decomposition of melamine was studied by solid state reaction of melamine and aluminum powders during high energy ball-milling. The milling procedure performed for both pure melamine and melamine/Al mixed powders as the starting materials for various times up to 48 h under ambient atmosphere. The products were characterized by X-ray diffraction (XRD) and Fourier transform infrared spectroscopy (FTIR). The results revealed that Al causes melamine deammoniation at the first stages of milling and further milling process leads to the s-triazine ring degradation while nano-crystallite hexagonal aluminum nitride (h-AlN) was the main solid product. Comparison to milling process, the possibility of the reaction of melamine with Al was also investigated by thermal treatment method using differential scanning calorimeter (DSC) and thermo gravimetric analyzer (TGA). Melamine decomposition occurred by thermal treatment in the range of 270-370 Degree-Sign C, but no reaction between melamine and aluminum was observed. - Graphical Abstract: Mechanochemical reaction of melamine with Al resulted in the formation of nanocrystalline AlN after 7 h milling time Highlights: Black-Right-Pointing-Pointer High energy ball milling of melamine and aluminum results decomposition of melamine with elimination of ammonia. Black-Right-Pointing-Pointer Nano-crystalline AlN was synthesized by the mechanochemical route. Black-Right-Pointing-Pointer Milling process has no conspicuous effect on pure melamine degradation. Black-Right-Pointing-Pointer No reaction takes place by heating melamine and aluminum powder mixture in argon.

Rounaghi, S.A., E-mail: s.a.rounaghi@gmail.com [Department of Materials Engineering, Ferdowsi University of Mashhad, P.O. Box No. 91775-1111, Mashhad (Iran, Islamic Republic of); Kiani Rashid, A.R. [Department of Materials Engineering, Ferdowsi University of Mashhad, P.O. Box No. 91775-1111, Mashhad (Iran, Islamic Republic of); Eshghi, H., E-mail: heshghi@ferdowsi.um.ac.ir [Department of Chemistry, Ferdowsi University of Mashhad, P.O. Box No. 91775-1436, Mashhad (Iran, Islamic Republic of); Vahdati Khaki, J. [Department of Materials Engineering, Ferdowsi University of Mashhad, P.O. Box No. 91775-1111, Mashhad (Iran, Islamic Republic of)



Computational fluid dynamics study on the decomposition of ammonia in a selective porous membrane - article no. 42  

SciTech Connect

The development of alternative technologies for the removal of gas pollutants is an important aspect for the environmental friendliness of energy production. During coal gasification, N{sub 2} contained in coal is converted to NH{sub 3} and, as much as 50% of the ammonia in the fuel gas can be converted to nitrogen oxides (NOx). At these conditions, decomposition seems to be the only applicable solution for the removal of NH{sub 3}. The application of a high temperature catalytic membrane reactor process appears to offer an efficient and cost effective method of removing the NH{sub 3} from coal gasification gas streams. The present work examines the operation of such a selective membrane, used for the decomposition of NH{sub 3}, under a 2-D axissymetric CFD approach where the flow field, the chemical reactions and the selective porous membrane behavior are being modeled and computed. The main target of this effort was to obtain a more detailed view of the flow field and to investigate the decomposition of ammonia in comparison with a simpler 1-D modeling approach and, thus, to evaluate the advantages and disadvantages of each method.

Athanasios Sideridis; Dimitrios Koutsonikolas; Dimitrios Missirlis [Aristotle University of Thessaloniki (Greece)



Density Functional Theory Study of Methanol Decomposition on the CeO2(110) Surface  

Science Conference Proceedings (OSTI)

Methanol decomposition on the stoichiometric CeO2(110) surface has been investigated using density functional theory slab calculations. Three possible initial steps to decompose methanol by breaking one of three bonds (O?H, C?O and C?H) of methanol were examined. The relative order of thermodynamic stability for the three possible bond scission steps is: C?H > O?H > C?O. We further isolated transition state and determined activation energy for each bond-breaking mode using the nudged elastic method. The activation barrier for the most favorable dissociation mode, the O?H bond scission, is 0.3 eV on the (110) surface. An even lower activation barrier ( C?O > C?H. Our results are consistent with the previous experimental observation that methoxy is the dominant surface species after a stoichiometric CeO2 surface was exposed to methanol. The experimentally observed methanol chemistry was determined by the kinetics of initial dissociation steps rather than the thermodynamic stability of product states. Surface coverage of methanol was found to affect the relative stability between molecular and dissociative adsorption modes. Dissociative adsorption modes are preferred thermodynamically for methanol coverage up to 0.5 ML but only molecular adsorption was stable at full monolayer coverage. This work was supported by a Laboratory Directed Research and Development (LDRD) project of the Pacific Northwest National Laboratory (PNNL). The computations were performed using the Molecular Science Computing Facility in the William R. Wiley Environmental Molecular Sciences Laboratory (EMSL), which is a U.S. Department of Energy national scientific user facility located at PNNL in Richland, Washington. Computing time was made under a Computational Grand Challenge Computational Catalysis. Part of the computing time was also granted by the National Energy Research Scientific Computing Center (NERSC).

Mei, Donghai; Deskins, N. Aaron; Dupuis, Michel; Ge, Qingfeng



Composition and decomposition of soybean and sorghum tissues grown under elevated atmospheric carbon dioxide  

Science Conference Proceedings (OSTI)

It has been hypothesized that changes in both quantity and quality of plant residue inputs to soils as atmospheric carbon dioxide (CO{sub 2}) concentration increases may alter carbon (C) and nitrogen (N) turnover rates and pool sizes. We determined the effect of elevated atmospheric CO{sub 2} on plant tissue quality, and how modifications in tissue quality affect C and N mineralization. Soybean and sorghum were grown under elevated (704.96 {plus_minus} 0.33 {mu}mol CO{sub 2} mol{sup {minus}1}) and ambient (357.44 {plus_minus} 0.12 {mu}mol CO{sub 2} mol{sup {minus}1}) atmospheric CO{sub 2} in open-top chambers. Leaf and stem tissues were separated form harvested plants and analyzed for C,N, lignin, and cellulose. Tissues were applied to Norfolk loamy sand (fine-loamy, siliceous, thermic Typic Kandiudult) and aerobically incubated for 70-d to determine C and N mineralization, C turnover, relative N mineralization, and C/N mineralized. Elevated CO{sub 2} had no effect on plant residue C concentration, but N concentration of soybean leaves and stems and sorghum stems was reduced; however, CO{sub 2} enrichment increased C/N ratio and lignin concentration for only sorghum stems and soybean leaves, respectively. Source of plant residue (i.e., produced under either elevated or ambient CO{sub 2}) had no impact on soil C turnover, relative N mineralization, cumulative C and N mineralization, and C/N mineralized. These data suggest that increasing atmospheric CO{sub 2} will have little effect on composition or decomposition of field crop residues. Thus, since CO{sub 2} enrichment results in increased photosynthetic C fixation, the possibility exists for increased soil C storage under field crops in an elevated CO{sub 2} world. 29 refs., 4 figs., 4 tabs.

Henning, F.P. [Cooperative Ext. Serv., Dunwoody, GA (United States); Wood, C.W. [Auburn Univ., AL (United States); Rogers, H.H.; Runion, G.B.; Prior, S.A. [National Soil Dynamics Lab., Auburn, AL (United States)



Development of microbial-enzyme-mediated decomposition model parameters through steady-state and dynamic analyses  

Science Conference Proceedings (OSTI)

We developed a Microbial-ENzyme-mediated Decomposition (MEND) model, based on the Michaelis-Menten kinetics, that describes the dynamics of physically defined pools of soil organic matter (SOC). These include particulate, mineral-associated, dissolved organic matter (POC, MOC, and DOC, respectively), microbial biomass, and associated exoenzymes. The ranges and/or distributions of parameters were determined by both analytical steady-state and dynamic analyses with SOC data from the literature. We used an improved multi-objective parameter sensitivity analysis (MOPSA) to identify the most important parameters for the full model: maintenance of microbial biomass, turnover and synthesis of enzymes, and carbon use efficiency (CUE). The model predicted an increase of 2 C (baseline temperature =12 C) caused the pools of POC-Cellulose, MOC, and total SOC to increase with dynamic CUE and decrease with constant CUE, as indicated by the 50% confidence intervals. Regardless of dynamic or constant CUE, the pool sizes of POC, MOC, and total SOC varied from 8% to 8% under +2 C. The scenario analysis using a single parameter set indicates that higher temperature with dynamic CUE might result in greater net increases in both POC-Cellulose and MOC pools. Different dynamics of various SOC pools reflected the catalytic functions of specific enzymes targeting specific substrates and the interactions between microbes, enzymes, and SOC. With the feasible parameter values estimated in this study, models incorporating fundamental principles of microbial-enzyme dynamics can lead to simulation results qualitatively different from traditional models with fast/slow/passive pools.

Wang, Gangsheng [ORNL; Post, Wilfred M [ORNL; Mayes, Melanie [ORNL



Potential net soil N mineralization and decomposition of glycine-13C in forest soils along an elevation gradient  

SciTech Connect

The objective of this research was to better understand patterns of soil nitrogen (N) availability and soil organic matter (SOM) decomposition in forest soils across an elevation gradient (235-1670 m) in the southern Appalachian Mountains. Laboratory studies were used to determine the potential rate of net soil N mineralization and in situ studies of {sup 13}C-labelled glycine were used to infer differences in decomposition rates. Nitrogen stocks, surface soil (0-5 cm) N concentrations, and the pool of potentially mineralizable surface soil N tended to increase from low to high elevations. Rates of potential net soil N mineralization were not significantly correlated with elevation. Increasing soil N availability with elevation is primarily due to greater soil N stocks and lower substrate C-to-N ratios, rather than differences in potential net soil N mineralization rates. The loss rate of {sup 13}C from labelled soils (0-20 cm) was inversely related to study site elevation (r = -0.85; P < 0.05) and directly related to mean annual temperature (+0.86; P<0.05). The results indicated different patterns of potential net soil N mineralization and {sup 13}C loss along the elevation gradient. The different patterns can be explained within a framework of climate, substrate chemistry, and coupled soil C and N stocks. Although less SOM decomposition is indicated at cool, high-elevation sites, low substrate C-to-N ratios in these N-rich systems result in more N release (N mineralization) for each unit of C converted to CO{sub 2} by soil microorganisms.

Garten Jr, Charles T [ORNL




DOE Green Energy (OSTI)

A recuperative bayonet reactor design for the high-temperature sulfuric acid decomposition step in sulfur-based thermochemical hydrogen cycles was evaluated using pinch analysis in conjunction with statistical methods. The objective was to establish the minimum energy requirement. Taking hydrogen production via alkaline electrolysis with nuclear power as the benchmark, the acid decomposition step can consume no more than 450 kJ/mol SO{sub 2} for sulfur cycles to be competitive. The lowest value of the minimum heating target, 320.9 kJ/mol SO{sub 2}, was found at the highest pressure (90 bar) and peak process temperature (900 C) considered, and at a feed concentration of 42.5 mol% H{sub 2}SO{sub 4}. This should be low enough for a practical water-splitting process, even including the additional energy required to concentrate the acid feed. Lower temperatures consistently gave higher minimum heating targets. The lowest peak process temperature that could meet the 450-kJ/mol SO{sub 2} benchmark was 750 C. If the decomposition reactor were to be heated indirectly by an advanced gas-cooled reactor heat source (50 C temperature difference between primary and secondary coolants, 25 C minimum temperature difference between the secondary coolant and the process), then sulfur cycles using this concept could be competitive with alkaline electrolysis provided the primary heat source temperature is at least 825 C. The bayonet design will not be practical if the (primary heat source) reactor outlet temperature is below 825 C.

Gorensek, M.; Edwards, T.




DOE Green Energy (OSTI)

An estimate was made of the upper bound for the half-time of dissociation at 100 atm for ammonia, methane, and propane at 2500 deg K and hydrogen at 5000 deg K. In each case a unimolecular reactron in the homogeneous gas phase was chosen as most suitable for this purpose. Slater's theory has been used to estimate the necessary frequency factors. The upper bounds to the half- time for dissociation range from 3 x 10/sup -7/ to 6 x 10/sup -6/ sec. Extrapolation of decomposition rate data obtained at --1000 deg C and 1 atm pressure gives smaller values for the half-time of dissociation. (auth)

Herschbach, D.



Performance of a neutron transport code with full phase space decomposition on the Cray Research T3D  

SciTech Connect

We present performance results obtained on a 128-node Cray Research T3D computer by a neutron transport code implementing a standard mtiltigroup, discrete ordinates algorithm on a three-dimensional Cartesian grid. After summarizing the implementation strategy used to obtain a full decomposition of phase space (i.e., simultaneous parallelization of the neutron energy, directional and spatial variables), we investigate the scalability of the fundamental source iteration step with respect to each phase space variable. We also describe enhancements that have enabled performance rates approaching 10 gigaflops on the full 128-node machine.

Dorr, M.R.; Salo, E.M.


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DRAFT DO NOT QUOTE Energy Prices and Energy Intensity in China: A Structural Decomposition Analysis and Econometrics Study  

E-Print Network (OSTI)

Since the start of its economic reforms in 1978, China's energy prices relative to other prices have increased. At the same time, its energy intensity, i.e., energy consumption per unit of Gross Domestic Product (GDP), has declined dramatically, by about 70%, in spite of increases in energy consumption. Is this just a coincidence? Or does a systematic relationship exist between energy prices and energy intensity? In this study, we examine whether and how Chinas energy price changes affect its energy intensity trend during 1980-2002 at a macro level. We conduct the research by using two complementary economic models: the input-output-based structural decomposition analysis (SDA) and econometric regression models and by using a decomposition method of own-price elasticity of energy intensity. Findings include a negative own-price elasticity of energy intensity, a price-inducement effect on energyefficiency improvement, and a greater sensitivity (in terms of the reaction of energy intensity towards changes in energy prices) of the industry sector, compared to the overall economy. Analysts can use these results as a starting point for China's energy and carbon

Xiaoyu Shi; Karen R. Polenske; Xiaoyu Shi; Karen R. Polenske



Coal thermolysis modeling: The effect of cross-linking on the thermal decomposition of 1,3-diphenylpropane  

Science Conference Proceedings (OSTI)

In an effort to model the effects of restricted diffusion and cross-linking on the thermal decomposition of polymethylene units linking aromatic moieties in coal, a surface-attached, cross-linked 1,3-diphenylpropane has been synthesized through the condensation of p, p{prime}-HOPh(CH{sub 2}){sub 3}PhOH with a silica surface. Thermolysis of DPP at 375 C has been studied at a variety of surface coverages in which the fraction of diattached DPP varies from ca. 24 to 86% with complete diattachment not yet achieved. The influence of cross-linking and free phenolic functionality (Ph(CH{sub 2}){sub 3}PhOH) on the rate of decomposition and product distribution will be discussed and compared to the thermolysis of Ph(CH{sub 2}){sub 3}Ph as well as fluid phase DPP. Solid state CP/MAS {sup 13}C NMR will be used to prove the chemical composition and motional behavior of the substrate on the surface and their potential mechanistic impact.

Britt, P.F.; Buchanan, A.C. III.; Hagaman, E.W.; Biggs, C.A. (Oak Ridge National Lab., TN (United States))



Thermal Decomposition of Bulk K-CoMoSx Mixed Alcohol Catalyst Precursors and Effects on Catalyst Morphology and Performance  

Science Conference Proceedings (OSTI)

Cobalt molybdenum sulfide-type mixed alcohol catalysts were synthesized via calcination of precipitated bulk sulfides and studied with temperature programmed decomposition analysis. Precursors containing aqueous potassium were also considered. Precipitates thermally decomposed in unique events which released ammonia, carbon dioxide, and sulfur. Higher temperature treatments led to more crystalline and less active catalysts in general with ethanol productivity falling from 203 to 97 g (kg cat){sup -1} h{sup -1} when the calcination temperature was increased from 375 to 500 C. The addition of potassium to the precursor led to materials with crystalline potassium sulfides and good catalytic performance. In general, less potassium was required to promote alcohol selectivity when added before calcination. At calcination temperatures above 350 C, segregated cobalt sulfides were observed, suggesting that thermally decomposed sulfide precursors may contain a mixture of molybdenum and cobalt sulfides instead of a dispersed CoMoS type of material. When dimethyl disulfide was fed to the precursor during calcination, crystalline cobalt sulfides were not detected, suggesting an important role of free sulfur during decomposition.

Menart, M. J.; Hensley, J. E.; Costelow, K. E.



Identifying the Oil Price-Macroeconomy Relationship: An Empirical Mode Decomposition Analysis of U.S. Data  

Science Conference Proceedings (OSTI)

This work applies the empirical mode decomposition (EMD) method to data on real quarterly oil price (West Texas Intermediate - WTI) and U.S. gross domestic product (GDP). This relatively new method is adaptive and capable of handling non-linear and non-stationary data. Correlation analysis of the decomposition results was performed and examined for insights into the oil-macroeconomy relationship. Several components of this relationship were identified. However, the principal one is that the medium-run cyclical component of the oil price exerts a negative and exogenous influence on the main cyclical component of the GDP. This can be interpreted as the supply-driven or supply-shock component of the oil price-GDP relationship. In addition, weak correlations suggesting a lagging demand-driven, an expectations-driven, and a long-run supply-driven component of the relationship were also identified. Comparisons of these findings with significant oil supply disruption and recession dates were supportive. The study identified a number of lessons applicable to recent oil market events, including the eventuality of persistent economic and price declines following a long oil price run-up. In addition, it was found that oil-market related exogenous events are associated with short- to medium-run price implications regardless of whether they lead to actual supply disruptions.

Oladosu, Gbadebo A [ORNL



Phase decomposition in an Fe-40 at.% Cr alloy after isothermal aging and its effect on hardening  

SciTech Connect

The phase decomposition process of an Fe-40 at.% Cr alloy was studied after isothermal aging at 475 and 500 deg. C using a high-resolution transmission electron microscope, as well as hardness measurements. High-resolution transmission electron microscope observations showed that the hardening behavior is associated with the formation of the nanometric coherent decomposed Cr-rich and Fe-rich phases with irregular shape and interconnected as expected for a spinodally-decomposed alloy. As the aging progressed, coherent rounded Cr-rich phase precipitates were observed in the Fe-rich phase matrix. The coarsening process of the Cr-rich phase was observed for aging times up to 750 h. Nevertheless, no decrease in hardness with time was observed because of the nanometric size of the Cr-rich phase, less than 10 nm. Aging hardening was higher at 500 deg. C because of the higher decomposition kinetics. - Research Highlights: {yields} Spinodally-decomposed phases showed an interconnected and irregular shape in aged Fe-Cr alloy. {yields} Further aging promoted the formation of nanometric coherent rounded Cr-rich precipitates. {yields} Nanometric Cr-rich phases are responsible for the age hardening. {yields} Coarsening process of these nanometric Cr-rich precipitates caused no decrease in hardness.

Lopez-Hirata, Victor M., E-mail: vlopezhi@prodigy.net.mx; Soriano-Vargas, Orlando; Rosales-Dorantes, Hector J.; Saucedo Munoz, Maribel L.



Shock tube and theoretical studies on the thermal decomposition of propane : evidence for a roaming radical channel.  

Science Conference Proceedings (OSTI)

The thermal decomposition of propane has been studied using both shock tube experiments and ab initio transition state theory-based master equation calculations. Dissociation rate constants for propane have been measured at high temperatures behind reflected shock waves using high-sensitivity H-ARAS detection and CH{sub 3} optical absorption. The two major dissociation channels at high temperature are C{sub 3}H{sub 8} {yields} CH{sub 3} + C{sub 2}H{sub 5} (eq 1a) and C{sub 3}H{sub 8} {yields} CH{sub 4} + C{sub 2}H{sub 4} (eq 1b). Ultra high-sensitivity ARAS detection of H-atoms produced from the decomposition of the product, C{sub 2}H{sub 5}, in (1a), allowed measurements of both the total decomposition rate constants, k{sub total}, and the branching to radical products, k{sub 1a}/k{sub total}. Theoretical analyses indicate that the molecular products are formed exclusively through the roaming radical mechanism and that radical products are formed exclusively through channel 1a. The experiments were performed over the temperature range 1417-1819 K and gave a minor contribution of (10 {+-} 8%) due to roaming. A multipass CH{sub 3} absorption diagnostic using a Zn resonance lamp was also developed and characterized in this work using the thermal decomposition of CH{sub 3}I as a reference reaction. The measured rate constants for CH{sub 3}I decomposition agreed with earlier determinations from this laboratory that were based on I-atom ARAS measurements. This CH{sub 3} diagnostic was then used to detect radicals from channel 1a allowing lower temperature (1202-1543 K) measurements of k1a to be determined. Variable reaction coordinate-transition state theory was used to predict the high pressure limits for channel (1a) and other bond fission reactions in C{sub 3}H{sub 8}. Conventional transition state theory calculations were also used to estimate rate constants for other tight transition state processes. These calculations predict a negligible contribution (<1%) from all other bond fission and tight transition state processes, indicating that the bond fission channel (1a) and the roaming channel (1b) are indeed the only active channels at the temperature and pressure ranges of the present experiments. The predicted reaction exo- and endothermicities are in excellent agreement with the current version of the Active Thermochemical Tables. Master equation calculations incorporating these transition state theory results yield predictions for the temperature and pressure dependence of the dissociation rate constants for channel 1a. The final theoretical results reliably reproduce the measured dissociation rate constants that are reported here and in the literature. The experimental data are well reproduced over the 500-2500 K and 1 x 10{sup -4} to 100 bar range (errors of {approx}15% or less) by the following Troe parameters for Ar as the bath gas: k{sub {infinity}} = 1.55 x 10{sup 24}T{sup -2.034} exp(-45490/T) s{sup -1}, k{sub 0} = 7.92 x 10{sup 53}T{sup -16.67} exp(-50380/T) cm{sup 3} s{sup -1}, and F{sub c} = 0.190 exp(-T/3091) + 0.810 exp(-T/128) + exp(-8829/T).

Sivaramakrishnan, R.; Su, M.-C.; Michael, J. V.; Klippenstein, S. J.; Harding, L. B.; Ruscic, B. (Chemical Sciences and Engineering Division)



From chemical Langevin equations to Fokker-Planck equation: application of Hodge decomposition and Klein-Kramers equation  

E-Print Network (OSTI)

The stochastic systems without detailed balance are common in various chemical reaction systems, such as metabolic network systems. In studies of these systems, the concept of potential landscape is useful. However, what are the sufficient and necessary conditions of the existence of the potential function is still an open problem. Use Hodge decomposition theorem in differential form theory, we focus on the general chemical Langevin equations, which reflect complex chemical reaction systems. We analysis the conditions for the existence of potential landscape of the systems. By mapping the stochastic differential equations to a Hamiltonian mechanical system, we obtain the Fokker-Planck equation of the chemical reaction systems. The obtained Fokker-Planck equation can be used in further studies of other steady properties of complex chemical reaction systems, such as their steady state entropies.

Weihua Mu; Xiaoqing Li; Zhongcan Ou-Yang



From chemical Langevin equations to Fokker-Planck equation: application of Hodge decomposition and Klein-Kramers equation  

E-Print Network (OSTI)

The stochastic systems without detailed balance are common in various chemical reaction systems, such as metabolic network systems. In studies of these systems, the concept of potential landscape is useful. However, what are the sufficient and necessary conditions of the existence of the potential function is still an open problem. Use Hodge decomposition theorem in differential form theory, we focus on the general chemical Langevin equations, which reflect complex chemical reaction systems. We analysis the conditions for the existence of potential landscape of the systems. By mapping the stochastic differential equations to a Hamiltonian mechanical system, we obtain the Fokker-Planck equation of the chemical reaction systems. The obtained Fokker-Planck equation can be used in further studies of other steady properties of complex chemical reaction systems, such as their steady state entropies.

