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

Liang, Linyun; Mei, Zhi -Gang; Kim, Yeon Soo

A mesoscale model is developed by integrating the rate theory and phase-field models and is used to study the fission-induced recrystallization in U-7Mo alloy. The rate theory model is used to predict the dislocation density and the recrystallization nuclei density due to irradiation. The predicted fission rate and temperature dependences of the dislocation density are in good agreement with experimental measurements. This information is used as input for the multiphase phase-field model to investigate the fission-induced recrystallization kinetics. The simulated recrystallization volume fraction and bubble induced swelling agree well with experimental data. The effects of the fission rate, initial grainmore » size, and grain morphology on the recrystallization kinetics are discussed based on an analysis of recrystallization growth rate using the modified Avrami equation. Here, we conclude that the initial microstructure of the U-Mo fuels, especially the grain size, can be used to effectively control the rate of fission-induced recrystallization and therefore swelling.« less

Catalytic Hydrotreatment for the Development of Renewable Transportation Fuels

NASA Astrophysics Data System (ADS)

Funkenbusch, LiLu Tian

Biologically-derived feedstocks are a highly desirable source of renewable transportation fuel. They can be grown renewably and can produce fuels similar in composition to conventional fossil fuels. They are also versatile and wide-ranging. Plant oils can produce renewable diesel and wood-based pyrolysis oils can be made into renewable gasoline. Catalytic hydrotreatment can be used to reduce the oxygen content of the oils and increase their viability as a "drop-in" transportation fuel, since they can then easily be blended with existing petroleum-based fuels. However, product distribution depends strongly on feedstock composition and processing parameters, especially temperature and type of catalyst. Current literature contains relatively little relevant information for predicting process-level data in a way that can be used for proper life cycle or techno-economic assessment. For pyrolysis oil, the associated reaction pathways have been explored via experimental studies on model compounds in a bench scale hydrotreatment reactor. The reaction kinetics of each compound were studied as a function of temperature and catalyst. This experimental data is used to determine rate constants for a hybrid, lumped-parameter kinetic model of paradigm compounds and pyrolysis oil, which can be used to scale-up this process to simulate larger, pilot-scale reactors. For plant oils, some appropriate data was found in the literature and adapted for a preliminary model, while some experimental data was also collected using the same reactor constructed for the pyrolysis oil studies. With a systematic collection of kinetic data, hydrotreatment models can be developed that can predict important life cycle assessment inputs, such as hydrogen consumption, energy consumption and greenhouse gas production, which are necessary for regulatory and assessment purposes. As a demonstration of how this model can be incorporated into assessment tools, a technoeconomic analysis was performed on the hydrothermal liquefaction of lignin from a pulp mill, with some of the products sent to a refinery to create biofuel and some of the products used to create BTEX. The process-level model developed earlier was used to model hydrotreatment reactors used to generate commodity chemical co-products from phenolic compounds. Overall, this process showed promise and, with improving separations technology, could be a valuable source of revenue for pulp mills and refiners. However, in order to be truly profitable, the minimum selling price of the biofuel would need to be between 3.52 and 3.96 per gallon.

Carbonate-mediated Fe(II) oxidation in the air-cathode fuel cell: a kinetic model in terms of Fe(II) speciation.

PubMed

Song, Wei; Zhai, Lin-Feng; Cui, Yu-Zhi; Sun, Min; Jiang, Yuan

2013-06-06

Due to the high redox activity of Fe(II) and its abundance in natural waters, the electro-oxidation of Fe(II) can be found in many air-cathode fuel cell systems, such as acid mine drainage fuel cells and sediment microbial fuel cells. To deeply understand these iron-related systems, it is essential to elucidate the kinetics and mechanisms involved in the electro-oxidation of Fe(II). This work aims to develop a kinetic model that adequately describes the electro-oxidation process of Fe(II) in air-cathode fuel cells. The speciation of Fe(II) is incorporated into the model, and contributions of individual Fe(II) species to the overall Fe(II) oxidation rate are quantitatively evaluated. The results show that the kinetic model can accurately predict the electro-oxidation rate of Fe(II) in air-cathode fuel cells. FeCO3, Fe(OH)2, and Fe(CO3)2(2-) are the most important species determining the electro-oxidation kinetics of Fe(II). The Fe(II) oxidation rate is primarily controlled by the oxidation of FeCO3 species at low pH, whereas at high pH Fe(OH)2 and Fe(CO3)2(2-) are the dominant species. Solution pH, carbonate concentration, and solution salinity are able to influence the electro-oxidation kinetics of Fe(II) through changing both distribution and kinetic activity of Fe(II) species.