Mu, Weihua; Ou-Yang, Zhongcan



Thermal decomposition of Mg/V hydrotalcites and catalytic performance of the products in oxidative dehydrogenation reactions  

Science Conference Proceedings (OSTI)

Layered double hydroxides with the hydrotalcite-type structure containing Mg{sup 2+} and V{sup 3+} in the brucite-like layers, possessing different V contents, have been prepared and characterised by elemental chemical analysis, powder X-ray diffraction, Fourier transform infrared (FT-IR) spectroscopy and specific surface area and porosity assessment by nitrogen adsorption; thermal decomposition was studied by Differential Thermal Analysis and Thermogravimetric Analysis. The solids obtained after calcination at 800 deg. C were tested as catalysts for oxidative dehydrogenation of propane and n-butane. Results indicate that the relative amounts of Mg{sub 3}(VO{sub 4}) and MgO, depending on the V content in the starting hydrotalcite, determines the performance of the catalysts in oxidative dehydrogenation of propane and n-butane.

Holgado, M.J.; Labajos, F.M.; Montero, M.J.S.; Rives, V



Simulation of the nonequilibrium chemical decomposition of carbon dioxide in the presence of sulfur in a plasma  

Science Conference Proceedings (OSTI)

The authors carry out a model calculation of the kinetics of the decomposition of carbon dioxide in the presence of sulfur in a moderate-pressure nonequilibrium discharge. The process is stimulated by the vibrational excitation of CO/sub 2/. Kinetic curves and the time variation of the vibrational and translational temperatures are calculated. The dependence of the energy efficiency on the specific energy input has been obtained. The optimal energy input is 4 J/cm/sup 3/. The minimal energy comsumption per CO molecule is 2.7-3.5 eV. The results of the calculations are consistent with the experimental results in the case of a nonequilibrium UHF discharge. The mechanism of the process, which accounts for the results, particularly the higher efficiency of the process in comparison to the dissociation of pure CO/sub 2/, has been ascertained.

Zhivotov, V.K.; Levitskii, A.A.; Macheret, S.O.; Polak, L.S.



Decomposition of Fresh and Anaerobically Digested Plant Biomass in Soil1 K. K. MOORHEAD, D. A, GRAETZ, AND K. R. REDDY2  

E-Print Network (OSTI)

Decomposition of Fresh and Anaerobically Digested Plant Biomass in Soil1 K. K. MOORHEAD, D. A to produce CH4 or added to soil directly as an amendment.In this study, fresh and anaerobically digested digested plant biomass in soil. J. En- viron. Qual. 16:25-28. Anaerobic digestion of organic materials

Florida, University of


Rice-Ramsperger-Kassel-Marcus theoretical prediction of high-pressure arrhenius parameters by nonlinear regression: application to silane and disilane decomposition  

SciTech Connect

Arrhenius parameters are estimated for silane and disilane thermal decomposition reactions by direct regression of RRKM predictions on published static and shock-tube data. For silane decomposition, they find E/sub infinity/ = 57.4-61.1 kcal/mol and log A/sub infinity/ = 14.9-16.3, while for disilane they find E/sub infinity/ = 51.1-52.5 kcal/mol and log A/sub infinity/ = 15.2-16.2. The lower limiting values correspond to inclusion of negative temperature dependence in the collision efficiency, while the higher values correspond to inclusion of weak or negligible temperature dependence. The Arrhenium parameters for both silane and disilane decomposition differ substantially from previously published values. For silane, they predict preexponentials approximately an order of magnitude greater than the previous values for the same activation energy. For disilane, they find A/sub infinity/ is roughly an order of magnitude higher than the literature values and E/sub infinity/ is greater by more than 2 kcal/mol. Falloff curves for both silane and disilane decomposition are given. Implications of these results for the activation energy of SiH/sub 2/ insertion into H/sub 2/ and SiH/sub 4/ and for ..delta..H/sub f//sup 0/(SiH/sub 2/) are discussed.

Roenigk, K.F.; Jensen, K.F.; Carr, R.W.



Thermolysis of surface-attached 1,3-diphenylpropane: radical chain induced decomposition under conditions of restricted diffusion  

Science Conference Proceedings (OSTI)

Surface-immobilized 1,3-diphenylpropane (/approximately//approximately/Ph(CH/sub 2/)/sub 3/Ph, or /approximately//approximately/DPP) has been prepared by the condensation of p-(3-phenylpropyl)phenol with the surface hydroxyl groups of an amorphous, fumed silica. Thermolysis studies of the covalently attached /approximately//approximately/DPP have been conducted to explore the effects of restricted radical and substrate diffusion on a free-radical chain induced decomposition reaction, which has been reported to underlie the thermal reactivity of fluid-phase DPP at /<=/400/degrees/C. Thermolysis of /approximately//approximately/DPP has been studied at 345-400/degrees/C as a function of /approximately//approximately/DPP conversion (0.3-23%) and initial surface coverage (0.132-0.586 mmol g/sup -1/; 0.43-1.97 DPP molecules nm/sup -2/). Decomposition of surface-immobilized /approximately//approximately/DPP occurs readily in this temperature range by parallel free-radical chain pathways, whose rates are quite sensitive to surface coverage, producing PhCH/sub 3/ + /approximately//approximately/PhCH/double bond/CH/sub 2/ and /approximately//approximately/PhCH/sub 3/ + PhCH/double bond/CH/sub 2/ as the major product pairs. An unusual regiospecific hydrogen transfer process is observed that favors formation of /approximately//approximately/PhCH/sub 2/CH/sub 2/CHPh over /approximately//approximately/PhCHCH/sub 2/CH/sub 2/Ph as the proximity of /approximately//approximately/DPP molecules and hydrogen abstracting radicals on the surface decreases. This phenomenon results in regioselective cracking of /approximately//approximately/DPP favoring the /approximately//approximately/PhCH/sub 3/ + PhCH/double bond/CH/sub 2/ product pair. Implications are discussed for the thermal degradation of related structural features in a diffusionally restricted, macromolecular network such as occurs in coal. 31 references, 4 figures, 2 tables.

Buchanan, A.C. III; Biggs, C.A.



Isotope effect in the photochemical decomposition of CO{sub 2} (ice) by Lyman-{alpha} radiation  

SciTech Connect

The photochemical decomposition of CO{sub 2}(ice) at 75 K by Lyman-{alpha} radiation (10.2 eV) has been studied using transmission infrared spectroscopy. An isotope effect in the decomposition of the CO{sub 2} molecule in the ice has been discovered, favoring {sup 12}CO{sub 2} photodecomposition over {sup 13}CO{sub 2} by about 10%. The effect is caused by electronic energy transfer from the excited CO{sub 2} molecule to the ice matrix, which favors quenching of the heavier electronically-excited {sup 13}CO{sub 2} molecule over {sup 12}CO{sub 2}. The effect is similar to the Menzel-Gomer-Redhead isotope effect in desorption from adsorbed molecules on surfaces when electronically excited. An enhancement of the rate of formation of lattice-trapped CO and CO{sub 3} species is observed for the photolysis of the {sup 12}CO{sub 2} molecule compared to the {sup 13}CO{sub 2} molecule in the ice. Only 0.5% of the primary photoexcitation results in O-CO bond dissociation to produce trapped-CO and trapped-CO{sub 3} product molecules and the majority of the electronically-excited CO{sub 2} molecules return to the ground state. Here either vibrational relaxation occurs (majority process) or desorption of CO{sub 2} occurs (minority process) from highly vibrationally-excited CO{sub 2} molecules in the ice. The observation of the {sup 12}C/{sup 13}C isotope effect in the Lyman-{alpha} induced photodecomposition of CO{sub 2} (ice) suggests that over astronomical time scales the isotope enrichment effect may distort historical information derived from isotope ratios in space wherever photochemistry can occur.

Yuan Chunqing; Yates, John T. Jr. [Department of Chemistry, University of Virginia, Charlottesville, Virginia 22904 (United States)



Sources of Corn for Ethanol Production in the United States: A Review and Decomposition Analysis of the Empirical Data  

Science Conference Proceedings (OSTI)

The use of corn for ethanol production in the United States quintupled between 2001 and 2009, generating concerns that this could lead to the conversion of forests and grasslands around the globe, known as indirect land-use change (iLUC). Estimates of iLUC and related food versus fuel concerns rest on the assumption that the corn used for ethanol production in the United States would come primarily from displacing corn exports and land previously used for other crops. A number of modeling efforts based on these assumptions have projected significant iLUC from the increases in the use of corn for ethanol production. The current study tests the veracity of these assumptions through a systematic decomposition analysis of the empirical data from 2001 to 2009. The logarithmic mean divisia index decomposition method (Type I) was used to estimate contributions of different factors to meeting the corn demand for ethanol production. Results show that about 79% of the change in corn used for ethanol production can be attributed to changes in the distribution of domestic corn consumption among different uses. Increases in the domestic consumption share of corn supply contributed only about 5%. The remaining contributions were 19% from added corn production, and 2% from stock changes. Yield change accounted for about two-thirds of the contributions from production changes. Thus, the results of this study provide little support for large land-use changes or diversion of corn exports because of ethanol production in the United States during the past decade.

Oladosu, Gbadebo A [ORNL; Kline, Keith L [ORNL; Uria Martinez, Rocio [ORNL; Eaton, Laurence M [ORNL



The electrochemical reactions of pure In with Li and Na: anomalous electrolyte decomposition, benefits of FEC additive, phase transitions and electrode performance  

SciTech Connect

Indium thin films are evaluated as an anode material for Li-ion and Na-ion batteries (theoretical capacities of 1012 mAh g-1 for Li and 467 mAh g-1 for Na). The native surface oxides are responsible for the anomalous electrolyte decomposition during the first cycle while oxidized In species are found to be responsible for the electrolyte decomposition during the subsequent cycles. The presence of 5wt% FEC electrolyte additive suppresses the occurrence of the anomalous electrolyte decomposition during the first cycle but is not sufficient to prevent the decomposition upon further cycling from 0 to 2 V. Prevention of the anomalous decomposition can be achieved by restricting the charge cut-off, for instance at 1.1 V, or by using larger amounts of FEC. The In films show moderately good capacity retention with storage capacities when cycled with Li (950 mAh g-1) but significantly less when cycled with Na (125 mAh g-1). XRD data reveal that several known Li-In phases (i.e LiIn, Li3In2, LiIn2 and Li13In3) form during the electrochemical reaction. In contrast, the reaction with Na is severely limited. The largest amount of inserted Na is evidenced for cells short-circuited 40 hrs at 65C, for which the XRD data show the coexistence of NaIn, In, and an unknown phase. During cycling, mechanical degradation due to repeated expansion/shrinkage, evidenced by SEM, coupled with SEI formation is the primary source of the capacity fade. Finally, we show that the In thin films exhibit very high rate capability for both Li (100 C) and Na (30 C).

Hawks, Samantha A [ORNL] [ORNL; Baggetto, Loic [ORNL] [ORNL; Bridges, Craig A [ORNL] [ORNL; Veith, Gabriel M [ORNL] [ORNL



Modeling Ethanol Decomposition on Transition Metals: A Combined Application of Scaling and Brnsted-Evans-Polanyi Relations  

SciTech Connect

Applying density functional theory (DFT) calculations to the rational design of catalysts for complex reaction networks has been an ongoing challenge, primarily because of the high computational cost of these calculations. Certain correlations can be used to reduce the number and complexity of DFT calculations necessary to describe trends in activity and selectivity across metal and alloy surfaces, thus extending the reach of DFT to more complex systems. In this work, the well-known family of Brnsted-Evans-Polanyi (BEP) correlations, connecting minima with maxima in the potential energy surface of elementary steps, in tandem with a scaling relation, connecting binding energies of complex adsorbates with those of simpler ones (e.g., C, O), is used to develop a potential-energy surface for ethanol decomposition on 10 transition metal surfaces. Using a simple kinetic model, the selectivity and activity on a subset of these surfaces are calculated. Experiments on supported catalysts verify that this simple model is reasonably accurate in describing reactivity trends across metals, suggesting that the combination of BEP and scaling relations may substantially reduce the cost of DFT calculations required for identifying reactivity descriptors of more complex reactions.

Ferrin, Peter A.; Simonetti, Dante A.; Kandoi, Shampa; Kunkes, Edward L.; Dumesic, James A.; Norskov, Jens K.; Mavrikakis, Manos



Feasibility study: Application of the geopressured-geothermal resource to pyrolytic conversion or decomposition/detoxification processes  

DOE Green Energy (OSTI)

This study presents a preliminary evaluation of the technical and economic feasibility of selected conceptual processes for pyrolytic conversion of organic feedstocks or the decomposition/detoxification of hazardous wastes by coupling the process to the geopressured-geothermal resource. The report presents a detailed discussion of the resource and of each process selected for evaluation including the technical evaluation of each. A separate section presents the economic methodology used and the evaluation of the technically viable process. A final section presents conclusions and recommendations. Three separate processes were selected for evaluation. These are pyrolytic conversion of biomass to petroleum like fluids, wet air oxidation (WAO) at subcritical conditions for destruction of hazardous waste, and supercritical water oxidation (SCWO) also for the destruction of hazardous waste. The scientific feasibility of all three processes has been previously established by various bench-scale and pilot-scale studies. For a variety of reasons detailed in the report the SCWO process is the only one deemed to be technically feasible, although the effects of the high solids content of the geothermal brine need further study. This technology shows tremendous promise for contributing to solving the nation's energy and hazardous waste problems. However, the current economic analysis suggests that it is uneconomical at this time. 50 refs., 5 figs., 7 tabs.

Propp, W.A.; Grey, A.E.; Negus-de Wys, J.; Plum, M.M.; Haefner, D.R.



vrue Universiteit amsterdam Econometric A Primal-Dual Decomposition-Based Interior Point Approach to Two-Stage Stochastic Linear Programming  

E-Print Network (OSTI)

Decision making under uncertainty is a challenge faced by many decision makers. Stochastic programming is a major tool developed to deal with optimization with uncertainties that has found applications in, e.g. finance, such as asset-liability and bond-portfolio management. Computationally however, many models in stochastic programming remain unsolvable because of overwhelming dimensionality. For a model to be well solvable, its special structure must be explored. Most of the solution methods are based on decomposing the data. In this paper we propose a new decomposition approach for two-stage stochastic programming, based on a direct application of the path-following method combined with the homogeneous self-dual technique. Numerical experiments show that our decomposition algorithm is very efficient for solving stochastic programs. In particular, we apply our decomposition method to a two-period portfolio selection problem using options on a stock index. In this model the investor can invest in a money-market account, a stock index, and European options on this index with different maturities. We experiment our model with market prices of options on the S&P500.

Arjan Berkelaar; Cees Dert; Bart Oldenkamp; Shuzhong Zhang; Arjan Berkelaar; Cees De; Bart Oldenkampi; Shuzhong Zhangs



Energy savings and structural changes in the U.S. economy: Evidence from disaggregated data using decomposition techniques  

SciTech Connect

During the period 1973 to 1985, the U.S. economy saved energy in virtually every sector. Much of this period of energy saving was also marked by a significant drop in the ratio of energy use to GDP. However, since 1985 there has been a slowdown in the rate of energy saving, as key energy intensities (space heating, automobile driving, etc.) have declined less rapidly since 1985 than before. This paper examines delivered (or final) energy consumption trends from the early 1970s to 1994 and provides a framework for measuring key changes that affect U.S. energy use. Starting with estimates of outputs or activity levels for thirty major energy end uses, and energy intensities of each end use, we use the Adaptive Weighted Divisia decomposition to measure the impact of changes in the structure of the U.S. economy. In contrast to many similar decomposition studies, we define measures of structural changes for both households and branches of transportation. We find that between 1973 and 1985, lower energy intensities (corrected to average winter heating demand) reduced U.S. energy uses by about 1.7% per year, while structural changes reduced energy uses by 0.4% per year. After 1985, when oil prices declined markedly, intensities fell by only 0.8% per year and structural changes actually increased energy use by 0.4% per year. In the 1990s energy intensities in some industries have even edged upward. Changes in the ratio of energy to GDP (E/GDP) are affected both by intensities and the changes in the demand for energy services relative to GDP. During the first period, from 1973 to 1985, GDP increased faster than the growth in key structural and activity parameters that determine demand for energy services (such as home area, appliance ownership, and motor vehicle use) by 1.5% per year. From 1985 to 1994 the difference dropped to less than 0.3% per year, largely due to the reversal of structural trends. Thus, the sharp fall in the rate of decline in E/GDP from -3.1% to -1.1% per year was due almost as much to structural changes as it was to the slowdown in energy intensity reduction. The analysis presented here shows why the E/GDP is an increasingly unreliable yardstick for making measurements of how the energy-economy relationship is changing: effects not related to energy efficiency per se may have roughly the same impact on that ratio as energy saving itself. Since these effects have different causes, and potentially different impacts over the long run, looking at them in the aggregate by considering only the ratio of energy use to GDP is misleading.

Murtishaw, Scott; Schipper, Lee


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Thermal decomposition of CH{sub 3}CHO studied by matrix infrared spectroscopy and photoionization mass spectroscopy  

Science Conference Proceedings (OSTI)

A heated SiC microtubular reactor has been used to decompose acetaldehyde and its isotopomers (CH{sub 3}CDO, CD{sub 3}CHO, and CD{sub 3}CDO). The pyrolysis experiments are carried out by passing a dilute mixture of acetaldehyde (roughly 0.1%-1%) entrained in a stream of a buffer gas (either He or Ar) through a heated SiC reactor that is 2-3 cm long and 1 mm in diameter. Typical pressures in the reactor are 50-200 Torr with the SiC tube wall temperature in the range 1200-1900 K. Characteristic residence times in the reactor are 50-200 {mu}s after which the gas mixture emerges as a skimmed molecular beam at a pressure of approximately 10 {mu}Torr. The reactor has been modified so that both pulsed and continuous modes can be studied, and results from both flow regimes are presented. Using various detection methods (Fourier transform infrared spectroscopy and both fixed wavelength and tunable synchrotron radiation photoionization mass spectrometry), a number of products formed at early pyrolysis times (roughly 100-200 {mu}s) are identified: H, H{sub 2}, CH{sub 3}, CO, CH{sub 2}=CHOH, HC{identical_to}CH, H{sub 2}O, and CH{sub 2}=C=O; trace quantities of other species are also observed in some of the experiments. Pyrolysis of rare isotopomers of acetaldehyde produces characteristic isotopic signatures in the reaction products, which offers insight into reaction mechanisms that occur in the reactor. In particular, while the principal unimolecular processes appear to be radical decomposition CH{sub 3}CHO (+M) {yields} CH{sub 3}+ H + CO and isomerization of acetaldehyde to vinyl alcohol, it appears that the CH{sub 2}CO and HCCH are formed (perhaps exclusively) by bimolecular reactions, especially those involving hydrogen atom attacks.

Vasiliou, AnGayle K. [Department of Chemistry and Biochemistry, University of Colorado, Boulder, Colorado 80309-0215 (United States); National Renewable Energy Laboratory, 1617 Cole Blvd., Golden, Colorado 80401 (United States); Piech, Krzysztof M.; Reed, Beth; Ellison, G. Barney [Department of Chemistry and Biochemistry, University of Colorado, Boulder, Colorado 80309-0215 (United States); Zhang Xu [Jet Propulsion Laboratory, California Institute of Technology, 4800 Oak Grove Drive, Pasadena, California 91109-8099 (United States); Nimlos, Mark R. [National Renewable Energy Laboratory, 1617 Cole Blvd., Golden, Colorado 80401 (United States); Ahmed, Musahid; Golan, Amir; Kostko, Oleg [Chemical Sciences Division, LBNL MS 6R-2100, Berkeley, California 94720 (United States); Osborn, David L. [Combustion Research Facility, Sandia National Laboratories, P.O. Box 969 MS 9055, Livermore, California 94551-0969 (United States); David, Donald E. [Integrated Instrument Design Facility, CIRES, University of Colorado, Boulder, Colorado 80309-0216 (United States); Urness, Kimberly N.; Daily, John W. [Center for Combustion and Environmental Research, Department of Mechanical Engineering, University of Colorado at Boulder, Boulder, Colorado 80309-0427 (United States); Stanton, John F. [Institute for Theoretical Chemistry, Department of Chemistry, University of Texas, Austin, Texas 78712 (United States)



Context: Decomposition Products  

Science Conference Proceedings (OSTI)

... Pyrotechnically Augmented Liquid Agent System.. ... Suppression of a Laminar Opposed-Flow Natural Gas/Air Diffusion Flame With C3HF7.. ...




Science Conference Proceedings (OSTI)

... Acetone 5.5 3.6 Ethanol 6.8 4.7 ... Cup Burner Data For TDP Tests - * ( rweral ind.p.nd.nl lab.) c P - I r* * **: 4 t 4 * ... More work will be done to quantify ...



Explosives Decomposition Chemistry  

Science Conference Proceedings (OSTI)

... of existing materials, and the engineering of delivered ... The most important high-energy material is ... Researchers and engineers working with high ...



Theory decision by decomposition  

Science Conference Proceedings (OSTI)

The topic of this article is decision procedures for satisfiability modulo theories (SMT) of arbitrary quantifier-free formulae. We propose an approach that decomposes the formula in such a way that its definitional part, including the theory, can be ... Keywords: Automated theorem proving: Rewriting, superposition, paramodulation, Satisfiability modulo theories: Decision procedures, combination of theories

Maria Paola Bonacina; Mnacho Echenim



Decomposition of Risk Measures  

E-Print Network (OSTI)

Oct 17, 2012... variable describing the financial losses associated to certain activity. ...... The proof presented here builds on the respective statement of the...


Jordan Matrix Decomposition  

E-Print Network (OSTI)

which states that an arbitrary square matrix M over an algebraically closed field can be decomposed into the form M = SJS ?1 where S is an invertible matrix and J is a matrix in a Jordan canonical form, i.e. a special type of block diagonal matrix in which each block consists of Jordan blocks (see [13]).

Karol P?k



Symbolic Domain Decomposition - CECM  

E-Print Network (OSTI)

3Department of Computer Science, University of Western Ontario ...... By the results of section 4, we can always choose. R? to be. P1 ? ... ? Pn?1 ? Q1 ? .


Novel Composite Hydrogen-Permeable Membranes for Non-Thermal Plasma Reactors for the Decomposition of Hydrogen Sulfide  

DOE Green Energy (OSTI)

The goal of this experimental project is to design and fabricate a reactor and membrane test cell to dissociate hydrogen sulfide (H{sub 2}S) in a non-thermal plasma and recover hydrogen (H{sub 2}) through a superpermeable multi-layer membrane. Superpermeability of hydrogen atoms (H) has been reported by some researchers using membranes made of Group V transition metals (niobium, tantalum, vanadium, and their alloys), although it has yet to be confirmed in this study. Several pulsed corona discharge (PCD) reactors have been fabricated and used to dissociate H{sub 2}S into hydrogen and sulfur. Visual observation shows that the corona is not uniform throughout the reactor. The corona is stronger near the top of the reactor in argon, while nitrogen and mixtures of argon or nitrogen with H{sub 2}S produce stronger coronas near the bottom of the reactor. Both of these effects appear to be explainable base on the different electron collision interactions with monatomic versus polyatomic gases. A series of experiments varying reactor operating parameters, including discharge capacitance, pulse frequency, and discharge voltage were performed while maintaining constant power input to the reactor. At constant reactor power input, low capacitance, high pulse frequency, and high voltage operation appear to provide the highest conversion and the highest energy efficiency for H{sub 2}S decomposition. Reaction rates and energy efficiency per H{sub 2}S molecule increase with increasing flow rate, although overall H{sub 2}S conversion decreases at constant power input. Voltage and current waveform analysis is ongoing to determine the fundamental operating characteristics of the reactors. A metal infiltrated porous ceramic membrane was prepared using vanadium as the metal and an alumina tube. Experiments with this type of membrane are continuing, but the results thus far have been consistent with those obtained in previous project years: plasma driven permeation or superpermeability has not been observed. A new test cell specially designed to test the membranes has been constructed to provide basic science data on superpermeability.

Morris D. Argyle; John F. Ackerman; Suresh Muknahallipatna; Jerry C. Hamann; Stanislaw Legowski; Guibing Zhao; Sanil John



Decomposition of NH3BH3 at sub-ambient pressures: A combined thermogravimetry-differential thermal analysis-mass spectrometry study  

DOE Green Energy (OSTI)

We report a systematic study of the isothermal decomposition of ammonia borane, NH3BH3, at 363 K as a function of argon pressure ranging between 50 and 1040 mbar using thermogravimetry and differential thermal analysis coupled with mass analysis of the volatile species. During thermal aging at 363 K, evolution of hydrogen, aminoborane and borazine is monitored, with the relative mass loss strongly depending on the pressure in the reaction chamber. Furthermore, the induction period required for hydrogen release at 363 K decreases with decreasing pressure.

Palumbo, Oriele; Paolone, Annalisa; Rispoli, Pasquale; Cantelli, Rosario; Autrey, Thomas




Science Conference Proceedings (OSTI)

Savannah River National Laboratory conducted a series of tests on the Enhanced Chemical Cleaning (ECC) process using actual Savannah River Site waste material from Tanks 5F and 12H. Testing involved sludge dissolution with 2 wt% oxalic acid, the decomposition of the oxalates by ozonolysis (with and without the aid of ultraviolet light), the evaporation of water from the product, and tracking the concentrations of key components throughout the process. During ECC actual waste testing, the process was successful in decomposing oxalate to below the target levels without causing substantial physical or chemical changes in the product sludge.

Martino, C.; King, W.; Ketusky, E.



Synthesis and characterization of ZnO and Ni doped ZnO nanorods by thermal decomposition method for spintronics application  

SciTech Connect

Zinc oxide nanorods and diluted magnetic semiconducting Ni doped ZnO nanorods were prepared by thermal decomposition method. This method is simple and cost effective. The decomposition temperature of acetate and formation of oxide were determined by TGA before the actual synthesis process. The X-ray diffraction result indicates the single phase hexagonal structure of zinc oxide. The transmission electron microscopy and scanning electron microscopy images show rod like structure of ZnO and Ni doped ZnO samples with the diameter {approx} 35 nm and the length in few micrometers. The surface analysis was performed using X-ray photoelectron spectroscopic studies. The Ni doped ZnO exhibits room temperature ferromagnetism. This diluted magnetic semiconducting Ni doped ZnO nanorods finds its application in spintronics. - Highlights: Black-Right-Pointing-Pointer The method used is very simple and cost effective compared to all other methods for the preparation DMS materials. Black-Right-Pointing-Pointer ZnO and Ni doped ZnO nanorods Black-Right-Pointing-Pointer Ferromagnetism at room temperature.

Saravanan, R.; Santhi, Kalavathy [Materials Science Centre, Department of Nuclear Physics, University of Madras, Guindy Campus, Chennai-600 025 (India); Sivakumar, N. [Amrita Center for Nanosciences, Amrita Research Institute, Kochi-682 041 (India); Narayanan, V. [Department of Inorganic Chemistry, University of Madras, Guindy Campus, Chennai-600 025 (India); Stephen, A., E-mail: stephen_arum@hotmail.com [Materials Science Centre, Department of Nuclear Physics, University of Madras, Guindy Campus, Chennai-600 025 (India)



Modification of Ni state to promote the stability of Ni-Al{sub 2}O{sub 3} catalyst in methane decomposition to produce hydrogen and carbon nanofibers  

SciTech Connect

The methodology was illustrated for modifying the state of Ni to promote the stability of the coprecipitated Ni-Al{sub 2}O{sub 3} catalyst via incorporating ZnO and Cu in methane decomposition to produce hydrogen and carbon nanofibers. The influences of the incorporation on the state of Ni were examined with XRD, TPR, XPS and TEM. For the incorporation of ZnO, ZnAl{sub 2}O{sub 4} spinel-like structure could be formed in the interface between ZnO and Al{sub 2}O{sub 3}. The interaction between Ni and the ZnAl{sub 2}O{sub 4} structure can promote both the activity and the stability of Ni in methane decomposition. The formation of a Ni-Cu alloy from Ni and the incorporated Cu decreases the activity of Ni, however, promotes the stability pronouncedly. - Graphical abstract: Highlights: Black-Right-Pointing-Pointer Methodology for modifying Ni state of coprecipitated Ni-Al{sub 2}O{sub 3} was illustrated. Black-Right-Pointing-Pointer Influence of incorporating ZnO/Cu on Ni state of Ni-Al{sub 2}O{sub 3} was compared. Black-Right-Pointing-Pointer Influence of modifying Ni state on performance of Ni-Al{sub 2}O{sub 3} was investigated.

Chen Jiuling, E-mail: cjlchen@yahoo.com [Department of Catalysis Science and Technology, School of Chemical Engineering, Tianjin University, Tianjin 300072 (China); Qiao Yuanhua; Li Yongdan [Department of Catalysis Science and Technology, School of Chemical Engineering, Tianjin University, Tianjin 300072 (China)



Catalyst Activity and Post-operation Analyses of Pt/TiO2 (Rutile) Catalysts Used in the Sulfuric Acid Decomposition Reaction  

DOE Green Energy (OSTI)

Production of hydrogen by splitting of water at lower temperatures than by direct thermal decomposition can be achieved by a series of particular chemical reactions that establish a thermochemical cycle [1]. Among the high number of thermochemical water-splitting cycles proposed in the literature [2], the sulfur-based group is of considerable interest. All the sulfur-based cycles employ the catalytic decomposition of sulfuric acid into SO2 and O2. The produced O2 corresponds to the O2 generated from water in the overall cycle. Research performed at the Idaho National Laboratory [3] has found that even one of the most stables catalysts, Pt supported on low surface area titania, deactivates with time on stream (TOS). To develop an understanding of the factors that cause catalyst deactivation, samples of 1% Pt supported on titania (rutile) catalyst were submitted to flowing concentrated sulfuric acid at 1123 K and atmospheric pressure for different TOSs between 0 and 548 h and a number of chemical and spectroscopic analyses applied to the spent samples.

Lucia M. Petkovic; Daniel M. Ginosar; Harry W. Rollins; Kyle C. Burch; Patrick J. Pinhero; Helen H. Farrell




DOE Green Energy (OSTI)

This report summarizes the results of work done during the performance period on this project, between October 1, 2002 and December 31, 2003, with a three month no-cost extension. The principal objective of this work was to develop a low-cost process for the synthesis of sinterable, fine powder of YSZ. The process is based on molecular decomposition (MD) wherein very fine particles of YSZ are formed by: (1) Mixing raw materials in a powder form, (2) Synthesizing compound containing YSZ and a fugitive constituent by a conventional process, and (3) Selectively leaching (decomposing) the fugitive constituent, thus leaving behind insoluble YSZ of a very fine particle size. While there are many possible compounds, which can be used as precursors, the one selected for the present work was Y-doped Na{sub 2}ZrO{sub 3}, where the fugitive constituent is Na{sub 2}O. It can be readily demonstrated that the potential cost of the MD process for the synthesis of very fine (or nanosize) YSZ is considerably lower than the commonly used processes, namely chemical co-precipitation and combustion synthesis. Based on the materials cost alone, for a 100 kg batch, the cost of YSZ made by chemical co-precipitation is >$50/kg, while that of the MD process should be <$10/kg. Significant progress was made during the performance period on this project. The highlights of the progress are given here in a bullet form. (1) From the two selected precursors listed in Phase I proposal, namely Y-doped BaZrO{sub 3} and Y-doped Na{sub 2}ZrO{sub 3}, selection of Y-doped Na{sub 2}ZrO{sub 3} was made for the synthesis of nanosize (or fine) YSZ. This was based on the potential cost of the precursor, the need to use only water for leaching, and the short time required for the process. (2) For the synthesis of calcia-stabilized zirconia (CSZ), which has the potential for use in place of YSZ in the anode of SOFC, Ca-doped Na{sub 2}ZrO{sub 3} was demonstrated as a suitable precursor. (3) Synthesis of Y-doped Na{sub 2}ZrO{sub 3} and Ca-doped Na{sub 2}ZrO{sub 3} was achieved using a conventional calcination process. The corresponding surface area was {approx}1 to 2 m{sup 2}/g. (4) By leaching with water, nanosize (very fine) YSZ and CSZ powders were synthesized. The corresponding surface area was {approx}65 m{sup 2}/g. This demonstrates the MD concept, namely macroscopic precursor {yields} leaching {yields} very fine (nanosize) product. (5) Crystallite size was determined by TEM ({approx}5 nm). (6) Anode-supported cells, with YSZ and CSZ made by the MD process, were successfully made by a conventional pressing and sintering process. (7) Single cells were made with as-synthesized YSZ and CSZ as a constituent in anode support. (8) A single cell (LSM + YSZ cathode) was tested at 800 C with H{sub 2}/air, with maximum power density of {approx}1.2 W/cm{sup 2}. (9) Dense samples of both YSZ and CSZ made by the MD process were fabricated. (10) Preliminary cost analysis, based on materials cost only, showed that the cost of YSZ powder made by the MD process should be considerably lower than that made by either chemical co-precipitation or combustion synthesis. For an anode-supported cell design, for an assumed power density of 0.5 W/cm{sup 2}, the cost of YSZ made by the MD process is estimated to be {approx}$5/kW. By contrast, the cost per kW for chemical co-precipitation or combustion synthesis is {approx}$70/kW and {approx}$23/kW, respectively. Efforts are currently underway to fabricate 5 cm x 5 cm active anode-supported cells with YSZ made by the MD process.

Anil V. Virkar



Control of high level radioactive waste-glass melters. Part 6, Noble metal catalyzed formic acid decomposition, and formic acid/denitration  

DOE Green Energy (OSTI)

A necessary step in Defense Waste Processing Facility (DWPF) melter feed preparation for the immobilization of High Level Radioactive Waste (HLW) is reduction of Hg(II) to Hg(0), permitting steam stripping of the Hg. Denitrition and associated NOx evolution is a secondary effect of the use of formic acid as the mercury-reducing agent. Under certain conditions the presence of transition or noble metals can result in significant formic acid decomposition, with associated CO{sub 2} and H{sub 2} evolution. These processes can result in varying redox properties of melter feed, and varying sequential gaseous evolution of oxidants and hydrogen. Electrochemical methods for monitoring the competing processes are discussed. Laboratory scale techniques have been developed for simulating the large-scale reactions, investigating the relative effectiveness of the catalysts, and the effectiveness of catalytic poisons. The reversible nitrite poisoning of formic acid catalysts is discussed.

Bickford, D.F.; Coleman, C.J.; Hsu, C.L.W.; Eibling, R.E.



Rate constants for the thermal decomposition of ethanol and its bimolecular reactions with OH and D : reflected shock tube and theoretical studies.  

Science Conference Proceedings (OSTI)

The thermal decomposition of ethanol and its reactions with OH and D have been studied with both shock tube experiments and ab initio transition state theory-based master equation calculations. Dissociation rate constants for ethanol have been measured at high T in reflected shock waves using OH optical absorption and high-sensitivity H-atom ARAS detection. The three dissociation processes that are dominant at high T are: C{sub 2}H{sub 5}OH {yields} C{sub 2}H{sub 4} + H{sub 2}O; C{sub 2}H{sub 5}OH {yields} CH{sub 3} + CH{sub 2}OH; C{sub 2}H{sub 5}OH {yields} C{sub 2}H{sub 5} + OH. The rate coefficient for reaction C was measured directly with high sensitivity at 308 nm using a multipass optical White cell. Meanwhile, H-atom ARAS measurements yield the overall rate coefficient and that for the sum of reactions B and C, since H-atoms are instantaneously formed from the decompositions of CH{sub 2}OH and C{sub 2}H{sub 5} into CH{sub 2}O + H and C{sub 2}H{sub 4} + H, respectively. By difference, rate constants for reaction 1 could be obtained. One potential complication is the scavenging of OH by unreacted ethanol in the OH experiments, and therefore, rate constants for OH + C{sub 2}H{sub 5}OH {yields} products were measured using tert-butyl hydroperoxide (tBH) as the thermal source for OH. The present experiments can be represented by the Arrhenius expression k = (2.5 {+-} 0.43) x 10{sup -11} exp(- 911 {+-} 191 K/T) cm{sup 3} molecule{sup -1} s{sup -1} over the T range 857-1297 K. For completeness, we have also measured the rate coefficient for the reaction of D atoms with ethanol D + C{sub 2}H{sub 5}OH {yields} products whose H analogue is another key reaction in the combustion of ethanol. Over the T range 1054-1359 K, the rate constants from the present experiments can be represented by the Arrhenius expression, k = (3.98 {+-} 0.76) x 10{sup -10} exp(- 4494 {+-} 235 K/T) cm{sup 3} molecule{sup -1} s{sup -1}. The high-pressure rate coefficients for reactions B and C were studied with variable reaction coordinate transition state theory employing directly determined CASPT2/cc-pvdz interaction energies. Reactions A, D, and E were studied with conventional transition state theory employing QCISD(T)/CBS energies. For the saddle point in reaction A, additional high-level corrections are evaluated. The predicted reaction exo- and endothermicities are in good agreement with the current Active Thermochemical Tables values. The transition state theory predictions for the microcanonical rate coefficients in ethanol decomposition are incorporated in master equation calculations to yield predictions for the temperature and pressure dependences of reactions A-C. With modest adjustments (<1 kcal/mol) to a few key barrier heights, the present experimental and adjusted theoretical results yield a consistent description of both the decomposition (1-3) and abstraction kinetics (4 and 5). The present results are compared with earlier experimental and theoretical work.

Sivaramakrishnan, R.; Su, M.-C.; Michael, J. V.; Klippenstein, S. J.; Harding, L. B.; Ruscic, B. (Chemical Sciences and Engineering Division)



Middle-term electrical load forecasting by time series decomposition. Report for EUNITE 2001 Competition, 2001. Available at http://neuron.tuke.sk/competition  

E-Print Network (OSTI)

Abstract. We present the results of our work in the frame of World-Wide Competition organized within the EUNITE network. For the middle-term electric load forecasting task with prediction horizon 1-31 days ahead we decided to develop a simple model based on decomposition of analyzed time series. The additive components were estimated using the training data collected by the Eastern Slovakian Electricity Corporation during the period 1997-1998. The model was validated by using of the real data from the first 20 days in December 1998. For final application the model was retrained and the requested forecasts were performed. The temperatures in January 1999, which form the inputs to the model, were estimated by moving average methods applied on historical data sets. 1

Emil Pelikn



Production of Hydrogen by Superadiabatic Decomposition of Hydrogen Sulfide - Final Technical Report for the Period June 1, 1999 - September 30, 2000  

DOE Green Energy (OSTI)

The objective of this program is to develop an economical process for hydrogen production, with no additional carbon dioxide emission, through the thermal decomposition of hydrogen sulfide (H{sub 2}S) in H{sub 2}S-rich waste streams to high-purity hydrogen and elemental sulfur. The novel feature of the process being developed is the superadiabatic combustion (SAC) of part of the H{sub 2}S in the waste stream to provide the thermal energy required for the decomposition reaction such that no additional energy is required. The program is divided into two phases. In Phase 1, detailed thermochemical and kinetic modeling of the SAC reactor with H{sub 2}S-rich fuel gas and air/enriched air feeds is undertaken to evaluate the effects of operating conditions on exit gas products and conversion efficiency, and to identify key process parameters. Preliminary modeling results are used as a basis to conduct a thorough evaluation of SAC process design options, including reactor configuration, operating conditions, and productivity-product separation schemes, with respect to potential product yields, thermal efficiency, capital and operating costs, and reliability, ultimately leading to the preparation of a design package and cost estimate for a bench-scale reactor testing system to be assembled and tested in Phase 2 of the program. A detailed parametric testing plan was also developed for process design optimization and model verification in Phase 2. During Phase 2 of this program, IGT, UIC, and industry advisors UOP and BP Amoco will validate the SAC concept through construction of the bench-scale unit and parametric testing. The computer model developed in Phase 1 will be updated with the experimental data and used in future scale-up efforts. The process design will be refined and the cost estimate updated. Market survey and assessment will continue so that a commercial demonstration project can be identified.

Rachid B. Slimane; Francis S. Lau; Javad Abbasian



The Hy-C process (thermal decomposition of natural gas): Potentially the lowest cost source of hydrogen with the least CO{sub 2} emission  

SciTech Connect

The abundance of natural gas as a natural resource and its high hydrogen content make it a prime candidate for a low cost supply of hydrogen. The thermal decomposition of natural gas by methane pyrolysis produces carbon and hydrogen. The process energy required to produce one mol of hydrogen is only 5.3% of the higher heating value of methane. The thermal efficiency for hydrogen production as a fuel without the use of carbon as a fuel, can be as high as 60%. Conventional steam reforming of methane requires 8.9% process energy per mole of hydrogen even though 4 moles of hydrogen can be produced per mole of methane, compared to 2 moles by methane pyrolysis. When considering greenhouse global gas warming, methane pyrolysis produces the least amount of CO{sub 2} emissions per unit of hydrogen and can be totally eliminated when the carbon produced is either sequestered or sold as a materials commodity, and hydrogen is used to fuel the process. Conventional steam reforming of natural gas and CO shifting produces large amounts of CO{sub 2} emissions. The energy requirement for non-fossil, solar, nuclear, and hydropower production of hydrogen, mainly through electrolysis, is much greater than that from natural gas. From the resource available energy and environmental points of view, production of hydrogen by methane pyrolysis is most attractive. The by-product carbon black, when credited as a saleable material, makes hydrogen by thermal decomposition of natural gas (the Hy-C process) potentially the lowest cost source of large amounts of hydrogen.

Steinberg, M.


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Proceedings of the Institute of Transportation 50th Birthday Symposium April 23-24, 1998 The Transportation Enterprise: Challenges of ther 21st Century  

E-Print Network (OSTI)

study of the social costs of transportation (see work byand Costs of Transportation: Review and Prospects, Technical Change in Transportation: Social

Bertini, Robert L.; Orrick, Phyllis



Temperature-programmed decomposition desorption of mercury species over activated carbon sorbents for mercury removal from coal-derived fuel gas  

Science Conference Proceedings (OSTI)

The mercury (Hg{sup 0}) removal process for coal-derived fuel gas in the integrated gasification combined cycle (IGCC) process will be one of the important issues for the development of a clean and highly efficient coal power generation system. Recently, iron-based sorbents, such as iron oxide (Fe{sub 2}O{sub 3}), supported iron oxides on TiO{sub 2}, and iron sulfides, were proposed as active mercury sorbents. The H{sub 2}S is one of the main impurity compounds in coal-derived fuel gas; therefore, H{sub 2}S injection is not necessary in this system. HCl is also another impurity in coal-derived fuel gas. In this study, the contribution of HCl to the mercury removal from coal-derived fuel gas by a commercial activated carbon (AC) was studied using a temperature-programmed decomposition desorption (TPDD) technique. The TPDD technique was applied to understand the decomposition characteristics of the mercury species on the sorbents. The Hg{sup 0}-removal experiments were carried out in a laboratory-scale fixed-bed reactor at 80-300{sup o}C using simulated fuel gas and a commercial AC, and the TPDD experiments were carried out in a U-tube reactor in an inert carrier gas (He or N{sub 2}) after mercury removal. The following results were obtained from this study: (1) HCl contributed to the mercury removal from the coal-derived fuel gas by the AC. (2) The mercury species captured on the AC in the HCl{sup -} and H{sub 2}S-presence system was more stable than that of the H{sub 2}S-presence system. (3) The stability of the mercury surface species formed on the AC in the H{sub 2}S-absence and HCl-presence system was similar to that of mercury chloride (HgClx) species. 25 refs., 12 figs., 1 tab.

M. Azhar Uddin; Masaki Ozaki; Eiji Sasaoka; Shengji Wu [Okayama University, Okayama (Japan). Faculty of Environmental Science and Technology



Methanol Decomposition over Palladium Particles Supported on Silica: Role of Particle Size and Co-Feeding Carbon Dioxide on the Catalytic Properties  

Science Conference Proceedings (OSTI)

Monodisperse palladium particles of six distinct and controlled sizes between 4-16 nm were synthesized in a one-pot polyol process by varying the molar ratios of the two palladium precursors used, which contained palladium in different oxidation states. This difference permitted size control by regulation of the nucleation rate because low oxidation state metals ions nucleate quickly relative to high oxidation state ions. After immobilization of the Pd particles on silica by mild sonication, the catalysts were characterized by X-ray absorption spectroscopy and applied toward catalytic methanol decomposition. This reaction was determined as structure sensitive with the intrinsic activity (turnover frequency) increasing with increasing particle size. Moreover, observed catalytic deactivation was linked to product (carbon monoxide) poisoning. Co-feeding carbon dioxide caused the activity and the amount of deactivation to decrease substantially. A reaction mechanism based on the formation of the {pi}-bond between carbon and oxygen as the rate-limiting step is in agreement with antipathetic structure sensitivity and product poisoning by carbon monoxide.

Hokenek, Selma; Kuhn, John N. (USF)



Design of Air-cooled Microchannel Condensers for Mal-distributed Air Flow Conditions .  

E-Print Network (OSTI)

??Air-cooled condensers are routinely designed for a variety of applications, including residential air-conditioning systems. Recent attempts at improving the performance of these heat exchangers have (more)

Subramaniam, Vishwanath



An experimental investigation of the urea-water decomposition and selective catalytic reduction (SCR) of nitric oxides with urea using V2O5-WO3-TiO2 catalyst.  

E-Print Network (OSTI)

Two flow reactor studies, using an electrically heated laminar flow reactor over Vanadia based (V2O5-WO3/TiO2) honeycomb catalyst, were performed at 1 atm pressure and various temperatures. The experiments were conducted using simulated exhaust gas compositions for different exhaust gases. A quartz tube was used in order to establish inert conditions inside the reactor. The experiments utilized a Fourier transform infrared (FTIR) spectrometer in order to perform both qualitative and quantitative analysis of the reaction products. Urea-water solution decomposition was investigated over V2O5-WO3/TiO2 catalyst over the entire SCR temperature range using the temperature controlled flow reactor. The solution was preheated and then injected into pure nitrogen (N2) stream. The decomposition experiments were conducted with a number of oxygen (O2) compositions (0, 1, 10, and 15%) over the temperature range of 227oC to 477oC. The study showed ammonia (NH3), carbon-dioxide (CO2) and nitric oxide (NO) as the major products of decomposition along with other products such as nitrous oxide (N2O) and nitrogen dioxide (NO2). The selective catalytic reduction (SCR) of nitric oxide (NO) with urea-water solution over V2O5-WO3/TiO2 catalyst using a laboratory laminar-flow reactor was investigated. Urea-water solution was injected at a temperature higher than the vaporization temperature of water and the flow reactor temperature was varied from 127oC to 477oC. A FTIR spectrometer was used to determine the concentrations of the product species. The major products of SCR reduction were NH3, NO and CO2 along with the presence of other minor products NO2 and N2O. NO removal of up to 87% was observed. The aim of the urea-water decomposition experiments was to study the decomposition process as close to the SCR configuration as possible. The aim of the SCR experiments was to delineate the effect of various parameters including reaction temperature and O2 concentration on the reduction process. The SCR investigation showed that changing parameter values significantly affected the NO removal, the residual NH3 concentration, the temperature of the maximum NO reduction, and the temperature of complete NH3 conversion. In the presence of O2, the reaction temperature for maximum NO reduction was 377?C for ratio of 1.0.