Design tool for estimating chemical hydrogen storage system characteristics for light-duty fuel cell vehicles

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

Brooks, Kriston P.; Sprik, Samuel J.; Tamburello, David A.

The U.S. Department of Energy (DOE) has developed a vehicle framework model to simulate fuel cell-based light-duty vehicle operation for various hydrogen storage systems. This transient model simulates the performance of the storage system, fuel cell, and vehicle for comparison to DOE’s Technical Targets using four drive cycles/profiles. Chemical hydrogen storage models have been developed for the Framework model for both exothermic and endothermic materials. Despite the utility of such models, they require that material researchers input system design specifications that cannot be easily estimated. To address this challenge, a design tool has been developed that allows researchers to directlymore » enter kinetic and thermodynamic chemical hydrogen storage material properties into a simple sizing module that then estimates the systems parameters required to run the storage system model. Additionally, this design tool can be used as a standalone executable file to estimate the storage system mass and volume outside of the framework model and compare it to the DOE Technical Targets. These models will be explained and exercised with existing hydrogen storage materials.« less

Testing of an Integrated Reactor Core Simulator and Power Conversion System with Simulated Reactivity Feedback

NASA Technical Reports Server (NTRS)

Bragg-Sitton, Shannon M.; Hervol, David S.; Godfroy, Thomas J.

2009-01-01

A Direct Drive Gas-Cooled (DDG) reactor core simulator has been coupled to a Brayton Power Conversion Unit (BPCU) for integrated system testing at NASA Glenn Research Center (GRC) in Cleveland, OH. This is a closed-cycle system that incorporates an electrically heated reactor core module, turbo alternator, recuperator, and gas cooler. Nuclear fuel elements in the gas-cooled reactor design are replaced with electric resistance heaters to simulate the heat from nuclear fuel in the corresponding fast spectrum nuclear reactor. The thermodynamic transient behavior of the integrated system was the focus of this test series. In order to better mimic the integrated response of the nuclear-fueled system, a simulated reactivity feedback control loop was implemented. Core power was controlled by a point kinetics model in which the reactivity feedback was based on core temperature measurements; the neutron generation time and the temperature feedback coefficient are provided as model inputs. These dynamic system response tests demonstrate the overall capability of a non-nuclear test facility in assessing system integration issues and characterizing integrated system response times and response characteristics.

Testing of an Integrated Reactor Core Simulator and Power Conversion System with Simulated Reactivity Feedback

NASA Technical Reports Server (NTRS)

Bragg-Sitton, Shannon M.; Hervol, David S.; Godfroy, Thomas J.

2010-01-01

A Direct Drive Gas-Cooled (DDG) reactor core simulator has been coupled to a Brayton Power Conversion Unit (BPCU) for integrated system testing at NASA Glenn Research Center (GRC) in Cleveland, Ohio. This is a closed-cycle system that incorporates an electrically heated reactor core module, turboalternator, recuperator, and gas cooler. Nuclear fuel elements in the gas-cooled reactor design are replaced with electric resistance heaters to simulate the heat from nuclear fuel in the corresponding fast spectrum nuclear reactor. The thermodynamic transient behavior of the integrated system was the focus of this test series. In order to better mimic the integrated response of the nuclear-fueled system, a simulated reactivity feedback control loop was implemented. Core power was controlled by a point kinetics model in which the reactivity feedback was based on core temperature measurements; the neutron generation time and the temperature feedback coefficient are provided as model inputs. These dynamic system response tests demonstrate the overall capability of a non-nuclear test facility in assessing system integration issues and characterizing integrated system response times and response characteristics.

40 CFR 60.44 - Standard for nitrogen oxides (NOX).

Code of Federal Regulations, 2010 CFR

2010-07-01

... (CONTINUED) STANDARDS OF PERFORMANCE FOR NEW STATIONARY SOURCES Standards of Performance for Fossil-Fuel...) derived from gaseous fossil fuel. (2) 129 ng/J heat input (0.30 lb/MMBtu) derived from liquid fossil fuel, liquid fossil fuel and wood residue, or gaseous fossil fuel and wood residue. (3) 300 ng/J heat input (0...

40 CFR 60.44 - Standard for nitrogen oxides (NOX).

Code of Federal Regulations, 2011 CFR

2011-07-01

... (CONTINUED) STANDARDS OF PERFORMANCE FOR NEW STATIONARY SOURCES Standards of Performance for Fossil-Fuel...) derived from gaseous fossil fuel. (2) 129 ng/J heat input (0.30 lb/MMBtu) derived from liquid fossil fuel, liquid fossil fuel and wood residue, or gaseous fossil fuel and wood residue. (3) 300 ng/J heat input (0...