Johar, Jasmeet Singh



Domain decomposition for multiresolution analysis  

Science Conference Proceedings (OSTI)

This paper describes a method for converting an arbitrary mesh with irregular connectivity to a semi-regular multiresolution representation. A shape image encoding geometric and differential properties of the input model is computed. Standard image processing ... Keywords: geometry images, model segmentation, multiresolution, subdivision surfaces

Ioana M. Boier-Martin



On Convex Decompositions of Points  

Science Conference Proceedings (OSTI)

Given a planar point set in general position, S, we seek a partition of the points into convex cells, such that the union of the cells forms a simple polygon, P, and every point from S is on the boundary of P. Let f(S) ...

Kiyoshi Hosono; David Rappaport; Masatsugu Urabe




DOE Patents (OSTI)

A method is presented of preparing uranium metal of high purity consisting contacting impure U metal with halogen vapor at between 450 and 550 C to form uranium halide vapor, contacting the uranium halide vapor in the presence of H/sub 2/ with a refractory surface at about 1400 C to thermally decompose the uranium halides and deposit molten U on the refractory surface and collecting the molten U dripping from the surface. The entire operation is carried on at a sub-atmospheric pressure of below 1 mm mercury.

Magel, T.T.; Brewer, L.




E-Print Network (OSTI)

Department of Integrated Systems Engineering, The Ohio State University, 1971 Neil Avenue,. 210 Baker Systems Building, Columbus, OH 43210...



Gasoline and Diesel Fuel Update (EIA)

66 66 Energy Information Administration / Natural Gas Annual 2002 Metric and Thermal Conversion Tables Metric Conversions Table B1 presents Summary Statistics for Natural Gas in the United States for 1998 through 2002 in metric units of mea- sure. Volumes are shown in cubic meters instead of cubic feet. Prices are shown in dollars per thousand cubic meters instead of dollars per thousand cubic feet. The data in this ta- ble have been converted from the data that appear in Table 1 of this report. Thermal Conversions Table B2 presents the thermal (Btu) conversion factors and the converted data for natural gas supply and disposition from 1998 through 2002. A brief documentation for the ther- mal conversion factors follows: · Marketed Production. The conversion factor is calcu- lated by adding the total heat content of dry production to the total heat content of extraction loss and dividing



Gasoline and Diesel Fuel Update (EIA)

An An overhead pipeline crossing on the White River near Newport, Arkansas. 237 Energy Information Administration / Natural Gas Annual 1998 Metric and Thermal Conversion Tables Metric Conversions Table B1 presents Summary Statistics for Natural Gas in the United States for 1994 through 1998 in metric units of mea- sure. Volumes are shown in cubic meters instead of cubic feet. Prices are shown in dollars per thousand cubic meters instead of dollars per thousand cubic feet. The data in this ta- ble have been converted from the data that appear in Table 1 of this report. Thermal Conversions Table B2 presents the thermal (Btu) conversion factors and the converted data for natural gas supply and disposition from 1994 through 1998. A brief documentation for the ther- mal conversion factors follows: · Marketed Production. The conversion factor is calcu- lated by adding the total heat content



E-Print Network (OSTI)

The spectral line-reversal method has been applied to determine population-temperatures within an (argon-calcium) plasma, generated by a reflected aerodynamic shock. The measurements have been made simultaneously on (a) normal bound-bound Ca 1 lines, (b) lines involving strongly auto-ionizing levels. The agreement of the two sets of values identifies the electron-temperature with the temperature characterizing the populations of the bound excited-states, giving improved confidence in the existence of complete ther-mal equilibrium in the reflected shock. The spectral-line reversal method has been previously applied to transitions between normal bound electronic states of neutral atoms, ions or molecules, (Gaydon and Hurle 1963; Charatis and Wilkerson 1962; Parkinson and Reeves 1964). The

W. R. S. Garton; W. H. Parkinson; E. M. Reeves



Monthly Energy Review - November 2000  

Gasoline and Diesel Fuel Update (EIA)

November 2000 November 2000 www.eia.doe.gov Energy Information Administration On the Web at: www.eia.doe.gov/mer Monthly Energy Review The Monthly Energy Review (MER) presents an overview of the Energy Information Administration's recent monthly energy statistics. The statisti cs cover the major activities of U.S. production, consumption, trade, stocks, and prices for petroleum, natural gas, coal, electricity, and nuclear energy. Also included are international energy and ther- mal and metric conversion factors. Publication of this report is in keeping with responsibilities given to the Energy Information Administration (EIA) in Public Law 95-91 (Department of Energy Organization Act), which states, in part, in Section 205(a)(2), that: The MER is intended for use by Members of Congress, Federal and State agencies, energy analysts, and the general public. EIA welcomes



Gasoline and Diesel Fuel Update (EIA)

Workmen Workmen adjust valves on a Panhandle Eastern pipeline. Energy Information Administration / Natural Gas Annual 1997 237 Metric and Thermal Conversion Tables Metric Conversions Table B1 presents Summary Statistics for Natural Gas in the United States for 1993 through 1997 in metric units of mea- sure. Volumes are shown in cubic meters instead of cubic feet. Prices are shown in dollars per thousand cubic meters instead of dollars per thousand cubic feet. The data in this ta- ble have been converted from the data that appear in Table 1 of this report. Thermal Conversions Table B2 presents the thermal (Btu) conversion factors and the converted data for natural gas supply and disposition from 1993 through 1997. A brief documentation for the ther- mal conversion factors follows: · Marketed Production. The conversion factor is calcu- lated by adding the total heat content of dry production



Gasoline and Diesel Fuel Update (EIA)

184 184 Energy Information Administration / Natural Gas Annual 2001 Metric and Thermal Conversion Tables Metric Conversions Table B1 presents Summary Statistics for Natural Gas in the United States for 1997 through 2001 in metric units of mea- sure. Volumes are shown in cubic meters instead of cubic feet. Prices are shown in dollars per thousand cubic meters instead of dollars per thousand cubic feet. The data in this ta- ble have been converted from the data that appear in Table 1 of this report. Thermal Conversions Table B2 presents the thermal (Btu) conversion factors and the converted data for natural gas supply and disposition from 1997 through 2001. A brief documentation for the ther- mal conversion factors follows: · Marketed Production. The conversion factor is calcu- lated by adding the total heat content of dry production to the total heat content of extraction loss and dividing



NLE Websites -- All DOE Office Websites (Extended Search)

advances, higher oil prices, advances, higher oil prices, reduced costs, and environmental needs have aligned to create a "perfect storm" of growth opportunity for a well-established method for enhancing oil recovery (EOR) in the U.S.: carbon dioxide (CO 2 ) flooding. The U.S. Department of Energy is sup- porting critical research to help America's oil producers take full advantage of that growth opportunity (see table on p. 3). CO 2 flooding is the fastest-growing EOR technique in the U.S. While production vol- umes and the number of projects for ther- mal, chemical, and other EOR processes have fallen off sharply since 1980, the num- ber of CO 2 projects has more than tripled, to more than 70 projects as of yearend 2004. Meanwhile, CO 2 production volumes have jumped twentyfold since the early 1980s



Gasoline and Diesel Fuel Update (EIA)

215 215 Energy Information Administration / Natural Gas Annual 2000 Metric and Thermal Conversion Tables Metric Conversions Table B1 presents Summary Statistics for Natural Gas in the United States for 1996 through 2000 in metric units of mea- sure. Volumes are shown in cubic meters instead of cubic feet. Prices are shown in dollars per thousand cubic meters instead of dollars per thousand cubic feet. The data in this ta- ble have been converted from the data that appear in Table 1 of this report. Thermal Conversions Table B2 presents the thermal (Btu) conversion factors and the converted data for natural gas supply and disposition from 1996 through 2000. A brief documentation for the ther- mal conversion factors follows: · Marketed Production. The conversion factor is calcu- lated by adding the total heat content of dry production to the total heat content of extraction loss and dividing


An nual En ergy Re view 2001  

Gasoline and Diesel Fuel Update (EIA)

An nual En ergy Re view 2001 An nual En ergy Re view 2001 The An nual En ergy Re view (AER) pres ents the En ergy In for ma tion Ad min - is tra tion's his tor i cal en ergy sta tis tics. For many se ries, sta tis tics are given for ev ery year from 1949 through 2001. The sta tis tics, ex pressed in ei ther phys i cal units or Brit ish ther mal units, cover all ma jor en ergy ac tiv i ties, in - clud ing con sump tion, pro duc tion, trade, stocks, and prices, for all ma jor en - ergy com mod i ties, in clud ing fos sil fu els, elec tric ity, and re new able en ergy sources. Pub li ca tion of this re port is re quired un der Pub lic Law 95-91 (De part ment of En ergy Or ga ni za tion Act), Sec tion 205(c), and is in keep ing with re spon - si bil i ties given to the En ergy In for ma tion Ad min is tra tion un der Sec tion


Op%mal Scheduling of Combined Heat and Power (CHP) Plants1 under Time-sensi%ve Electricity Prices  

E-Print Network (OSTI)

) Co-genera8on of electricity and heat Storage Microgrids2 1. "Systema%c u. A microgrid refers to a "local grid" that can work autonomously from the central

Grossmann, Ignacio E.


Robust Critical Node Selection by Benders Decomposition  

E-Print Network (OSTI)

munication, supply chain design, and disease propagation prevention. In practice , the ... (Ghaddar et al., 2011; Fan and Pardalos, 2010b). Arulselvan et al.

Note: This page contains sample records for the topic "ther mal decomposition" from the National Library of EnergyBeta (NLEBeta).
While these samples are representative of the content of NLEBeta,
they are not comprehensive nor are they the most current set.
We encourage you to perform a real-time search of NLEBeta
to obtain the most current and comprehensive results.



E-Print Network (OSTI)

Jun 11, 2009 ... in Section 4.3), if the row and column spaces of B* are incoherent with respect to the standard basis, i.e., the row/column spaces are not...


Sparse Approximation via Penalty Decomposition Methods  

E-Print Network (OSTI)

The error rate of (v, w) for ... In addition, the average logistic loss, the error rate and the CPU time (in seconds) for both ...... decision making in the human brain.


Numerical study of thermal decomposition and pressure ...  

Science Conference Proceedings (OSTI)

... [6] A. Atreya, Pyrolysis, ignition and flame ... [10] MG Gronli, A theoretical and experimental study on the thermal degradation of biomass, Ph.D. thesis ...



Triangular Decompositions for Solving Parametric ... - CECM  

E-Print Network (OSTI)

May 9, 2008 ... possible therapy against prion diseases. ? Compounds that increase the turnover rate k2 would be the best therapeutic strategy against prion...


Spinodal phase decomposition with dissipative fluid dynamics  

SciTech Connect

The spinodal amplification of density fluctuations is treated perturbatively within dissipative fluid dynamics including not only shear and bulk viscosity but also heat conduction, as well as a gradient term in the local pressure. The degree of spinodal amplification is calculated along specific dynamical phase trajectories and the results suggest that the effect can be greatly enhanced by tuning the collision energy so that maximum compression occurs inside the region of spinodal instability.

Randrup, J., E-mail: JRandrup@LBL.gov [Lawrence Berkeley Laboratory, Nuclear Science Division (United States)




SciTech Connect

A series of tests was conducted on a laundry waste containing radtoactive materials, using an activated sludge process, to determine whether the organic materials which would interfere with a process of flocculation and adsorption could be removed along with a substantial quantity of the radioactive material. A trickling filter was used to treat the waste over a long period of time. The filter removed nearly all of the activity and most of the organic compounds. However, sufficient residual activity remained in the effluent to require either two-stage operation or final processing by flocculation and adsorption. Recirculation was beneficial. A supplementary bacteria feed of ammonium nitrate was necessary. (auth)

Wiederhold, E.W.



Decomposition Of Invertible And Conformal Transformations  

E-Print Network (OSTI)

In this article, we give a geometric description for any invertible operator on a finite dimensional inner--product space. With the aid of such a description, we are able to decompose any given conformal transformation as a product of planar rotations, a planar rotation or reflection and a scalar transformation. Also, we are able to conclude that an orthogonal transformation is a product of planar rotations and a planar rotation or a reflection.

Srikanth K. V.; Raj Bhawan Yadav



Decomposition of radiational effects of model feedbacks  

SciTech Connect

Three separate doubled CO/sub 2/ experiments with the statistical dynamic model are used to illustrate efforts to study the climate dynamics, feedbacks, and interrelationships of meteorological parameters by decomposing and isolating their individual effects on radiation transport.

Ellsaesser, H.W.; MacCracken, M.C.; Potter, G.L.; Mitchell, C.S.



Spinodal decomposition in multicomponent polymer blends  

Science Conference Proceedings (OSTI)

... 10091, Ref. 28. 53 In previous studies by the Exxon/Princeton group on blends of ethylene butene copolymers, Ref. 54 it ...



Spinodal Decomposition in Duplex Stainless Steel  

Science Conference Proceedings (OSTI)

Research supported by ORNL's Shared Research Equipment (SHaRE) User Facility, which is ... CERMET Fuels for Ultra High Temperature Reactor Applications.


Retrospective and Prospective Decomposition Analysis of Chinese...  

NLE Websites -- All DOE Office Websites (Extended Search)

Use, 1995-2020 Publication Type Report LBNL Report Number LBNL-6028E Year of Publication 2013 Authors Hasanbeigi, Ali, Lynn K. Price, Cecilia Fino-Chen, Hongyou Lu, and Jing Ke...


Thermal Decomposition Reaction Mechanisms and Kinetics of ...  

Science Conference Proceedings (OSTI)

Comparison between Bio-composite Based on Green HDPE/ Brazil Nut ... In Situ X-ray Diffraction Study of Recovery and Recrystallisation in ODS Ferritic Steel Powder ... Polypropylene Nanocomposites Reinforced with Organophilic Clay and...



E-Print Network (OSTI)

Higle and Sen [HS96] introduced a stochastic cutting plane method for ..... (ii) dual feasibility: {(u, v) : u ? Rn1,1 Rn2,1 ,v ? Rn2,2 ,ct + At ut + B2,2?tv = 0, t = 1,...


Separable Approximations and Decomposition Methods for the ...  

E-Print Network (OSTI)

Aug 30, 2013 ... include multicommodity network flow problems, financial planning problems ...... The second statement follows directly by applying Lemma 9.


Optimization Online - A PARALLEL interior point decomposition ...  

E-Print Network (OSTI)

Dec 4, 2006... and decomposed and distributed subproblems (smaller SDPs) in a parallel and distributed high performance computing environment.


Additive decomposition of fuzzy pre-orders  

Science Conference Proceedings (OSTI)

Fuzzy pre-orders (reflexive and min-transitive fuzzy relations) constitute an important class of fuzzy relations. By means of an indifference generator, a fuzzy pre-order can be decomposed additively into two parts: an indifference relation and a strict ... Keywords: Transitivity, Frank t-norm, Fuzzy pre-order, Indifference generator, Indifference relation, Nilpotent minimum, Strict preference relation

Susana Daz; Bernard De Baets; Susana Montes



Model combination by decomposition and aggregation  

E-Print Network (OSTI)

This thesis focuses on a general problem in statistical modeling, namely model combination. It proposes a novel feature-based model combination method to improve model accuracy and reduce model uncertainty. In this method, ...

Xu, Mingyang, 1974-



Lagrangean Decomposition for Mean-Variance Combinatorial ...  

E-Print Network (OSTI)

potential cost vectors is given and aim at minimizing the value of a solution in its worst ... Ministry of Economics and Technology within the 6th Energy Research ... problem can be solved in polynomial time, as shown by Nikolova [4], who also.


Functional Decomposition: Modeling, Analysis, and Structure  

Science Conference Proceedings (OSTI)

Table 5   Examples of common energy flows...Table 5 Examples of common energy flows displacement power deflection/strain electricity human force friction force solar energy light rotation time vibration magnetism pneumatic power oscillating force sound (acoustic) linear force stress torque heat noise hydraulic power pressure...


Optimization Online - Finitely Convergent Decomposition Algorithms ...  

E-Print Network (OSTI)

Jun 27, 2013 ... Citation: Technical Report, Department of Integrated Systems Engineering, The Ohio State University. Download: [PDF]. Entry Submitted: 06/27/...

Note: This page contains sample records for the topic "ther mal decomposition" from the National Library of EnergyBeta (NLEBeta).
While these samples are representative of the content of NLEBeta,
they are not comprehensive nor are they the most current set.
We encourage you to perform a real-time search of NLEBeta
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Optimization Online - Decomposition Algorithms with Parametric ...  

E-Print Network (OSTI)

Feb 23, 2012 ... Citation: Technical Report, Department of Integrated Systems Engineering, The Ohio State University. Download: [PDF]. Entry Submitted: 02/23/...



E-Print Network (OSTI)

As special cases, our results imply the almost-sure convergence of SDDP, CUPPS and ... the OSIRIS Department at EDF R&D, France. The authors also ...... A. B. Philpott, University of Auckland, Dept. of Engineering Science, New. Zealand.


Decomposition of overlapping protein complexes: A graph ...  

E-Print Network (OSTI)

Apr 26, 2006 ... tion (COD), that given a protein interaction network iden- tifies its ... show that the COD method opens a new avenue for the analysis of protein...



E-Print Network (OSTI)

basis of the available information, namely the past observations (non- anticipativity constraint). The objective is to minimize the sum of the units' production costs.


COG: local decomposition for rare class analysis  

Science Conference Proceedings (OSTI)

Given its importance, the problem of predicting rare classes in large-scale multi-labeled data sets has attracted great attention in the literature. However, rare class analysis remains a critical challenge, because there is no natural way developed ... Keywords: K-means clustering, Local clustering, Rare class analysis, Support vector machines (SVMs)

Junjie Wu; Hui Xiong; Jian Chen



Particle-Field Decomposition and Domain Decomposition in Parallel Particle-In-Cell Beam Dynamics Simulation  

E-Print Network (OSTI)

.CI(v) (a)} Figure 1: Syntax and Semantics for the ALCF Description Logic migrate to other entities) in ALCF--where F extends ALC with the future temporal modality--and then proving that such a KB in ALCF can be captured by an ERV T diagram. The paper is organized as follows. The temporal DL ALCF

Li, Xiaoye Sherry


Bi[NC{sub 5}H{sub 3}(CO{sub 2}){sub 2}](OH{sub 2}){sub x}F (x=1 and 2): New one-dimensional Bi-coordination materials-Reversible hydration and topotactic decomposition to {alpha}-Bi{sub 2}O{sub 3}  

SciTech Connect

Two one-dimensional bismuth-coordination materials, Bi[NC{sub 5}H{sub 3}(CO{sub 2}){sub 2}](OH{sub 2}){sub x}F (x=1 and 2), have been synthesized by hydrothermal reactions using Bi{sub 2}O{sub 3}, 2,6-NC{sub 5}H{sub 3}(CO{sub 2}H){sub 2}, HF, and water at 180 Degree-Sign C. Structures of the two materials were determined by single-crystal X-ray diffraction. Although they have different crystal structures, both Bi-organic materials shared a common structural motif, a one-dimensional chain structure consisting of Bi{sup 3+} cations and pyridine dicarboxylate linkers. Detailed structural analyses include infrared spectroscopy, thermogravimetric analysis, and reversible hydration reactions for the coordinated water molecules were reported. Also, thermal decomposition of the rod-shaped Bi[NC{sub 5}H{sub 3}(CO{sub 2}){sub 2}](OH{sub 2})F single crystals at 800 Degree-Sign C led to {alpha}-Bi{sub 2}O{sub 3} that maintained the same morphology of the original crystals. - Graphical abstract: Calcination of the Bi[NC{sub 5}H{sub 3}(CO{sub 2}){sub 2}](OH{sub 2})F single crystals at 800 Degree-Sign C results in the {alpha}-Bi{sub 2}O{sub 3} rods that maintain the original morphology of the crystals. Highlights: Black-Right-Pointing-Pointer Synthesis of one-dimensional chain Bi-organic frameworks. Black-Right-Pointing-Pointer Reversible hydration reactions of Bi[NC{sub 5}H{sub 3}(CO{sub 2}){sub 2}](OH{sub 2})F. Black-Right-Pointing-Pointer Topotactic decomposition maintaining the same morphology of the original crystals.

Jeon, Hye Rim [Department of Chemistry Education, Chung-Ang University, Seoul 156-756 (Korea, Republic of); Lee, Dong Woo [Department of Chemistry, Chung-Ang University, Seoul 156-756 (Korea, Republic of); Ok, Kang Min, E-mail: kmok@cau.ac.kr [Department of Chemistry, Chung-Ang University, Seoul 156-756 (Korea, Republic of)



Dynamic thermal management in chip multiprocessor systems  

E-Print Network (OSTI)

Recently, processor power density has been increasing at an alarming rate result- ing in high on-chip temperature. Higher temperature increases current leakage and causes poor reliability. In our research, we rst propose a Predictive Dynamic Ther- mal Management (PDTM) based on Application-based Thermal Model (ABTM) and Core-based Thermal Model (CBTM) in the multicore systems. Based on predicted temperature from ABTM and CBTM, the proposed PDTM can maintain the system temperature below a desired level by moving the running application from the possi- ble overheated core to the future coolest core (migration) and reducing the processor resources (priority scheduling) within multicore systems. Furthermore, we present the Thermal Correlative Thermal Management (TCDTM), which incorporates three main components: Statistical Workload Estimation (SWE), Future Temperature Estima- tion Model (FTEM) and Temperature-Aware Thread Controller (TATC), to model the thermal correlation eect and distinguish the thermal contributions from appli- cations with dierent workload behaviors at run time in the CMP systems. The pro- posed PDTM and TCDTM enable the exploration of the tradeo between throughput and fairness in temperature-constrained multicore systems.

Liu, Chih-Chun



Monthly Energy Review - January 2001  

Gasoline and Diesel Fuel Update (EIA)

January January 2001 www.eia.doe.gov Energy Information Administration On the Web at: www.eia.doe.gov/mer E n e r g y P l u g : E n e r g y E d u c a t i o n R e s o u r c e s M o r e o n R e n e w a b l e E n e r g y ( S e e N e w A p p e n d i x E ) Monthly Energy Review The Monthly Energy Review (MER) presents an overview of the Energy Information Administration's recent monthly energy statistics. The statistics cover the major activities of U.S. production, consumption, trade, stocks, and prices for petroleum, natural gas, coal, electricity, and nuclear energy. Also included are international energy and ther- mal and metric conversion factors. Publication of this report is in keeping with responsibilities given to the Energy Information Administration (EIA) in Public Law 95-91 (Department of Energy Organization Act), which states, in part, in Section 205(a)(2), that: The MER is intended for use by Members of Congress, Federal


TRENDS in Neurosciences Vol.24 No.9 September 2001 http://tins.trends.com  

E-Print Network (OSTI)

-associated virus gene transfer. Gene Ther. 5, 1604­1611 62 Corti, O. et al. (1999) Long-term doxycycline

Schafe, Glenn


Spacial and objective decompositions for very large SCAPs  

SciTech Connect

This paper considers the single commodity allocation problem (SCAP) for disaster recovery, a fundamental problem faced by all populated areas. SCAPs are complex stochastic optimization problems that combine resource allocation, warehouse routing, and parallel fleet routing. Moreover, these problems must be solved under tight run-time constraints to be practical in real-world disaster situations. This paper revisits the SCAP algorithm proposed in and proposes new storage allocation models that are necessary to enable the algorithm to scale to problem sizes of three orders of magnitude greater (250, 500, 1000 storage locations). The new algorithms are validated on large-scale hurricane disaster scenarios generated by Los Alamos National Laboratory using state-of-the-art disaster simulation tools.

Bent, Russell W [Los Alamos National Laboratory; Van Hentenryck, Pascal [BROWN UNIV.; Coffrin, Carleton [BROWN UNIV.



Methane Decomposition: Production of Hydrogen and Carbon Filaments  

E-Print Network (OSTI)

) is an obvious source for hydrogen. Steam reforming of methane represents the current trend for hydrogen. The process required to eliminate CO from the hydrogen produced in the steam reformer is briefly described below. The steam reformer products containing B10% CO (depending on the feedstock and conditions

Goodman, Wayne


A Local Convergence Analysis of Bilevel Decomposition Algorithms  

E-Print Network (OSTI)

in charge of the analysis of the aerodynamic system and another in charge of the ...... MHz Pentium III, 256MB RAM and running under WINDOWS 2000.


Decomposition methods based on projected gradient for network ...  

E-Print Network (OSTI)

our convergence analysis. 2 Inexact .... We remark that the convergence analysis of Algorithm IDA can not be derived from ..... machine with 3GByte of RAM.


Crude Oil Price Prediction Based On Multi-scale Decomposition  

Science Conference Proceedings (OSTI)

A synergetic model (DWT-LSSVM) is presented in this paper. First of all, the raw data is decomposed into approximate coefficients and the detail coefficients at different scales by discrete wavelet transforms (DWT). These coefficients obtained by previous ... Keywords: crude oil price, least squares vector machines, wavelet transform

Yejing Bao; Xun Zhang; Lean Yu; Shouyang Wang



Direct decompositions of non-algebraic complete lattices  

E-Print Network (OSTI)

For a given complete lattice L, we investigate whether L can be decomposed as a direct product of directly indecomposable lattices. We prove that this is the case if every element of L is a join of join-irreducible elements and dually, thus extending to non-algebraic lattices a result of L. Libkin. We illustrate this by various examples and counterexamples.

Friedrich Wehrung



Method for increasing steam decomposition in a coal gasification process  

SciTech Connect

The gasification of coal in the presence of steam and oxygen is significantly enhanced by introducing a thermochemical water-splitting agent such as sulfuric acid, into the gasifier for decomposing the steam to provide additional oxygen and hydrogen usable in the gasification process for the combustion of the coal and enrichment of the gaseous gasification products. The addition of the water-splitting agent into the gasifier also allows for the operation of the reactor at a lower temperature.

Wilson, Marvin W. (Fairview, WV)



Benders decomposition for the hop-constrainted survivable network ...  

E-Print Network (OSTI)

level of transmission reliability in the sense that the probability that all the transmission lines in the path are working ...... availability constraints. Comput. & OR 15...


A Lagrangean Relaxation and Decomposition Algorithm for the ...  

E-Print Network (OSTI)

of predefined servers and routing the user program requests to available resources. .... known uncapacitated facility location problem (see [1]) with I as the set of...


Copositivity detection by difference-of-convex decomposition and ? ...  

E-Print Network (OSTI)

Jan 13, 2010 ... belief in the community, that it is easier to detect violation of copositivity than to obtain a positive certificate for that ..... Proof The relation s = r.

Note: This page contains sample records for the topic "ther mal decomposition" from the National Library of EnergyBeta (NLEBeta).
While these samples are representative of the content of NLEBeta,
they are not comprehensive nor are they the most current set.
We encourage you to perform a real-time search of NLEBeta
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Heterogeneous Decomposition of Degree-Balanced Search Trees  

E-Print Network (OSTI)

-Fluoride Thorium Reactor (LFTR) is a thorium reactor concept that uses a chemically-stable fluoride salt from being used in solid- fueled reactors. The fluid fuel in LFTR is also easy to process and to separate useful fission products, both stable and radioactive. LFTR also has the potential to destroy


A Decomposition of Feedback Contributions to Polar Warming Amplification  

Science Conference Proceedings (OSTI)

Polar surface temperatures are expected to warm 2-3 times faster than the global mean surface temperature; a phenomenon referred to as polar warming amplification. Therefore, understanding individual process contributions to the polar warming is ...

Patrick C. Taylor; Ming Cai; Aixue Hu; Jerry Meehl; Warren Washington; Guang J. Zhang


Solid Double-Layered Hydroxide Catalysts for Lignin Decomposition  

Biomass-based fuel and chemical production has shown significant promise. However, costs and utilization rates of biomass have still been a challenge ...


California Energy Balance Update and Decomposition Analysis for...  

NLE Websites -- All DOE Office Websites (Extended Search)

News Latest News Videos Community Relations Past Projects Rebuilding Together Energy Teams Events Past Events For The Media Seminars Past Seminars Speakers Distinguished...


Parallel Space Decomposition of the Mesh Adaptive Direct Search ...  

E-Print Network (OSTI)

1-0302, the Boeing Company, ExxonMobil Upstream Research Company, and the first and third authors were supported by the Consortium for Research and...


Optimization Online - Two-Stage Decomposition Algorithms for ...  

E-Print Network (OSTI)

Sep 21, 2013 ... exxonmobil.com) Ahmet Keha(ahmet.b.keha ***at*** exxonmobil.com) George Nemhauser(gnemhaus ***at*** isye.gatech.edu)


Hierarchy decomposition for faster user equilibria on road networks  

Science Conference Proceedings (OSTI)

The road traffic of an entire day for a certain region can be understood as a flow with sources and sinks on the road network. Traffic has the tendency to evade regularly clogged roads and other bottlenecks, especially with modern on-board navigation ...

Dennis Luxen; Peter Sanders



Linear-time complete positivity detection and decomposition of ...  

E-Print Network (OSTI)

Recall that a circular graph is a graph consisting of a single cycle. ..... This combined with the fact that the diagonal entries of X are nonnegative gives us the ...


Data decomposition of Monte Carlo particle transport simulations...  

NLE Websites -- All DOE Office Websites (Extended Search)

to achieve for a problem with non-uniform particle densities (such as nuclear reactor). The original intent of 2 was to simply quantify the penalty from these...


Method of generating hydrogen by catalytic decomposition of water  

DOE Green Energy (OSTI)

A method for producing hydrogen includes providing a feed stream comprising water; contacting at least one proton conducting membrane adapted to interact with the feed stream; splitting the water into hydrogen and oxygen at a predetermined temperature; and separating the hydrogen from the oxygen. Preferably the proton conducting membrane comprises a proton conductor and a second phase material. Preferable proton conductors suitable for use in a proton conducting membrane include a lanthanide element, a Group VIA element and a Group IA or Group IIA element such as barium, strontium, or combinations of these elements. More preferred proton conductors include yttrium. Preferable second phase materials include platinum, palladium, nickel, cobalt, chromium, manganese, vanadium, silver, gold, copper, rhodium, ruthenium, niobium, zirconium, tantalum, and combinations of these. More preferably second phase materials suitable for use in a proton conducting membrane include nickel, palladium, and combinations of these. The method for generating hydrogen is preferably preformed in the range between about 600.degree. C. and 1,700.degree. C.

Balachandran, Uthamalingam (Hinsdale, IL); Dorris, Stephen E. (LaGrange Park, IL); Bose, Arun C. (Pittsburgh, PA); Stiegel, Gary J. (Library, PA); Lee, Tae-Hyun (Naperville, IL)



Implementation of a block-decomposition algorithm for solving large ...  

E-Print Network (OSTI)

May 12, 2011 ... make them go to zero according to the same order of magnitude. The fourth idea is proper choices of the initial primal and dual iterates, as well...


Application of a smoothing technique to decomposition in convex ...  

E-Print Network (OSTI)

order of magnitude compared to Nesterov's accelerated scheme. ... for the general case which improves with one order of magnitude the complexity of the...


A Numerical Algorithm for Block-Diagonal Decomposition of Matrix ...  

E-Print Network (OSTI)

52, Department of Mathematical Informatics, University of Tokyo, and also as ... necessary to answer the fundamental theoretical question of the existence of ...... [33] H. Wolkowicz, R. Saigal and L. Vandenberghe, Handbook of Semidefi-.


Interactions of Lamellar and Nonlamellar Decomposition Modes in U ...  

Science Conference Proceedings (OSTI)

Materials Genomics Past & Future: From CALPHAD to Flight Microstructure Stability of Multi-Materials Systems with Adaptive Microstructures Modeling of...


On Spinodal Decomposition and The 1967 Institute of Metals ...  

Science Conference Proceedings (OSTI)

Sep 1, 1998 ... Product In Stock. Description The stability of a solid solution to all infinitesimal composition fluctuations is considered, taking surface tension...


Litter pool sizes, decomposition, and nitrogen dynamics in Spartina ...  

Science Conference Proceedings (OSTI)

Mar 8, 2008 ... amounts of litter may be at aerial and belowground positions. This study ...... Chen JK (2003) Comprehensive surveys on Shanghai Jiuduansha.


Decomposition of Zinc Ferrite in Zinc Leaching Residue by ...  

Science Conference Proceedings (OSTI)

Basic Research of Direct Pyrolysis Performance of MgCl2 in Molten State for New Process of ... Strengthening Sintering of Refractory Iron Ore with Biomass Fuel.


Efficient Decompositional Model-Checking for Regular Timing Diagrams  

E-Print Network (OSTI)

There is a growing need to make verification tools easier to use. A solution that does not require redesigning the tool is to construct front-ends providing specification notations that are close to those used in practice. Timing diagrams are such a widely used graphical notation, one that is often more appealing than a "linear" textual notation. This paper introduces a class of timing diagrams called Regular Timing Diagrams (RTDs). RTDs have a precise syntax and a formal semantics that is simple and corresponds to common usage. In addition, RTDs have an inherent compositional structure, which is exploited to provide an efficient algorithm for model-checking an RTD with respect to a system description. The algorithm has time complexity that is a small polynomial in the size of the diagram and linear in the size of the structure. We demonstrate the applicability of our algorithms by verifying that a master-slave system satisfies its specification RTDs.

Nina Amla; E. Allen Emerson; Kedar S. Namjoshi



Decomposition of tritiated water with solid oxide electrolysis cell  

Science Conference Proceedings (OSTI)

A new concept for decomposing tritiated water with a solid oxide electrolysis cell is proposed. This method is essentially free from problems such as large tritium inventory, radiation damage, and solid waste, so it is expected to be a promising one. Preliminary experiments with the cell using stabilized zirconia with 8 mol% CaO were performed. Water vapor was decomposed electrically and cell voltage agreed well with the theoretical value.

Konishi, S.; Naruse, Y.; Ohno, H.; Yoshida, H.



Generalized Hypertree Decompositions: NP-Hardness and Tractable Variants  

E-Print Network (OSTI)

) as initiator and Solkane 365mfc (1,1,1,3,3-pentafluo- robutane) as solvent at 50 °C. The pentafluorobutane with 47.0 g (0.245 mol) of 1a, 30 mL of Solkane 365 mfc and 2.23 g of Perkadox 16 N initiator. The vessel. (Caution! Guard against static electricity dis- charges by appropriate grounding during this process

Schwentick, Thomas

Note: This page contains sample records for the topic "ther mal decomposition" from the National Library of EnergyBeta (NLEBeta).
While these samples are representative of the content of NLEBeta,
they are not comprehensive nor are they the most current set.
We encourage you to perform a real-time search of NLEBeta
to obtain the most current and comprehensive results.



E-Print Network (OSTI)

and the membrane systems selected, additional equipment such as knockout drums, coalescing filters, and guard beds far and modeling predictions is quite reasonable. Methane 20% H2S/ 80%N2 Air MFC MFC MFC Proceedings of the 2002 U.S. DOE Hydrogen Program Review NREL/CP-610-32405 #12;MFC-3 MFC-1 MFC-2 N2 H2S O2


A Decomposition of Global Linkages in Financial Markets Over Time  

E-Print Network (OSTI)

This paper tests if real and financial linkages between countries can explain why movements in the world's largest markets often have such large effects on other ...

Forbes, Kristen



Method for increasing steam decomposition in a coal gasification process  

DOE Patents (OSTI)

The gasification of coal in the presence of steam and oxygen is significantly enhanced by introducing a thermochemical water- splitting agent such as sulfuric acid, into the gasifier for decomposing the steam to provide additional oxygen and hydrogen usable in the gasification process for the combustion of the coal and enrichment of the gaseous gasification products. The addition of the water-splitting agent into the gasifier also allows for the operation of the reactor at a lower temperature.

Wilson, M.W.



Data-driven Kriging models based on FANOVA-decomposition  

Science Conference Proceedings (OSTI)

Jul 1, 2011 ... Springer Science+Business Media, LLC 2011. Abstract Kriging models have ..... ( since the continuity of f implies the continuity of the ?Cl's).


Flows and Decompositions of Games: Harmonic and Potential Games  

E-Print Network (OSTI)

142154, Washington, DC, USA, 2005. IEEE Computer Society. [15] G.H. Golub and C.F. Van Loan. Matrix computations. Johns Hopkins University Press, 1996.


Forest Floor Decomposition Following Hurricane Litter Inputs in  

E-Print Network (OSTI)

ACPD 7, 12573­12616, 2007 Clouds and aerosols in Puerto Rico J. D. Allan et al. Title Page Abstract Discussions Clouds and aerosols in Puerto Rico ­ a new evaluation J. D. Allan 1,2 , D. Baumgardner 3 , G. B Institute for Tropical Ecosystem Studies, University of Puerto Rico, San Juan, Puerto Rico 5 Institute

Ostertag, Rebecca


Noise Suppression and Spectral Decomposition for State-Dependent Noise  

E-Print Network (OSTI)

2 (Xk) + 2 (Xk) , (58) the sum of the variance of H(Xk) and the average variance of the added white the underlying state to fluctuate [J. M. G. Vilar and J. M. Rub´i, Phys. Rev. Lett. 86, 950 (2001)]. This paper conduction discussed in the original paper by Vilar and Rub´i. PACS numbers: 05.40.Ca, 05.45.Tp, 02.70.Hm

Walton, Brian


wavelet decomposition via the standard tableau simplex method  

E-Print Network (OSTI)

[Selesnick et al, 2004], and digital filter design [Hu & Rabiner, 1972; Steiglitz et al, ... problems even with interior point methods [Bertsimas & Tsitsiklis, 1997, p.


A conic interior point decomposition approach for large scale ...  

E-Print Network (OSTI)

Boyd & Vandenberghe [7] discuss a variety of applications of conic programming in science and ... optimization can be found in Krishnan & Terlaky [32].



E-Print Network (OSTI)

[18] M. Fukushima, Application of the alternating direction method of multipliers to separable convex programming problems, Computational Optimization and...


A scenario decomposition algorithm for 0-1 stochastic programs  

E-Print Network (OSTI)

Jun 26, 2013... and impose a time limit of 5000 seconds. All computations are done using the boyle cluster in the ISyE High Performance Computing Facility.


An interior-point Lagrangian decomposition method for separable ...  

E-Print Network (OSTI)

network flows) [1,2], process system engineering (e.g. distributed model predictive con- trol) [3] ...... i ) arithmetic operations. Note however that in .... with application to power system automatic generation control, IEEE Transactions on Control...


Expected Future Value Decomposition Based Bid Price Generation ...  

E-Print Network (OSTI)

EFV curves are used to define bid prices on bundles of resources directly, ... bid price is generated for each bundle, and a request to purchase the bundle is...


Decomposition Algorithms for Stochastic Programming on a Computational Grid  

Science Conference Proceedings (OSTI)

We describe algorithms for two-stage stochastic linear programming with recourse and their implementation on a grid computing platform. In particular, we examine serial and asynchronous versions of the L-shaped method and a trust-region method. The parallel ...

Jeff Linderoth; Stephen Wright



Northern High-Latitude Heat Budget Decomposition and Transient Warming  

Science Conference Proceedings (OSTI)

Climate models simulate a wide range of climate changes at high northern latitudes in response to increased CO2. They also have substantial disagreement on projected changes of the Atlantic meridional overturning circulation (AMOC). Here, two ...

Maria A. A. Rugenstein; Michael Winton; Ronald J. Stouffer; Stephen M. Griffies; Robert Hallberg



On parallelizing dual decomposition in stochastic integer programming  

E-Print Network (OSTI)

Oct 9, 2012 ... in applications in energy, routing, scheduling, production planning, and others, where parts .... Solve (7) for j = 1,...,r, saving optimal value Dj(?K.


Reaction Pathways of Methane Decomposition on Cu Surface from ...  

Science Conference Proceedings (OSTI)

About this Abstract. Meeting, 2011 TMS Annual Meeting & Exhibition. Symposium , Computational Thermodynamics and Kinetics. Presentation Title, Reaction...


Integrated boiler, superheater, and decomposer for sulfuric acid decomposition  

DOE Patents (OSTI)

A method and apparatus, constructed of ceramics and other corrosion resistant materials, for decomposing sulfuric acid into sulfur dioxide, oxygen and water using an integrated boiler, superheater, and decomposer unit comprising a bayonet-type, dual-tube, counter-flow heat exchanger with a catalytic insert and a central baffle to increase recuperation efficiency.

Moore, Robert (Edgewood, NM); Pickard, Paul S. (Albuquerque, NM); Parma, Jr., Edward J. (Albuquerque, NM); Vernon, Milton E. (Albuquerque, NM); Gelbard, Fred (Albuquerque, NM); Lenard, Roger X. (Edgewood, NM)



Triangular Decomposition of Semi-Algebraic Systems - CECM  

E-Print Network (OSTI)

and the experimental results illustrate their effectiveness. Categories and Subject ... has at least one real zero. The zero set of R, denoted by ZR(R), is defined as the set ...... in Computer Science, 33:515?532, 1975. [12] X. Dahan, A. Kadri, and ...


Spinodal decomposition in particle-laden Landau-Levich flow  

E-Print Network (OSTI)

We examine Landau-Levich coating by a suspension of spherical particles. For particles larger than the liquid film thickness, capillary forces lead to self-assembly of monolayer particle aggregates. We observe two regimes ...

Kao, Justin C. T.

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National Nuclear Security Administration (NNSA)

of theoretical efficiencies with domain overloading * Problem has s8 quadrature with 32 energy groups, fourfold symmetry * Corresponds to timing of 1200 seconds for 100%...


Tiling Models for Spatial Decomposition in AMTRAN John Compton...  

National Nuclear Security Administration (NNSA)

sweeps still presents a significant challenge in obtaining good spatial parallel efficiency. Block boundary Figure 1. Block boundaries must line Figure 2. Zoning changes...


Pyro-decomposition of Pyrite and Arsenopyrite for Sulphur and ...  

Science Conference Proceedings (OSTI)

About this Abstract. Meeting, Materials Science & Technology 2013. Symposium, Ralph Lloyd Harris Memorial Symposium. Presentation Title...


Two Extra Components in the Brier Score Decomposition  

Science Conference Proceedings (OSTI)

The Brier score is widely used for the verification of probability forecasts. It also forms the basis of other frequently used probability scores such as the rank probability score. By conditioning (stratifying) on the issued forecast ...

D. B. Stephenson; C. A. S. Coelho; I. T. Jolliffe



Decomposition Algorithms with Parametric Gomory Cuts for Two ...  

E-Print Network (OSTI)

Integrated Systems Engineering. 210 Baker Systems, 1971 Neil Avenue. The Ohio State University, Columbus OH 43210. {gade.6,kucukyavuz.2,sen.22}@osu.


The Latent Process Decomposition of cDNA Microarray Datasets  

E-Print Network (OSTI)

Rogers,S. Girolami,M. Campbell,C. Breitling,R. IEEE/ACM Transactions on Computational Biology and Bioinformatics, Volume 2, Number 2. pp 143-156 IEEE Computer Society Press

Rogers, S.; Girolami, M.


Domain Decomposition for Flow in Porous Media with Fractures  

E-Print Network (OSTI)

this article. The fractures that we are concerned with are filled with debris so we consider them as porous media. The permeability in the fracture is large in comparison with that in the surrounding rock, so the fluid circulates faster in the fracture. Thus we have a highly heterogeneous porous medium. One idea that has been used to take this into account is to treat the fracture as an interface and to assume that the fluid that flows into the fracture stays in the fracture. In fact, in many models the contrast in permeabilities is of such an order that the flow outside of the fracture is neglected. However, here we are concerned with the situation in which the exchange between the fracture and the rest of the domain is significant. To deal with this case we need to model both what happens in the fracture and what happens outside the fracture. One

Clarisse Alboin; Jerome Jaffre; Jean Roberts; Christophe Serres



A Branch-and-Cut Decomposition Algorithm for Solving Chance ...  

E-Print Network (OSTI)

Pk are described as in (2), this model doesn't consider costs associated with these recourse actions ...... approach to stochastic programming of heating oil.


Two-Stage Decomposition Algorithms for Single Product Maritime ...  

E-Print Network (OSTI)

natural gas (LNG) [14, 16, 25], and vacuum gas oil (VGO) [13], have been studied .... others like it, inter-regional travel times and costs are at least an order of...


Dual Superconductivity from Yang-Mills Theory via Connection Decomposition  

E-Print Network (OSTI)

We derive an Abelian-Higgs-like action from SU(2) Yang-Mills theory via monopole-condensation assumption. Abelian projection as well as chromo-'electric-magnetic' duality are naturally realized by separating the small off-diagonal gluon part from diagonal gluon field according to the order of inverse coupling constant($1/g$). It is shown that Abelian dominance can follow from infrared behavior of ranning coupling constant and the mass generation of chromo-electric field as well as off-diagonal gluon is due to the quantum fluctuation of orientation of Abelian direction. Dual superconductivity of theory vacuum is confirmed by deriving dual London equation for chromo-electronic field.

Duoje Jia



Evaluation of Parallel Domain Decomposition Algorithms Jesus Antonio Izaguirre Paz  

E-Print Network (OSTI)

- rameters (from several tests not reported here) for each method tested. 1 "Tight balance" is when a user;.......................................................................................................................................................................................................................................................................................................................................................................................... .......................................................................................................................................................................................................................................................................................................................................................................................... .......................................................................................................................................................................................................................................................................................................................................................................................... .......................................................................................................................................................................................................................................................................................................................................................................................... .......................................................................................................................................................................................................................................................................................................................................................................................... .......................................................................................................................................................................................................................................................................................................................................................................................... .......................................................................................................................................................................................................................................................................................................................................................................................... .......................................................................................................................................................................................................................................................................................................................................................................................... .......................................................................................................................................................................................................................................................................................................................................................................................... Coords? Tight Balance? Coords? Tight Balance? Coords? Tight Balance? Parallel? Parallel? Partition? Y N Y SAND93-1301, Sandia National Laboratories, Albuquereque, NM, 1993. [Hendrickson and Leland, 1994] Bruce

Izaguirre, Jesús A.


Decomposition, Reformulation, and Diving in University Course Timetabling  

E-Print Network (OSTI)

m3 each, pumped from 13.5 m depth. Three different CO2 levels 350 µatm (mesocosms M7­ M9), 700 µatm was reached. Then, about 0.8 m3 of freshwater were mixed into the up- per 5.5 m by aquarium water pumps (flow). The operation of the aquarium water pumps within the upper surface layer throughout the experiment ensured

Burke, Edmund


Decomposition Methods for Large Scale LP Decoding - Optimization ...  

E-Print Network (OSTI)

decoding when implemented with standard LP solvers does not easily scale to the ... not automatically exploit the rich structure inherent to the linear program. ...... To show that (4.10) is satisfied is straightforward for the cases q ? r and q ? r+2. ...... behavior, in particular word-error-rate and execution-time statistics, as a


Solving Potential Scattering Equations without Partial Wave Decomposition  

E-Print Network (OSTI)

Considering two-body integral equations we show how they can be dimensionally reduced by integrating exactly over the azimuthal angle of the intermediate momentum. Numerical solution of the resulting equation is feasible without employing a partial-wave expansion. We illustrate this procedure for the Bethe-Salpeter equation for pion-nucleon scattering and give explicit details for the one-nucleon-exchange term in the potential. Finally, we show how this method can be applied to pion photoproduction from the nucleon with $\\pi N$ rescattering being treated so as to maintain unitarity to first order in the electromagnetic coupling. The procedure for removing the azimuthal angle dependence becomes increasingly complex as the spin of the particles involved increases.

George Caia; Vladimir Pascalutsa; Louis E. Wright



Department fr Informatik der Fakultt II, Informatik,  

E-Print Network (OSTI)

Kraftwerk wird viel Kohlendioxid produziert; mal davon abgesehen, dass es mit der Kohle irgendwann vorbei

Damm, Werner


Issue 5: High Interest in Hybrid Cars  

E-Print Network (OSTI)

and Associates. (2002). Hybrid Vehicle Consumer Acceptancedefinitely consider a hybrid vehicle, and any of these werepercent or more for a hybrid vehicle. O THER V ARIATIONS IN

Ong, Paul M.; Haselhoff, Kim



Swatch Group | Open Energy Information  

Open Energy Info (EERE)

Swatch Group Jump to: navigation, search Name Swatch Group Place Switzerland Product String representation "The Swatch Grou ... ther industries" is too long. References Swatch...



E-Print Network (OSTI)

Ocean Thermal Energy Conversion (OTEC) Draft Programmaticof ocean thermal energy conversion technology. U.S. Depart~on Ocean TherUial Energy Conversion, June 18, 1979. Ocean

Sands, M.Dale




E-Print Network (OSTI)

in predicting dynamic thermal performance by the admittancea lumped parameter thermal analog model for dynamic ther-5 Presented at the DOE/ASTM Thermal Insulation Conference,

Carroll, William L.



A Flow-Channel Analysis for the Mars Hopper  

DOE Green Energy (OSTI)

The Mars Hopper is an exploratory vehicle designed to fly on Mars using carbon dioxide from the Martian atmosphere as a rocket propellant. The propellent gasses are thermally heated while traversing a radioisotope ther- mal rocket (RTR) engines core. This core is comprised of a radioisotope surrounded by a heat capacitive material interspersed with tubes for the propellant to travel through. These tubes, or flow channels, can be manu- factured in various cross-sectional shapes such as a special four-point star or the traditional circle. Analytical heat transfer and computational fluid dynamics (CFD) anal- yses were performed using flow channels with either a circle or a star cross- sectional shape. The nominal total inlet pressure was specified at 2,805,000 Pa; and the outlet pressure was set to 2,785,000 Pa. The CO2 inlet tem- perature was 300 K; and the channel wall was 1200 K. The steady-state CFD simulations computed the smooth-walled star shapes outlet temper- ature to be 959 K on the finest mesh. The smooth-walled circles outlet temperature was 902 K. A circle with a surface roughness specification at 0.01 mm gave 946 K and at 0.1 mm yielded 989 K. The The effects of a slightly varied inlet pressure were also examined. The analytical calculations were based on the mass flow rates computed in the CFD simulations and provided significantly higher outlet temperature results while displaying the same comparison trends. Research relating to the flow channel heat transfer studies was also done. Mathematical methods to geometrically match the cross-sectional areas of the circle and star, along with a square and equilateral triangle, were derived. A Wolfram Mathematica 8 module was programmed to analyze CFD results using Richardson Extrapolation and calculate the grid convergence index (GCI). A Mathematica notebook, also composed, computes and graphs the bulk mean temperature along a flow channels length while the user dynam- ically provides the input variables, allowing their effects on the temperature to be more easily observed.

W. Spencer Cooley


Note: This page contains sample records for the topic "ther mal decomposition" from the National Library of EnergyBeta (NLEBeta).
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they are not comprehensive nor are they the most current set.
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Decomposition of Energy and CO2 Emission of China between 1980 and 2005  

Science Conference Proceedings (OSTI)

In 2005, Chinas energy consumption amounted to 2233 million tons coal equivalent (MtCE), and the CO2 emission was 5322.69 million tons, making China the worlds second largest consumer of energy products and source of CO2 emissions behind ... Keywords: China, Energy intensity, CO2 emissions, decarbon

Xiaoli Liu; Yongxiu He; Jun Dong



Isolation of the Ozone QBO in SAGE II Data by Singular-Value Decomposition  

Science Conference Proceedings (OSTI)

Detailed structure of the global quasi-biennial oscillation (QBO) in ozone is analyzed using Stratospheric Aerosol and Gas Experiment II ozone and nitrogen dioxide data. Emphasis is placed on the midlatitude QBO, in particular its vertical ...

William J. Randel; Fei Wu



A long-term sensitivity analysis of the denitrification and decomposition model  

Science Conference Proceedings (OSTI)

Although sensitivity analysis (SA) was conducted on the DeNitrification-DeComposition (DNDC) model, a global SA over a long period of time is lacking. We used a method of Bayesian analysis of computer code outputs (BACCO) with the Gaussian emulation ... Keywords: BACCO, BACCO GEM-SA, DNDC, GEM-SA, GSA, Global sensitivity analysis, Long-term, SA

Xiaobo Qin; Hong Wang; Yu'E Li; Yong Li; Brian Mcconkey; Reynald Lemke; Changsheng Li; Kelsey Brandt; Qingzhu Gao; Yunfan Wan; Shuo Liu; Yuntong Liu; Chao Xu



Catalysis Letters Vol. 77, No. 13, 2001 1 Ammonia decomposition on Ir(100)  

E-Print Network (OSTI)

hydrogen pro- duction technologies such as steam reforming, partial oxida- tion and autothermal reforming reforming of methane/hydrocarbons as a method for production of CO-free hydrogen [3,4]. An alternative for hydrogen production for applications in fuel cells [3­6]. Recently we have pro- posed stepwise steam

Goodman, Wayne


Photoelectrochemical hydrogen production from water/ methanol decomposition using Ag/TiO2 nanocomposite  

E-Print Network (OSTI)

methane- steam reforming [5], which consumes energy and produces greenhouse gas emissions, mainly, carbon



E-Print Network (OSTI)

. In the case of China for the period 1978 to 2008, Fang (2011) finds that a 1% increase in renewable energy the impacts of renewable and non-renewable energy consumption on economic activities to find out whether economic growth benefits from substituting renewable energy for non-renewable energy sources. Empirical


Reduction of Model Order Based on Proper Orthogonal Decomposition for Lithium-Ion Battery Simulations  

E-Print Network (OSTI)

) by eliminating components such as the separator.3 Among commercially available batteries, lithium ion batteriesTunable Networks from Thiolene Chemistry for Lithium Ion Conduction Catherine N. Walker, Craig. This system provides a route to optimize lithium ion conduction and mechanical properties. Access


Printed in Great Britain 107 The Decomposition of Toluene by Soil Bacteria  

E-Print Network (OSTI)

Strains of two bacteria, a Pseudomonas and an Achromobacter, which grow with toluene, benzene or certain other related aromatic compounds as sole carbon source were isolated from soil. The use of aromatic compounds by these bacteria was an induced phenomenon. Toluene-grown organisms oxidized without lag toluene, benzene, catechol, &methylcatechol, benzyl alcohol and, more slowly, o- and m-cresol, but not benzaldehyde or benzoic acid. 3-Methylcatechol, acetic acid, pyruvic acid, and a yellow ether-soluble acidic substance which was colourless in acid solution, were detected in toluene-oxidizing cultures. Acetic and pyruvic acids were also formed during the bacterial oxidation of 8-methylcatechol. 3-Methylcatechol is probably an early stage in the bacterial metabolism of toluene; benzaldehyde and benzoic acid seem not to be intermediates in this metabolism.

D. Claus



Variance Decomposition Sensitivity Analysis of a Passive Residual Heat Removal System Model  

E-Print Network (OSTI)

Temperature Gas-Cooled Reactor ­ Pebble Bed Modular (HTR-PM). 1. Introduction Generation IV nuclear reactor with an application to a gas-cooled reactor", Nuclear Engineering and Design, 238(1), pp.217-228. McKay, M. D., 1996 of Nuclear and New Energy technology, Tsinghua University, Beijing, China b Department of Energy, Polytechnic


A graph-based recovery and decomposition of Swanson's hypothesis using semantic predications  

Science Conference Proceedings (OSTI)

Objectives: This paper presents a methodology for recovering and decomposing Swanson's Raynaud Syndrome-Fish Oil hypothesis semi-automatically. The methodology leverages the semantics of assertions extracted from biomedical literature (called semantic ... Keywords: Background knowledge, Literature-Based Discovery (LBD), Semantic associations, Semantic predications, Subgraph creation, Swanson's hypothesis

Delroy Cameron; Olivier Bodenreider; Hima Yalamanchili; Tu Danh; Sreeram Vallabhaneni; Krishnaprasad Thirunarayan; Amit P. Sheth; Thomas C. Rindflesch



Domain Decomposition Methods in Optimal Flow Control for High Performance Computing.  

E-Print Network (OSTI)

??This thesis is concerned with linear and non-linear optimal flow control problems which are modeled by systems of partial differential equations. The numerical treatment of (more)

Ketelaer, Eva



Thermal Decomposition of Methyl Butanoate: Ab Initio Study of a Biodiesel Fuel Surrogate  

E-Print Network (OSTI)

. (1989a,b) from a molecular dynamics simulation of the measured structure factor results of Susman et al., and BOLLER,A.,1994, Thermochim. Acta, 238, 227. ZHANG,M., and BOOLCHAND,P.,1994, Science, 266, 1355. 1772

Violi, Angel


Applied Soil Ecology 23 (2003) 165179 Effects of disturbance and ecosystem on decomposition  

E-Print Network (OSTI)

production. The final selection of the 18 sites was completed in coordination with personnel from the Natural, soluble lignin, and insol- uble lignin content in balsa wood substrates placed in undisturbed forests forest sites. We did not observe changes in percentages of insol- uble lignin, soluble lignin

Neher, Deborah A.


Decomposition of the Continuous Ranked Probability Score for Ensemble Prediction Systems  

Science Conference Proceedings (OSTI)

Some time ago, the continuous ranked probability score (CRPS) was proposed as a new verification tool for (probabilistic) forecast systems. Its focus is on the entire permissible range of a certain (weather) parameter. The CRPS can be seen as a ...

Hans Hersbach



Spatial Decomposition of Climate Feedbacks in the Community Earth System Model  

Science Conference Proceedings (OSTI)

An ensemble of simulations from different versions of the Community Atmosphere Model in the Community Earth System Model (CESM) is used to investigate the processes responsible for the intermodel spread in climate sensitivity. In the CESM ...

A. Gettelman; J. E. Kay; J. T. Fasullo



Finite element implementation of nearly-incompressible rheological models based on multiplicative decompositions  

Science Conference Proceedings (OSTI)

The present work is concerned with the numerical integration of finite viscoelastic or viscoplastic models. A numerical integration scheme based on the definition of a flow direction and a flow amplitude as in elastoplasticity is proposed. The most original ... Keywords: Finite elements, Finite strain, Integration scheme, Viscoelasticity, Viscoplasticity

S. Lejeunes; A. Boukamel; S. Mo



Decomposition of the price and income elasticities of the consumer demand for gasoline  

Science Conference Proceedings (OSTI)

The authors specify and estimate a model of the short-run demand for gasoline which allows them to decompose a consumer's gasoline demand elasticities into miles-driven and driving-efficiency components. Their model is estimated using detailed household survey data which allows direct focus on the short run, holding both the household's automobile stock and demographic profile fixed. Among the most interesting results are: (1) The data allow interesting insights to be drawn into the interrelationship between these important variables and household behavior with respect to gasoline consumption, miles driven, and driving efficiency. (2) The gasoline demand behavior of one-car and multi-car households differ significantly from each other. Evaluated at overall sample means, one-car households have higher (in absolute value) price elasticites for gasoline, miles driven and fuel-efficiency demand. Conversely, multi-car households have higher (in absolute value) total expenditure elasticities for each category. (3) For both one-car and multi-car households, roughly 75% of the estimated price elasticity and roughly 80% of the estimated total-expenditure elasticity of gasoline demand stem from the miles-driven component. The estimated fuel-efficiency elasticities, though smaller than their standard errors, indicate that households respond to changes in prices and total-expenditure levels not only by changing the number of miles they drive, but also by changing the efficiency with which they drive them. 23 references, 3 tables.

Archibald, R. (College of William and Mary, Williamsburg, VA); Gillingham, R.



A first-order block-decomposition method for solving two-easy-block ...  

E-Print Network (OSTI)

Jul 27, 2012 ... Since the code in this paper works directly in the conic optimization ...... http://


Modal Decomposition of the Low-Frequency Currents and Baroclinic Instability at Drake Passage  

Science Conference Proceedings (OSTI)

Recently collected hydrographic data show that each of the four water mass zones previously identified in Drake Passage is characterized by a distinctly different vertical profile of Brunt-Visl frequency. Stratification in Drake Passage is ...

Masamichi Inoue



Figure 30. Decomposition 4941 of Energy Use by Effect, 1988-1994 ...  

U.S. Energy Information Administration (EIA)

Home > Households, Buildings & Industry >Transportation Surveys > Household Vehicles Energy Use > Figure 30

Note: This page contains sample records for the topic "ther mal decomposition" from the National Library of EnergyBeta (NLEBeta).
While these samples are representative of the content of NLEBeta,
they are not comprehensive nor are they the most current set.
We encourage you to perform a real-time search of NLEBeta
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A class of DantzigWolfe type decomposition methods for variational ...  

E-Print Network (OSTI)

CEPEL, Electric Energy Research Center. On leave from INRIA ..... ing variational equilibria of game-theoretical models of electricity markets are presented in. Section 4. ...... approximations, which incorporate more information. The situation is...


Combining the vortex-in-cell and parallel fast multipole methods for efficient domain decomposition simulations  

Science Conference Proceedings (OSTI)

A new combination of vortex-in-cell and parallel fast multipole methods is presented which allows to efficiently simulate, in parallel, unbounded and half-unbounded vortical flows (flows with one flat wall). In the classical vortex-in-cell (VIC) method, ... Keywords: Incompressible flows, Lagrangian methods, Parallel fast multipole method, Particle methods, Unbounded flows, Unsteady flows, Vortex methods, Vortex-in-cell method, Wall-bounded flows

Roger Cocle; Grgoire Winckelmans; Goric Daeninck



Strain of alcaligenes latus bacteria used for the decomposition of polychlorinated biphenyls  

DOE Patents (OSTI)

Alcaligenes latus bacterial strain TXD-13 VKPM B 75-05 is capable of degrading polychlorinated biphenyls (PCBs). The strain may be employed to detoxicate environment media and PCB-containing industrial waste. To produce biomass, the strain is incubated on media which contain carbon sources, nitrogen sources and mineral salts. The strain is cultivated by a subsurface method up to a titer from 6.0.multidot.10.sup.8 to 2.0.times.10.sup.9 cells per cu cm. The produced biomass is used for degrading PCBs in concentrations from 10.sup.7 to 10.sup.8 cells per cu cm. The strain ensures from 35 to 50% reduction in PCB content in soil and water.

Dyadischev, Nikolai Romanovich (Moscow Region, RU); Zharikov, Gennady Alekseevich (Moscow Region, RU); Kapranov, Vladimir Vladimirovich (Moscow Region, RU)



Beyond metallo-carbohedrenes. Growth and decomposition of metal-carbon nanocrystals  

Science Conference Proceedings (OSTI)

The recently discovered family of metal-carbon clusters, designated metallo-carbohedrenes or [open quotes]met-cars[close quotes] by Castleman and co-workers, are reinvestigated with a focus on titanium and vanadium systems. In addition to the stable M[sub 8]C[sub 12][sup +] clusters reported previously, a family of larger metal-carbon systems are observed. Mass spectroscopy and mass-selected laser photodissociation measurements are used to investigate the structures and stabilities of these systems, which contain up to 60 atoms in the cluster framework. The larger metal-carbon species exhibit 1/1 M/C stoichiometries characteristics of cubic lattice structures and are therefore designated as [open quotes]nanocrystals[close quotes]. The species Ti[sub 14]C[sub 13][sup +] and V[sub 14]C[sub 13][sup +], which are proposed to have the 3 X 3 X 3 cubic structure, are especially abundant and are believed to have stabilities comparable to those of the M[sub 8]C[sub 12] species. Photodissociation of larger nanocrystals produces both the 8/12 and 14/13 stoichiometries as abundant photofragments. Evidence is also presented for the formation of endohedral met-car clusters containing a central carbon atom, which are formed as photodissociation products from larger systems. 37 refs., 5 figs., 1 tab.

Pilgrim, J.S.; Duncan, M.A. (Univ. of Georgia, Athens, GA (United States))



On the Decomposition of Austenite in a High-Silicon Steel during ...  

Science Conference Proceedings (OSTI)

A New Technology of Shot Blasting and Pickling in S31803 Duplex Stainless Steel Plate and GR2 Titanium Plate Analysis of Scale Deformation and Fracture in...


Thermal expansion and decomposition of jarosite: a high-temperature neutron diffraction study  

DOE Green Energy (OSTI)

The structure of deuterated jarosite, KFe{sub 3}(SO{sub 4}){sub 2}(OD){sub 6}, was investigated using time-of-flight neutron diffraction up to its dehydroxylation temperature. Rietveld analysis reveals that with increasing temperature, its c dimension expands at a rate {approx}10 times greater than that for a. This anisotropy of thermal expansion is due to rapid increase in the thickness of the (001) sheet of [Fe(O,OH){sub 6}] octahedra and [SO{sub 4}] tetrahedra with increasing temperature. Fitting of the measured cell volumes yields a coefficient of thermal expansion, a = a{sub 0} + a{sub 1} T, where a{sub 0} = 1.01 x 10{sup -4} K{sup -1} and a{sub 1} = -1.15 x 10{sup -7} K{sup -2}. On heating, the hydrogen bonds, O1{hor_ellipsis}D-O3, through which the (001) octahedral-tetrahedral sheets are held together, become weakened, as reflected by an increase in the D{hor_ellipsis}O1 distance and a concomitant decrease in the O3-D distance with increasing temperature. On further heating to 575 K, jarosite starts to decompose into nanocrystalline yavapaiite and hematite (as well as water vapor), a direct result of the breaking of the hydrogen bonds that hold the jarosite structure together.

Xu, Hongwu [Los Alamos National Laboratory; Zhao, Yusheng [Los Alamos National Laboratory; Vogel, Sven C [Los Alamos National Laboratory; Hickmott, Donald D [Los Alamos National Laboratory; Daemen, Luke L [Los Alamos National Laboratory; Hartl, Monika A [Los Alamos National Laboratory



Using Singular Value Decomposition to Parameterize State-Dependent Model Errors  

Science Conference Proceedings (OSTI)

The purpose of the present study is to use a new method of empirical model error correction, developed by Danforth et al. in 2007, based on estimating the systematic component of the nonperiodic errors linearly dependent on the anomalous state. ...

Christopher M. Danforth; Eugenia Kalnay



Thermal runaway reaction hazard and decomposition mechanism of the hydroxylamine system  

E-Print Network (OSTI)

Chemical reactivity hazards have posed a significant challenge for industries that manufacture, store, and handle reactive chemicals. Without proper management and control of reactivity, numerous incidents have caused tremendous loss of property and human lives. The U.S. Chemical Safety and Hazard Investigation Board (CSB) reported 167 incidents involving reactive chemicals that occurred in the U.S. from 1980 to 2001. According to the report, 35 percent of the incidents were caused by thermal runaway reactions, such as incidents that involved hydroxylamine and hydroxylamine nitrate. The thermal stability of hydroxylamine system under various industrial conditions was studied thoroughly to develop an understanding necessary to prevent recurrence of incidents. The macroscopic runaway reaction behavior of hydroxylamine system was analyzed using a RSST (Reactive System Screening Tool) and an APTAC (Automatic Pressure Tracking Calorimeter). Also, computational chemistry was employed as a powerful tool to evaluate and predict the measured reactivity. A method was proposed to develop a runaway reaction mechanism that provides atomic level ofinformation on elementary reaction steps, in terms of reaction thermochemistry, activation barriers, and reaction rates. This work aims to bridge molecular and macroscopic scales for process safety regarding reactive chemicals and to understand macroscopic runaway reaction behaviors from a molecular point of view.

Wei, Chunyang



Monte Carlo Algorithm for Least Dependent Non-Negative Mixture Decomposition  

E-Print Network (OSTI)

....................................................................7 Ivan Bedini, Benjamin Nguyen and Georges Gardarin. Guiding the Ontology Matching Process Construction Tool Ivan Bedini 1 , Benjamin Nguyen 2 , Georges Gardarin 2 1 Orange Labs, 42 Rue des Coutures, 14000 Caen, France ivan.bedini@orange-ftgroup.com 2 PRiSM Laboratory, University of Versailles, 45

Astakhov, Sergey



E-Print Network (OSTI)

AND MARGUS KRUUS Department of Computer Engineering, Tallinn University of Technology, Raja 15, 12618 Tallinn are tailored to the learning process they are easy to use and have a self explaining user interface of the tool in all views. Thus the students can concentrate at the solution - not at the features of a complex

Kruus, Margus


Standardized decomposition rates of human remains in the West Texas area.  

E-Print Network (OSTI)

??Recent requests by law enforcement agents for accurate time since death analysis has led to the necessity for region specific data. This study focuses on (more)

Cavness, Gina DeeAnn



Biennial Variations in Surface Temperature over the United States as Revealed by Singular Decomposition  

Science Conference Proceedings (OSTI)

Surface temperature variations over the contiguous United States during the period 193175 are examined using mean monthly averages for the 344 climate divisions. This data matrix is decomposed into orthogonal components using the method of ...

Eugene M. Rasmusson; Phillip A. Arkin; Wen-Yuan Chen; John B. Jalickee



Modeling of electric disturbance signals using damped sinusoids via atomic decompositions and its applications  

Science Conference Proceedings (OSTI)

The number of waveforms monitored in power systems is increasing rapidly. This creates a demand for computational tools that aid in the analysis of the phenomena and also that allow ecffient transmission and storage of the information acquired. In this ...

Lisandro Lovisolo; Michel P. Tcheou; Eduardo A. B. da Silva; Marco A. M. Rodrigues; Paulo S. R. Diniz



The Synoptic Decomposition of Cool-Season Rainfall in the Southeastern Australian Cropping Region  

Science Conference Proceedings (OSTI)

Daily rainfall during the AprilOctober growing season in a major cropping region of southeastern Australia has been related to particular types of synoptic weather systems over a period of 33 yr. The analysis reveals that cutoff lows were ...

Michael J. Pook; Peter C. McIntosh; Gary A. Meyers



Fluctuation studies in the infinite interval matrix representations of operator products and their decompositions  

SciTech Connect

In this work a study on finite dimensional matrix approximations to products of quantum mechanical operators is conducted. It is emphasized that the matrix representation of the product of two operators is equal to the product of the matrix representation of each of the operators when all the fluctuation terms are ignored. The calculation of the elements of the matrices corresponding to the matrix representation of various operators, based on three terms recursive relation is defined. Finally it is shown that the approximation quality depends on the choice of higher values of n, namely the dimension of Hilbert space.

Baykara, N. A.; Guervit, Ercan; Demiralp, Metin [Marmara University, Department of Mathematics, Goeztepe, 34722, Istanbul (Turkey); Istanbul Technical University, Informatics Institute, Maslak, 34469, Istanbul (Turkey)



Metallurgical characterization of self catalytic structural materials for sulfuric acid decomposition  

E-Print Network (OSTI)

Eight heats of material with base alloy chemistries of Alloys 800 HT or 617 with platinum additions of 2, 5, 15, or 30 wt% have been characterized according to their microstructural features. The goals of characterization ...

Rigual, David Andrs



An efficient, robust, domain-decomposition algorithm for particle Monte Carlo  

Science Conference Proceedings (OSTI)

A previously described algorithm [T.A. Brunner, T.J. Urbatsch, T.M. Evans, N.A. Gentile, Comparison of four parallel algorithms for domain decomposed implicit Monte Carlo, Journal of Computational Physics 212 (2) (2006) 527-539] for doing domain decomposed ... Keywords: Monte Carlo methods, Neutron transport, Parallel computation, Radiative transfer

Thomas A. Brunner; Patrick S. Brantley



Practical Tractability of CSPS by Higher Level Consistency and Tree Decomposition.  

E-Print Network (OSTI)

??Constraint Satisfaction is a flexible paradigm for modeling many decision problems in Engineering, Computer Science, and Management. Constraint Satisfaction Problems (CSPs) are in general NP-complete (more)

Karakashian, Shant



Optimal Generation Expansion Planning for Electric Utilities Using Decomposition and Probabilistic Simulation Techniques  

E-Print Network (OSTI)

Three related methods are presented for determining the least-cost generating capacity investments required to meet given future demands for electricity. The models are based on application of large-scale mathematical ...

Bloom, Jeremy A.


High-level synthesis of asynchronous systems by data-driven decomposition  

Science Conference Proceedings (OSTI)

We present a method for decomposing a high-level program description of a circuit into a system of concurrent modules that can each be implemented as asynchronous pre-charge half-buffer pipeline stages (the circuits used in the asynchronous R3000 MIPS ... Keywords: asynchronous VLSI, high-level synthesis

Catherine G. Wong; Alain J. Martin


Note: This page contains sample records for the topic "ther mal decomposition" from the National Library of EnergyBeta (NLEBeta).
While these samples are representative of the content of NLEBeta,
they are not comprehensive nor are they the most current set.
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to obtain the most current and comprehensive results.


Internal Tide Generation at the Continental Shelf Modeled Using a Modal Decomposition: Two-Dimensional Results  

Science Conference Proceedings (OSTI)

Stratified flow over topography is studied, with oceanic applications in mind. A model is developed for a fluid with arbitrary vertical stratification and a free surface, flowing over three-dimensional topography of arbitrary size and steepness, ...

Stephen D. Griffiths; R. H. J. Grimshaw



Evaluating Rank Histograms Using Decompositions of the Chi-Square Test Statistic  

Science Conference Proceedings (OSTI)

Rank histograms are often plotted to evaluate the forecasts produced by an ensemble forecasting systeman ideal rank histogram is flat or uniform. It has been noted previously that the obvious test of flatness, the well-known ?2 goodness-of-...

Ian T. Jolliffe; Cristina Primo



World Food Crisis: Imperfect Markets Starving Development, A Decomposition of Recent Food Price Increases.  

E-Print Network (OSTI)

??The recent decade has experienced two rather substantial food price spikes. This thesis sets out to provide an in-depth look at the recent food price (more)

Costello, Christine



Signal separation of musical instruments: simulation-based methods for musical signal decomposition and transcription  

E-Print Network (OSTI)

words. Paul J. Walmsley 4 Abstract This thesis presents techniques for the modelling of musical signals, with particular re gard to monophonic and polyphonic pitch estimation. Musical signals are modelled as a set of notes, each comprising of a set... the time its taken me to get this done. And of course, Dominic's teeth, without whom ... 8 ,1 Notation Symbols b b D..cp, a~ r q G GC g 0 0 {oqh~ {OYh~,Nf {oq} _{q} ll[Xl ,X2J (x) I IN !v! M IQl

Walmsley, Paul Jospeh



Energy prices and energy intensity in China : a structural decomposition analysis and econometrics study  

E-Print Network (OSTI)

Since the start of its economic reforms in 1978, China's energy prices relative to other prices have increased. At the same time, its energy intensity, i.e., energy consumption per unit of Gross Domestic Product (GDP), has ...

Shi, Xiaoyu



Characterization of explosives processing waste decomposition due to composting. Final report  

SciTech Connect

The objective of this work was to provide data and methodology assisting the transfer and acceptance of composting technology for the remediation of explosives-contaminated soils and sediments. Issues and activities addressed included: (a) chemical and toxicological characterization of compost samples from new field composting experiments, and the environmental availability of composting efficiency by isolation of bacterial consortia and natural surfactants from highly efficient composts, and (c) improved assessment of compost product suitability for land application.

Griest, W.H.; Stewart, A.J.; Ho, C.H.; Tyndall, R.L.; Vass, A.A.; Caton, J.E.; Caldwell, W.M.



Using adaptive proper orthogonal decomposition to solve the reaction-diffusion equation  

Science Conference Proceedings (OSTI)

We introduce an adaptive POD method to reduce the computational cost of reacting flow simulations. The scheme is coupled with an operator-splitting algorithm to solve the reaction-diffusion equation. For the reaction sub-steps, locally valid basis vectors, obtained via POD and the method of snapshots, are used to project the minor species mass fractions onto a reduced dimensional space thereby decreasing the number of equations that govern combustion chemistry. The method is applied to a one-dimensional laminar premixed CH{sub 4}-air flame using GRImech 3.0; with errors less than 0:25%, a speed-up factor of 3:5 is observed. The speed-up results from fewer source term evaluations required to compute the Jacobian matrices.

Singer, M A; Green, W H



Channel specific rate constants relevant to the thermal decomposition of disilane.  

SciTech Connect

Rate constants for the thermal dissociation of Si{sub 2}H{sub 6} are predicted with a novel transition state model. The saddle points for dissociation on the Si{sub 2}H{sub 6} potential energy surface are lower in energy than the corresponding separated products, as confirmed by high level ab initio quantum mechanical calculations. Thus, the dissociations of Si{sub 2}H{sub 6} to produce SiH{sub 2} + SiH{sub 4} (R1) and H{sub 3}SiSiH + H{sub 2} (R2) both proceed through tight inner transition states followed by loose outer transition states. The present 'dual' transition state model couples variational phase space theory treatments of the outer transition states with ab initio based fixed harmonic vibrator treatments of the inner transition states to obtain effective numbers of states for the two transition states acting in series. It is found that, at least near room temperature, such a dual transition state model is generally required for the proper description of each of the dissociations. Only at quite high temperatures, i.e., above 2000 K for (R1) and 600 K for (R2), does a single fixed inner transition state provide an adequate description. Similarly, only at quite low temperatures (below 100 and 10 K for (R1) and (R2), respectively) does a single outer transition state provide an adequate description. Pressure dependent rate constants are obtained from solutions to the multichannel master equation. These calculations confirm that dissociation channel (R2) is negligible under conditions relevant to the thermal chemical vapor deposition (CVD) processes. Rate constants for the chemical activation reactions, SiH{sub 2} + SiH{sub 4} {yields} Si{sub 2}H{sub 6} (R-1) and SiH{sub 2} + SiH{sub 4} {yields} H{sub 3}SiSiH + H{sub 2} (R3), are also evaluated within the dual transition state model. It is found that reaction R3 is the dominant channel for low pressures and high temperatures, i.e., below 100 Torr for temperatures above 1100 K.

Matsumoto, Keiji (University of Tokyo, Tokyo, Japan); Klippenstein, Stephen J.; Koshi, Mitsuo (University of Tokyo, Tokyo, Japan); Tonokura, Kenichi (University of Tokyo, Tokyo, Japan)



Applying the Hilbert--Huang Decomposition to Horizontal Light Propagation C 2  

E-Print Network (OSTI)

radio telescope, Arecibo, Puerto Rico #12;Why Radio? Radio has certain advantages. Stars are faint radio. Photons carry energy E=h = hc/ Cost per photon decreases with increasing wavelength At a cost of $0.20 per sources The Earth is the brightest MHz radio source in the solar system, 10 times brighter than the Sun

Chang, Mark J. L.


Simple and Efficient Algorithms for Computing Smooth, Collision-free Feedback Laws Over Given Cell Decompositions  

Science Conference Proceedings (OSTI)

This paper presents a novel approach to computing feedback laws in the presence of obstacles. Instead of computing a trajectory between a pair of initial and goal states, our algorithms compute a vector field over the entire state space; all trajectories ... Keywords: collision avoidance, feedback control, motion planning, navigation functions, potential fields, vector fields

Stephen R. Lindemann; Steven M. Lavalle



Study on the Decomposition of Monazite and Bastnaesite by Ca(OH)  

Science Conference Proceedings (OSTI)

Synthesis and Characterization of Plasma Polymerized Thin Films Deposited from Benzene and Hexamethyldisiloxane Using (PECVD) Method Synthesis and...


Using atmospheric fallout to date organic horizon layers and quantify metal dynamics during decomposition  

E-Print Network (OSTI)

Using atmospheric fallout to date organic horizon layers and quantify metal dynamics during- tribution of geochemical tracers from weapons fallout, air pollution, and a direct 207 Pb application at one

Heimsath, Arjun M.


Comparative Analysis of Low-Level Cold Fronts: Wavelet, Fourier, and Empirical Orthogonal Function Decompositions  

Science Conference Proceedings (OSTI)

Atmospheric cold fronts observed in the boundary layer represent relatively sharp transition zones between air masses of disparate physical characteristics. Further, wavelike features and/or eddy structures are often observed in conjunction with ...

Nimal Gamage; William Blumen



Detailed modeling of the evaporation and thermal decomposition of urea-water-solution in SCR systems  

E-Print Network (OSTI)

NOx reduction in net oxidizing exhaust gas, SAE International Paper N° 900496, 99, 1990. [2] KOEBEL M on the performance of metal exchanged zeolites for the selective catalytic reduction of NOx: Part I. Pyrolysis thermolysis and NOx reduction with and without SCR catalysts, Applied Catalysis B: Environmental, 46, pp.17


Energy prices and energy intensity in China : a structural decomposition analysis and econometric study  

E-Print Network (OSTI)

Since the start of its economic reforms in 1978, China's energy prices relative to other prices have increased. At the same time, its energy intensity, i.e., physical energy consumption per unit of Gross Domestic Product ...

Shi, Xiaoyu, M.C.P. Massachusetts Institute of Technology



Crossed Molecular Beam Studies and Dynamics of Decomposition of Chemically Activated Radicals  

DOE R&D Accomplishments (OSTI)

The power of the crossed molecular beams method in the investigation of the dynamics of chemical reactions lies mainly in the direct observation of the consequences of single collisions of well controlled reactant molecules. The primary experimental observations which provide information on reaction dynamics are the measurements of angular and velocity distributions of reaction products.

Lee, Y. T.



Why did China's Energy Intensity Increase during 1998-2006: Decomposition and Policy Analysis  

E-Print Network (OSTI)

coal-dependent consumption structure (Fig. 4) and low per capita energy endowments. China's coal use takes up about 70 percent of the total energy consumption. Per capita oil, natural gas and coal deposits). Moreover, industrial consumption increased more rapidly due to expansion in energy-intensive industries

Edwards, Paul N.


Decomposition of peat from upland boreal forest: Temperature dependence and sources of respired carbon  

E-Print Network (OSTI)

spruce forest, near Thompson, Manitoba, Canada. The samplingsite near Thompson, Manitoba, showed increased contribution

Dioumaeva, Irina; Trumbore, Susan; Schuur, Edward A. G.; Goulden, Michael L.; Litvak, Marcy; Hirsch, Adam I.



White-Rot Basidiomycete-Mediated Decomposition of C60 Fullerol  

E-Print Network (OSTI)

Earthworm avoidance of biochar can be mitigated by wetting Dong Li a , William C. Hockaday b Keywords: Eisenia foetida Avoidance test Biochar Desiccation MDA SOD PAH a b s t r a c t Biochar has and mitigate any unintended consequences associated with soil biochar amendment. We conducted soil avoidance

Blanchette, Robert A.


Methane production during the anaerobic decomposition of composted and raw organic refuse in simulated landfill cells  

E-Print Network (OSTI)

Methane contributes 20% annually to increases in global warming, and is explosive at concentrations of 5-15% in air. Landfills contribute 15% to total methane emissions. This study was conducted to determine the potential decrease in methane production from landfills if organic waste is composted prior to. The quantities and rates of methane production were measured from simulated landfill cells containing composted and raw simulated refuse. The refuse was composted in an open pile and characterized by temperature, pH, ash content and C02 evolved during aerobic respiration. Assuming a 1 0% lignin content, the labile carbon fraction was reduced by an estimated 71 % during composting. Over a of six month period, simulated landfill cells filled with raw waste generated 66 M3 methane per Mg of dry refuse, while cells containing compost produced 31 M3 methane per Mg of dry compost. Per unit weight of dry raw material, composted waste placed in a landfill produced only 23% of the methane that was generated from raw refuse.

West, Margrit Evelyn


Note: This page contains sample records for the topic "ther mal decomposition" from the National Library of EnergyBeta (NLEBeta).
While these samples are representative of the content of NLEBeta,
they are not comprehensive nor are they the most current set.
We encourage you to perform a real-time search of NLEBeta
to obtain the most current and comprehensive results.


Clustering a Global Field of Atmospheric Profiles by Mixture Decomposition of Copulas  

Science Conference Proceedings (OSTI)

This work focuses on the clustering of a large dataset of atmospheric vertical profiles of temperature and humidity in order to model a priori information for the problem of retrieving atmospheric variables from satellite observations. Here, each ...

Mathieu Vrac; Alain Chdin; Edwin Diday



Phase Decomposition during Aging in an Al-22wt.%Zn Alloy  

Science Conference Proceedings (OSTI)

The aging process was analyzed using a solution of the nonlinear Cahn-Hilliard equation by the explicit finite difference method. Besides, the aging process was


Sythesis of metal sulfide nanomaerials via thermal decomposition of single-source percursors  

Science Conference Proceedings (OSTI)

In this report, we present a synthetic method for the formation of cuprous sulfide (Cu2S) and lead sulfide (PbS) nanomaterials directly on substrates from the thermolysis of single-source precursors. We find that the final morphology and arrangement of the nanomaterials may be controlled through the concentration of the dissolved precursors and choice of solvent. One-dimensional (1-D) morphologies may also be grown onto substrates with the addition of a metal catalyst layer through solution-liquid-solid (SLS) growth. These synthetic techniques may be expanded to other metal sulfide materials.

Jen-La Plante, Ilan; Zeid, Tahani W.; Yang, Peidong; Mokari, Taleb



Demonstration of Tritium Extraction from Tritiated Methane in Helium by Utilizing Plasma Decomposition  

Science Conference Proceedings (OSTI)

Detritiation and Isotope Separation / Proceedings of the Ninth International Conference on Tritium Science and Technology (Part 2)

Kazunari Katayama; Satoshi Fukada; Masabumi Nishikawa


Combinatorial evaluation of systems including decomposition of a system representation into fundamental cycles  

DOE Patents (OSTI)

One embodiment of the present invention includes a computer operable to represent a physical system with a graphical data structure corresponding to a matroid. The graphical data structure corresponds to a number of vertices and a number of edges that each correspond to two of the vertices. The computer is further operable to define a closed pathway arrangement with the graphical data structure and identify each different one of a number of fundamental cycles by evaluating a different respective one of the edges with a spanning tree representation. The fundamental cycles each include three or more of the vertices.

Oliveira, Joseph S. (Richland, WA); Jones-Oliveira, Janet B. (Richland, WA); Bailey, Colin G. (Wellington, NZ); Gull, Dean W. (Seattle, WA)



Factor Decomposition of Sectoral Growth in South Africa, 1970-2007  

E-Print Network (OSTI)

2000,which is negative). There isaparticularlystrongcorrelation inthisregardsince2000,forthewholeeconomy and for manufacturing, which is interesting as it follows the period of rapid trade liberalisation... inthemid?tolate?1990s.Thismightsuggesteitherthatsubsectorsthatwere less affected by import penetration (for instance, because therewas less dramatic tariff liberalisation affecting them)were able to grow relatively fast,or that sectors...

Tregenna, Fiona


Preparation of Fibrous CoO Particles by Thermal Decomposition of a ...  

Science Conference Proceedings (OSTI)

DRI Carburization in the Reduction and Transition Zones of a Shaft Furnace MIDREX Type Effect of Casting Speed on Temperature Difference between...


Proper orthogonal decomposition of eigen modes in a gas affected by a mass force  

E-Print Network (OSTI)

The relations connecting perturbations in acoustic and entropy modes in a gas affected by a constant mass force, are derived. The background temperature of a gas may vary in the direction of an external mass force. The relations are independent on time. They make possible to decompose the total vector of perturbations into acoustic and non-acoustic parts uniquely at any instant. %The conclusions of distribution of the energy between sound and entropy modes may be also made at any instant. In order to do this, three quantities are required, according to the number of modes. In one dimension, the reference quantities may be total perturbations in entropy, pressure and velocity. The total energy of flow is determined. The examples of dismemberment of the total field into acoustic and entropy parts relate to the unperturbed temperature of a gas which linearly depends on the spacial co-ordinate.

Anna Perelomova; Sergey Leble



Dantzig-Wolfe and block coordinate-descent decomposition in large ...  

E-Print Network (OSTI)

Considerable research efforts have been directed towards the modeling of each subsystem. The planning and scheduling of exploration and production of crude ...


Product decomposition using design structure matrix for intellectual property protection in supply chain outsourcing  

Science Conference Proceedings (OSTI)

In global recession, outsourcing becomes a question of survival for most executives who need to restore profitability and growth. One of the critical challenges faced by such decisions is the potential risk of leaking confidential information through ... Keywords: Decision making, Design structure matrix, Intellectual property protection, Risk management, Supplier selection

Xiaoguang Deng; Greg Huet; Suo Tan; ClMent Fortin



A taxonomy of polar decompositions for singular second order tensors in R3  

E-Print Network (OSTI)

addresses: ignacio.romero@upm.es (Ignacio Romero), jja@mecanica.upm.es (Juan J. Arribas) Preprint submitted

Romero, Ignacio


The University of MichiganThe University of Michigan Decomposition and Coordination  

E-Print Network (OSTI)

TRACK Road wheels & arms Ground interface ENVIRONMENT Wind Temperature Air quality UPPER TRACK Discrete model Continuous model Longitudinal & normal POWERTRAIN Diesel engine map Diesel engine model Gas

Michelena, Nestor


Novel Composite Hydrogen-Permeable Membranes for Nonthermal Plasma Reactors for the Decomposition of Hydrogen Sulfide  

DOE Green Energy (OSTI)

The goal of this experimental project was to design and fabricate a reactor and membrane test cell to dissociate hydrogen sulfide (H{sub 2}S) in a nonthermal plasma and to recover hydrogen (H{sub 2}) through a superpermeable multi-layer membrane. Superpermeability of hydrogen atoms (H) has been reported by some researchers using membranes made of Group V transition metals (niobium, tantalum, vanadium, and their alloys), but it was not achieved at the moderate pressure conditions used in this study. However, H{sub 2}S was successfully decomposed at energy efficiencies higher than any other reports for the high H{sub 2}S concentration and moderate pressures (corresponding to high reactor throughputs) used in this study.

Morris Argyle; John Ackerman; Suresh Muknahallipatna; Jerry Hamann; Stanislaw Legowski; Gui-Bing Zhao; Sanil John; Ji-Jun Zhang; Linna Wang



Rapid hydrogen gas generation using reactive thermal decomposition of uranium hydride.  

DOE Green Energy (OSTI)

Oxygen gas injection has been studied as one method for rapidly generating hydrogen gas from a uranium hydride storage system. Small scale reactors, 2.9 g UH{sub 3}, were used to study the process experimentally. Complimentary numerical simulations were used to better characterize and understand the strongly coupled chemical and thermal transport processes controlling hydrogen gas liberation. The results indicate that UH{sub 3} and O{sub 2} are sufficiently reactive to enable a well designed system to release gram quantities of hydrogen in {approx} 2 seconds over a broad temperature range. The major system-design challenge appears to be heat management. In addition to the oxidation tests, H/D isotope exchange experiments were performed. The rate limiting step in the overall gas-to-particle exchange process was found to be hydrogen diffusion in the {approx}0.5 {mu}m hydride particles. The experiments generated a set of high quality experimental data; from which effective intra-particle diffusion coefficients can be inferred.

Kanouff, Michael P.; Van Blarigan, Peter; Robinson, David B.; Shugard, Andrew D.; Gharagozloo, Patricia E.; Buffleben, George M.; James, Scott Carlton; Mills, Bernice E.



Workload Decomposition for Particle Simulation Applications on Hierarchical Distributed-Shared Memory  

E-Print Network (OSTI)

for High Performance Computing. Bus-based shared memory multiprocessor systems (SMPs) are rapidly spreading-bandwidth interconnection network, are increasingly established and used to provide high performance computing at a low cost

Vlad, Gregorio



E-Print Network (OSTI)

DOE-EPA Working Group on Ocean TherUial Energy Conversion,Sands, M.D. (editor) Ocean Thermal Energy Conversion (OTEC)r:he comnercialization of ocean thermal energy conversion

Sands, M.Dale



Far-infrared spectra and associated dynamics in acetonitrilewater mixtures measured with femtosecond THz pulse spectroscopy  

E-Print Network (OSTI)

and scientists who are interested in simulating the fire/structural performance of buildings and other structures., Desai, P. D., Li, H. H., and Ho, C. Y., "Ther- mophysical Properties of Stainless Steels," Thermochim


Dynamic Response of the Fine Wire Psychrometer for Direct Measurement of Water Vapor Flux  

Science Conference Proceedings (OSTI)

For the measurement of humidity fluctuation in the atmospheric boundary layer, a wet- and dry-bulb ther-mocouple psychrometer has been used traditionally. However, in the direct measurement of water vapor flux with the eddy correlation method, ...

Osamu Tsukamoto



DOE Building Energy Performance Taxonomy  

NLE Websites -- All DOE Office Websites (Extended Search)

ehicle s toragemaintenance Service --- I ndustrial s hop Service --- D ry---cleaningLaundry Service --- A rtVideoPhotography S tudio Service --- O ther s ervice Parking G...


Utility green pricing programs: A statistical analysis of program effectiveness  

E-Print Network (OSTI)

Bird, L. , Swezey, B. 2003. Green Power Marketing in theR. , Aabakken, J. 2002. Green Power Marketing Abroad: RecentHolt, E. , Holt, M. 2004. Green Pricing Resource Guide.

Wiser, Ryan; Olson, Scott; Bird, Lori; Swezey, Blair


Note: This page contains sample records for the topic "ther mal decomposition" from the National Library of EnergyBeta (NLEBeta).
While these samples are representative of the content of NLEBeta,
they are not comprehensive nor are they the most current set.
We encourage you to perform a real-time search of NLEBeta
to obtain the most current and comprehensive results.


A pragmatic approach to structure based calculation of coupled proton and electron transfer in proteins  

E-Print Network (OSTI)

in proteins M.R. Gunner, E. Alexov Physics Department City College of New York, 138th St. and Convent Ave can currently use an atomic structure to derive all of the rates and ther- modynamic parameters

Gunner, Marilyn



E-Print Network (OSTI)

Selected Values of the Thermodynamic Properties of theSelected Values of the Thermodynamic Properties of theR. Pong, M.S. Thesis, "Thermodynamic Studies of Ga-In, Ga-Sb

Anderson, T.J.



DOE Challenge Home Verification  

NLE Websites -- All DOE Office Websites (Extended Search)

rgy use Estimated annual energy savings Electric: 10825 kWh Natural Gas: 773 Therms Electr ic: 4081 kWh Natural gas: 1171 Ther ms Ene rgy c o st rate s Estimated annual...


Pr opagation of mist dislocations from AlN/Si int erface int ...  

needs to be gro wn using foreign substrat es such as Al 2 O 3 or SiC. Ther efore, differe nt appr oaches need to be applied, such as lat eral



E-Print Network (OSTI)

spensable tool in science, complementary to theory and experiment. It builds ...... mal experimental design of a catalytic fixed bed reactor, in Proceedings of 18th...


Investigations into the biosynthesis of salinosporamide A : new insights on PKS extender units and the origin of a nonproteinogenic amino acid  

E-Print Network (OSTI)

A. A. ; Dick, L. R. ; Grenier, L. ; Klunder, J. M. ; Ma,L. R. ; Cruikshank, A. A. ; Grenier, L. ; Melandri, F. D. ;

Liu, Yuan



Competing, Coverage-Dependent Decomposition Pathways for C2Hy Species on Nickel (111) Jonathan E. Mueller,  

E-Print Network (OSTI)

reasons. Nickel is the primary catalyst in the steam reforming process for converting methane and water in which it typically selects for methane production.4 More recently, nickel has also been used extensively

Goddard III, William A.


MOD silver metallization for photovoltaics. Quarterly technical report, December 1, 1983-February 29, 1984. [Metallo-organic decomposition  

DOE Green Energy (OSTI)

It was determined that pyrolysis products can produce dark surface films on MOD silver conductors. Improving the purity of all ink ingredients helped this problem. It was established that the existence and nature of the surface film is influenced by the rate of air flow during firing and by the heating rate in the 70 to 225/sup 0/C range, but these processing parameters have not as yet been optimized. Low temperature solvent removal was determined to be of prime importance in obtaining good adhesion between the MOD films and the substrate. For inks developed to date, 15 to 30 minutes at 60 to 70/sup 0/C was required. It was also determined that the adhesion is influenced by the air flow rate during firing, the heating rate in the 100 to 250/sup 0/C range, and the maximum firing temperature. Results during the first 3 months of effort on this project have demonstrated that it is essential to use generic compounds, and that the compounds must be prepared from high purity raw materials. It was also established that the quality and properties of the MOD silver films are intimately dependent on the time-temperature processing. All of the results obtained to date still indicate that MOD silver shows great promise for low temperature metallization of photovoltaic cells.

Vest, G.M.; Vest, R.W.



Processing Turbulence Data Collected on board the Helicopter Observation Platform (HOP) with the Empirical Mode Decomposition (EMD) Method  

Science Conference Proceedings (OSTI)

The Duke University Helicopter Observation Platform (HOP) has previously been shown to be a useful instrument for the measurement of turbulent atmospheric fluxes. As with all such measurements, especially those made from moving platforms, spurious ...

Heidi E. Holder; M. Adam Bolch; Roni Avissar



Novel Composite Hydrogen-Permeable Membranes for Non-Thermal Plasma Reactors for the Decomposition of Hydrogen Sulfide  

DOE Green Energy (OSTI)

The goal of this experimental project is to design and fabricate a reactor and membrane test cell to dissociate hydrogen sulfide (H{sub 2}S) in a non-thermal plasma and recover hydrogen (H{sub 2}) through a superpermeable multi-layer membrane. Superpermeability of hydrogen atoms (H) has been reported by some researchers using membranes made of Group V transition metals (niobium, tantalum, vanadium, and their alloys), although it has yet to be confirmed in this study. A pulsed corona discharge (PCD) reactor has been fabricated and used to dissociate H{sub 2}S into hydrogen and sulfur. A nonthermal plasma cannot be produced in pure H{sub 2}S with our reactor geometry, even at discharge voltages of up to 30 kV, because of the high dielectric strength of pure H{sub 2}S ({approx}2.9 times higher than air). Therefore, H{sub 2}S was diluted in another gas with lower breakdown voltage (or dielectric strength). Breakdown voltages of H{sub 2}S in four balance gases (Ar, He, N{sub 2} and H{sub 2}) have been measured at different H{sub 2}S concentrations and pressures. Breakdown voltages are proportional to the partial pressure of H{sub 2}S and the balance gas. H{sub 2}S conversion and the reaction energy efficiency depend on the balance gas and H{sub 2}S inlet concentrations. With increasing H{sub 2}S concentrations, H{sub 2}S conversion initially increases, reaches a maximum, and then decreases. H{sub 2}S conversion in atomic balance gases, such as Ar and He, is more efficient than that in diatomic balance gases, such as N{sub 2} and H{sub 2}. These observations can be explained by the proposed reaction mechanism of H{sub 2}S dissociation in different balance gases. The results show that nonthermal plasmas are effective for dissociating H{sub 2}S into hydrogen and sulfur.

Morris D. Argyle; John F. Ackerman; Suresh Muknahallipatna; Jerry C. Hamann; Stanislaw Legowski; Guibling Zhao; Ji-Jun Zhang; Sanil John



Competitive Vaporization and Decomposition of Liquid RDX Gregory T. Long, Sergey Vyazovkin, Brittany A. Brems, and Charles A. Wight*  

E-Print Network (OSTI)

Collaboratory for Advanced Computing and Simulations, Department of Physics & Astronomy, Department of Chemical at the Collaboratory for Advanced Computing and Simulations. 1K. L. McNesby, A. W. Miziolek, T. Nguyen, F. C. Delucia 78, 024304 (2008). 74J. Rylance and D. Stubley, Thermochim. Acta 13, 253 (1975). 75J. F. Baytos

Utah, University of


Continuum-based sensitivity analysis for coupled atomistic and continuum simulations for 2-D applications using bridging scale decomposition  

Science Conference Proceedings (OSTI)

The concept of linking simulations at multiple length and time scales is found useful for studying local physical phenomena such as crack propagation. Many multi-scale methods, which couple molecular dynamics models with continuum models, have been proposed ... Keywords: Bridging scale method, Design sensitivity analysis, Multi-scale simulation

Yunxiang Wang, Kuang-Hua Chang



Energy savings and structural changes in the U.S. economy: Evidence from disaggregated data using decomposition techniques  

E-Print Network (OSTI)

declining average energy intensity indicator. Our structuraleconomy-wide indicator of delivered energy intensity fell byenergy intensities, with an eye to indirect measures or indicators

Murtishaw, Scott; Schipper, Lee



*Corresponding Author. The Contributions of Economic Fundamentals and Risk Premium to Movements in Exchange Rates: A State-Space Decomposition  

E-Print Network (OSTI)

It has been a puzzle in the literature that fundamental variables do not help forecast the future exchange rate change better than the random walk benchmark. Recently Engel and West (2005, 2006) show that such a result can be explained by the present value model of the exchange rate if the discount factor for the expectation of future fundamental variables is close to one and the fundamental variables are I(1). In this work we propose a novel approach to offer an empirical evaluation of these exchange rate models. We develop a state-space framework in which the expectations of the fundamentals growth and the risk premium are modeled as latent factors and then are integrated into a stylized present value model of the exchange rate. This approach allows us not only to directly estimate the discount factor but also to study the expectation dynamics that are important in evaluating these exchange rate models. We estimate these models using a century of data for the US and UK. One of our major findings is that the discount factor is indeed very close to unity, lending support to Engel and West (2005, 2006). Furthermore, the estimated expectation dynamics suggest that the expected future fundamentals may explain a large portion of the exchange rate movement. We postulate two major reasons for why fundamentals have

Nathan S. Balke; Jun Ma; Mark E. Wohar



The chemical reactor for the decomposition of sulphuric acid for the hybrid sulphur process / Martin-David Coetzee.  

E-Print Network (OSTI)

??The utilisation of alternate sources of energy has reached critical levels due to the constantly growing demand for energy and the diminishing of fossil fuels. (more)

Coetzee, Martin-David



Decomposition of Uncertainties between Coarse MM5Noah-Simulated and Fine ASAR-Retrieved Soil Moisture over Central Tibet  

Science Conference Proceedings (OSTI)

Understanding the sources of uncertainty that cause deviations between simulated and satellite-observed states can facilitate optimal usage of these products via data assimilation or calibration techniques. A method is presented for separating ...

Rogier van der Velde; Mhd. Suhyb Salama; Marcel D. van Helvoirt; Zhongbo Su; Yaoming Ma



Size dependent study of MeOH decomposition over size-selected Pt nanoparticles synthesized via micelle encapsulation  

E-Print Network (OSTI)

is high. Solar electric power generation uses banks of solar cells to convert the energy of the sun, December 2001 #12;Hydrogen Fuel Cell Engines MODULE 2: HYDROGEN USE PAGE 2-8 Key Points & Notes This solarW) in bright sunlight. The power is supplied at 360 VDC with a maximum current of 103 A. Figure 2-5 Solar Cell

Kik, Pieter


Spectral Decomposition of Two-Dimensional Atmospheric Fields on Limited-Area Domains Using the Discrete Cosine Transform (DCT)  

Science Conference Proceedings (OSTI)

For most atmospheric fields, the larger part of the spatial variance is contained in the planetary scales. When examined over a limited area, these atmospheric fields exhibit an aperiodic structure, with large trends across the domain. Trying to ...

Bertrand Denis; Jean Ct; Ren Laprise



Regularizing the Satellite Temperature-Retrieval Problem through Singular-Value Decomposition of the Radiative Transfer Physics  

Science Conference Proceedings (OSTI)

A new method is derived for retrieving atmospheric temperature profiles from satellite-measured spectral radiance that appears, in first tests, to effectively circumvent certain difficulties of other well-known and implemented methods. In ...

Owen E. Thompson




DOE Green Energy (OSTI)

The goal of this experimental project is to design and fabricate a reactor and membrane test cell to dissociate hydrogen sulfide (H{sub 2}S) in a non-thermal plasma and recover hydrogen (H{sub 2}) through a superpermeable multi-layer membrane. Superpermeability of hydrogen atoms (H) has been reported by some researchers using membranes made of Group V transition metals (niobium, tantalum, vanadium, and their alloys), although it has yet to be confirmed in this study. Experiments involving methane conversion reactions were conducted with a preliminary pulsed corona discharge reactor design in order to test and improve the reactor and membrane designs using a non-toxic reactant. This report details the direct methane conversion experiments to produce hydrogen, acetylene, and higher hydrocarbons utilizing a co-axial cylinder (CAC) corona discharge reactor, pulsed with a thyratron switch. The reactor was designed to accommodate relatively high flow rates (655 x 10{sup -6} m{sup 3}/s) representing a pilot scale easily converted to commercial scale. Parameters expected to influence methane conversion including pulse frequency, charge voltage, capacitance, residence time, and electrode material were investigated. Conversion, selectivity and energy consumption were measured or estimated. C{sub 2} and C{sub 3} hydrocarbon products were analyzed with a residual gas analyzer (RGA). In order to obtain quantitative results, the complex sample spectra were de-convoluted via a linear least squares method. Methane conversion as high as 51% was achieved. The products are typically 50%-60% acetylene, 20% propane, 10% ethane and ethylene, and 5% propylene. First Law thermodynamic energy efficiencies for the system (electrical and reactor) were estimated to range from 38% to 6%, with the highest efficiencies occurring at short residence time and low power input (low specific energy) where conversion is the lowest (less than 5%). The highest methane conversion of 51% occurred at a residence time of 18.8 s with a flow rate of 39.4 x 10{sup -6} m{sup 3}/s (5 ft{sup 3}/h) and a specific energy of 13,000 J/l using niobium and platinum coated stainless steel tubes as cathodes. Under these conditions, the First Law efficiency for the system was 8%. Under similar reaction conditions, methane conversions were {approx}50% higher with niobium and platinum coated stainless steel cathodes than with a stainless steel cathode.

Morris D. Argyle; John F. Ackerman; Suresh Muknahallipatna; Jerry C. Hamann; Stanislaw Legowski; Ji-Jun Zhang; Guibing Zhao; Robyn J. Alcanzare; Linna Wang; Ovid A. Plumb


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Statistical Error Decomposition of Regional-Scale Climatological Precipitation Estimates from the Tropical Rainfall Measuring Mission (TRMM)  

Science Conference Proceedings (OSTI)

Monthly rainfall estimates inferred from the NASA Tropical Rainfall Measuring Mission (TRMM) satellite contain errors due to discrete temporal sampling and remote spaceborne rain retrievals. This paper develops a regional-scale error model that ...

Brad L. Fisher



A Domain Decomposition Approach for Large-Scale Simulations of Flow Processes in Hydrate-Bearing Geologic Media  

E-Print Network (OSTI)

phase, liquid phase, ice phase, and hydrate phase). Hydratepresence of the ice and hydrate solid phases, the criticalof solid phases of lower density (such as ice and hydrate)

Zhang, Keni



A decomposition approach for optimizing large-scale parallel image composition on multi-core MPP systems  

Science Conference Proceedings (OSTI)

In recent years, multi-core processor architecture has emerged as the predominant hardware architecture for high performance computing (HPC) systems. In addition, computational nodes based on SMP (symmetric multiprocessing) and NUMA (non-uniform memory ...

J. Nonaka; K. Ono



Decomposition of old organic matter as a result of deeper active layers in a snow depth manipulation experiment  

E-Print Network (OSTI)

fate of radiocarbon from nuclear weapons testing in the mid-12C OX1;19 Prior to nuclear weapons testing and the adventdramatically due to nuclear weapons testing in the mid-

Nowinski, Nicole S.; Taneva, Lina; Trumbore, Susan E.; Welker, Jeffrey M.



Role of reaction and factors of carbon nanotubes growth in chemical Vapour decomposition process using methane: a highlight  

Science Conference Proceedings (OSTI)

One of the remarkable achievements in the field of nanotechnology is Carbon Nanotubes (CNT) synthesis. Since their discovery in 1991 by Iijima, CNTs have attracted much attention across the world. The CNTs are broadly classified into single-walled carbon ...

V. M. Sivakumar; Abdul Rahman Mohamed; Ahmad Zuhairi Abdullah; Siang-Piao Chai



Toward a Minimal Representation of Aerosols in Climate Models: Comparative Decomposition of Aerosol Direct, Semidirect, and Indirect Radiative Forcing  

SciTech Connect

The authors have decomposed the anthropogenic aerosol radiative forcing into direct contributions from each aerosol species to the planetary energy balance through absorption and scattering of solar radiation, indirect effects of anthropogenic aerosol on solar and infrared radiation through droplet and crystal nucleation on aerosol, and semidirect effects through the influence of solar absorption on the distribution of clouds. A three-mode representation of the aerosol in version 5.1 of the Community Atmosphere Model (CAM5.1) yields global annual mean radiative forcing estimates for each of these forcing mechanisms that are within 0.1 W m2 of estimates using a more complex seven-mode representation that distinguishes between fresh and aged black carbon and primary organic matter. Simulating fresh black carbon particles separately from internally mixed accumulation mode particles is found to be important only near fossil fuel sources. In addition to the usual large indirect effect on solar radiation, this study finds an unexpectedly large positive longwave indirect effect (because of enhanced cirrus produced by homogenous nucleation of ice crystals on anthropogenic sulfate), small shortwave and longwave semidirect effects, and a small direct effect (because of cancelation and interactions of direct effects of black carbon and sulfate). Differences between the threemode and seven-mode versions are significantly larger (up to 0.2 W m2) when the hygroscopicity of primary organic matter is decreased from 0.1 to 0 and transfer of the primary carbonaceous aerosol to the accumulation mode in the seven-mode version requires more hygroscopic material coating the primary particles. Radiative forcing by cloudborne anthropogenic black carbon is only 20.07 W m2.

Ghan, Steven J.; Liu, Xiaohong; Easter, Richard C.; Zaveri, Rahul A.; Rasch, Philip J.; Yoon, Jin-Ho; Eaton, Brian



Applying the HilbertHuang Decomposition to Horizontal Light Propagation C2 Mark P. J. L. Chang  

E-Print Network (OSTI)

in the atmosphere, numerical simulation of a dust event during the Puerto Rico Dust Experiment (PRIDE) is presented models, es- pecially regional models. Using a case study of a dust event observed during the Puerto Rico and the Area of Study The area of study (Figure 1) is centered on Puerto Rico which was also the base

Chang, Mark J. L.


Fluctuations in the unimolecular decomposition of jet-cooled N02 : Implications for overlapping resonances and the transition state  

E-Print Network (OSTI)

that these ecosystems are sensitive and vulnerable to anthropic pressure (pumping) and/or to global climate change. tel

Reisler, Hanna


Decomposition of old organic matter as a result of deeper active layers in a snow depth manipulation experiment  

E-Print Network (OSTI)

glass incu- bation jars for heterotrophic respirationair was pumped into the jars, after which they were sealed,Trumbore 1995). Air in the jars was replaced with CO 2 -free

Nowinski, Nicole S.; Taneva, Lina; Trumbore, Susan E.; Welker, Jeffrey M.



Fourier decomposition and frequency analysis of the pulsating stars with PRRc and RRab variables. Separation criteria and particularities  

E-Print Network (OSTI)

The OGLE database is revisited to investigate in more detail the properties of the Fourier parameters. Methodological improvements led us to identify a clear separation among High-Amplitude Delta Scuti (HADS), RRc and RRab stars. The bimodal distribution of the R21 parameter in HADS stars is explained as a contamination effect from RRc stars: there is evidence that all stars with 0.20RRc variables. The previously claimed existence of a subclass of unusual HADS is demonstrated to be a spurious result. Candidate overtone pulsators are found among HADS and RRc variables. The properties of the Fourier parameters are discussed as a function of the physical conditions in the stars involved. Among the field RRab stars we detected different light-curve groups producing distinct "tails" in the Fourier plots for P>0.55 d; evolutionary phases or the combination of different physical conditions (not only metallicity) are suggested to explain this separation, observed also in the cluster RRab stars. The stellar parameters of RRc stars in a given globular cluster show different tendencies than those of RRc stars from different clusters.

Ennio Poretti



Fourier decomposition and frequency analysis of the pulsating stars with PRRc and RRab variables. Separation criteria and particularities  

E-Print Network (OSTI)

The OGLE database is revisited to investigate in more detail the properties of the Fourier parameters. Methodological improvements led us to identify a clear separation among High-Amplitude Delta Scuti (HADS), RRc and RRab stars. The bimodal distribution of the R21 parameter in HADS stars is explained as a contamination effect from RRc stars: there is evidence that all stars with 0.200.55 d; evolutionary phases or the combination of different physical conditions (not only metallicity) are suggested to explain this separation, observed also in the cluster RRab stars. The stellar parameters of RRc stars in a given globular cluster show different tendencies than those of RRc stars from different clusters.

Poretti, E



Development of numerical models of vertical ground heat exchangers and experimental verification : domain decomposition and state model reduction approach.  

E-Print Network (OSTI)

??Ground-source heat pump systems with vertical ground heat exchangers (GHE) are gaining popularity worldwide for their higher coefficients of performance and lower CO2 emissions. However, (more)

KIM, Eui-Jong



Toward a Minimal Representation of Aerosols in Climate Models: Comparative Decomposition of Aerosol Direct, Semidirect, and Indirect Radiative Forcing  

Science Conference Proceedings (OSTI)

The authors have decomposed the anthropogenic aerosol radiative forcing into direct contributions from each aerosol species to the planetary energy balance through absorption and scattering of solar radiation, indirect effects of anthropogenic ...

S. J. Ghan; X. Liu; R. C. Easter; R. Zaveri; P. J. Rasch; J.-H. Yoon; B. Eaton



Energy savings and structural changes in the U.S. economy: Evidence from disaggregated data using decomposition techniques  

E-Print Network (OSTI)

without the savings in energy, U.S. consumption would havecan measure how much less energy the U.S. economy is usingEnd-Use Energy Consumption Estimates for U.S. Commercial

Murtishaw, Scott; Schipper, Lee



Thermal decomposition of expanded polystyrene in a pebble bed reactor to get higher liquid fraction yield at low temperatures  

Science Conference Proceedings (OSTI)

Expanded polystyrene is one of the polymers produced in large quantities due to its versatile application in different fields. This polymer is one of the most intractable components in municipal solid waste. Disposal of polymeric material by pyrolysis or catalytic cracking yields valuable hydrocarbon fuels or monomers. Literature reports different types of reactors and arrangements that have uniform temperatures during pyrolysis and catalytic cracking. The present study focuses on reducing the temperature to maximize the quantity of styrene monomer in the liquid product. A bench scale reactor has been developed to recover the styrene monomer and other valuable chemicals. Experiments were carried under partial oxidation and vacuum conditions in the temperature range of 300-500 deg. C. In the pyrolysis optimization studies, the best atmospheric condition was determined to be vacuum, the pyrolysis temperature should be 500 deg. C, yield of liquid product obtained was 91.7% and yield of styrene obtained was 85.5%. In the characterization studies, distillation and IR spectroscopy experiments were carried out. The remaining of the liquid product comprises of benzene, ethyl benzene, and styrene dimers and trimers.

Chauhan, R.S. [Energy Center, School of Mechanical and Building Sciences, Vellore Institute of Technology, Vellore - 632 014, Tamilnadu (India) and Department of Chemical Engineering, School of Bio-Tech and Chemical Engineering, Vellore Institute of Technology, Vellore - 632 014, Tamilnadu (India)], E-mail: rahul.singh.chauhan.1983@gmail.com; Gopinath, S. [Department of Chemical Engineering, School of Bio-Tech and Chemical Engineering, Vellore Institute of Technology, Vellore - 632 014, Tamilnadu (India); Razdan, P.; Delattre, C. [Vellore Institute of Technology (VIT) University, Vellore - 632 014, Tamilnadu (India); Nirmala, G.S. [Department of Chemical Engineering, School of Bio-Tech and Chemical Engineering, Vellore Institute of Technology, Vellore - 632 014, Tamilnadu (India); Natarajan, R. [Energy Center, School of Mechanical and Building Sciences, Vellore Institute of Technology, Vellore - 632 014, Tamilnadu (India)



Investigation of Vertical and Horizontal Momentum Transfer in the Gulf of Mexico Using Empirical Mode Decomposition Method  

E-Print Network (OSTI)

Investigation of Vertical and Horizontal Momentum Transfer in the Gulf of Mexico Using Empirical of deep mooring stations in the Gulf of Mexico (GOM) have been analyzed with the newly developed empirical are in general agreement with the modeled results by Oey and Lee. 1. Introduction The Gulf of Mexico (GOM


Biogeochemical Signatures in Precambrian Black Shales: Window Into the Co-Evolution of Ocean Chemistry and Life on Earth  

E-Print Network (OSTI)

of shales: the relative roles of production, decomposition,of shales: the relative roles of production, decomposition,

Scott, Clinton



Microsoft Word - figure_17.doc  

Gasoline and Diesel Fuel Update (EIA)

5 5 C ommercial All O ther States W isconsin Minnesota Pennsylvania Michigan O hio N ew Jersey Texas California N ew York Illinois 0.0 0.5 1.0 1.5 2.0 2.5 3.0 Trillion C ubic Feet Residential Indiana G eorgia N ew Jersey Pennsylvania Texas O hio Michigan Illinois California All O ther States N ew York 0.0 0.5 1.0 1.5 2.0 2.5 3.0 Trillion C ubic Feet Figure 17. Natural Gas Delivered to Consumers in the United States, 2010 Volumes in Million Cubic Feet Trillion Cubic Feet Trillion Cubic Feet E lectric P ower 7,387,184 34% Industrial 6,517,477 30% C om m ercial 3,101,675 14% R esidential 4,787,320 22% Industrial All O ther States Minnesota Iowa Pennsylvania O klahoma Illinois O hio Indiana Louisiana Texas California 0.0 0.5 1.0 1.5 2.0 2.5 3.0 E lectric Power All O ther States Arizona Mississippi Louisiana Alabama


Evolution from A +2 Defect to +1/2 Defects in a Cylindrical Geometry  

E-Print Network (OSTI)

the dissipation and the rate of change of free energy, which includes the elastic, ther- motropic and surface-panel displays. It is the susceptibility of liquid crystals to external (electric or magnetic) fields [1 on liquid crystals are now centred around this theme and a good historical overview including the avenues

Miroshnychenko, Dmitri


Abstract--This paper addresses the problem of interaction between short run and long run locational signals and the coordination between generation investments and lumpy transmission  

E-Print Network (OSTI)

electricity from distributed producers, and also sell electric- ity to consumers, via a Tariff Market­a new and selling electricity. The Tariff Market design, explained fur- ther in Section 2, incentivizes Broker a Wholesale Market where electricity can be traded in larger quantities. Let T be a Tariff Market consisting

Paris-Sud XI, Université de