Experimental and numerical investigation of laminar flame speeds of hydrogen/carbon monoxide/carbon dioxide/nitrogen mixtures

NASA Astrophysics Data System (ADS)

Natarajan, Jayaprakash

Coal derived synthetic gas (syngas) fuel is a promising solution for today's increasing demand for clean and reliable power. Syngas fuels are primarily mixtures of H2 and CO, often with large amounts of diluents such as N2, CO2, and H2O. The specific composition depends upon the fuel source and gasification technique. This requires gas turbine designers to develop fuel flexible combustors capable of operating with high conversion efficiency while maintaining low emissions for a wide range of syngas tact mixtures. Design tools often used in combustor development require data on various fundamental gas combustion properties. For example, laminar flame speed is often an input as it has a significant impact upon the size and static stability of the combustor. Moreover it serves as a good validation parameter for leading kinetic models used for detailed combustion simulations. Thus the primary objective of this thesis is measurement of laminar flame speeds of syngas fuel mixtures at conditions relevant to ground-power gas turbines. To accomplish this goal, two flame speed measurement approaches were developed: a Bunsen flame approach modified to use the reaction zone area in order to reduce the influence of flame curvature on the measured flame speed and a stagnation flame approach employing a rounded bluff body. The modified Bunsen flame approach was validated against stretch-corrected approaches over a range of fuels and test conditions; the agreement is very good (less than 10% difference). Using the two measurement approaches, extensive flame speed information were obtained for lean syngas mixtures at a range of conditions: (1) 5 to 100% H2 in the H2/CO fuel mixture; (2) 300-700 K preheat temperature; (3) 1 to 15 atm pressure, and (4) 0-70% dilution with CO2 or N2. The second objective of this thesis is to use the flame speed data to validate leading kinetic mechanisms for syngas combustion. Comparisons of the experimental flame speeds to those predicted using detailed numerical simulations of strained and untrained laminar flames indicate that all the current kinetic mechanisms tend to over predict the increase in flame speed with preheat temperature for medium and high H2 content fuel mixtures. A sensitivity analysis that includes reported uncertainties in rate constants reveals that the errors in the rate constants of the reactions involving HO 2 seem to be the most likely cause for the observed higher preheat temperature dependence of the flame speeds. To enhance the accuracy of the current models, a more detailed sensitivity analysis based on temperature dependent reaction rate parameters should be considered as the problem seems to be in the intermediate temperature range (˜800-1200 K).

Chemical kinetics of octane sensitivity in a spark-ignition engine (Chemical Kinetics of Octane Sensitivity in a Spark Ignition Engine)

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

Westbrook, Charles K.; Mehl, Marco; Pitz, William J.

This article uses a chemical kinetic modeling approach to study the influences of fuel molecular structure on Octane Sensitivity (OS) in Spark Ignition (SI) engines. Octane Sensitivity has the potential to identify fuels that can be used in next-generation high compression, turbocharged SI engines to avoid unwanted knocking conditions and extend the range of operating conditions that can be used in such engines. While the concept of octane numbers of different fuels has been familiar for many years, the variations of their values and their role in determining Octane Sensitivity have not been addressed previously in terms of the basicmore » structures of the fuel molecules. In particular, the importance of electron delocalization on low temperature hydrocarbon reactivity and its role in determining OS in engine fuel is described here for the first time. Finally, the role of electron delocalization on fuel reactivity and Octane Sensitivity is illustrated for a very wide range of engine fuel types, including n-alkane, 1-olefin, n-alcohol, and n-alkyl benzenes, and the unifying features of these fuels and their common trends, using existing detailed chemical kinetic reaction mechanisms that have been collected and unified to produce an overall model with unprecedented capabilities.« less

Chemical kinetics of octane sensitivity in a spark-ignition engine (Chemical Kinetics of Octane Sensitivity in a Spark Ignition Engine)

DOE PAGES

Westbrook, Charles K.; Mehl, Marco; Pitz, William J.; ...

2016-07-11

This article uses a chemical kinetic modeling approach to study the influences of fuel molecular structure on Octane Sensitivity (OS) in Spark Ignition (SI) engines. Octane Sensitivity has the potential to identify fuels that can be used in next-generation high compression, turbocharged SI engines to avoid unwanted knocking conditions and extend the range of operating conditions that can be used in such engines. While the concept of octane numbers of different fuels has been familiar for many years, the variations of their values and their role in determining Octane Sensitivity have not been addressed previously in terms of the basicmore » structures of the fuel molecules. In particular, the importance of electron delocalization on low temperature hydrocarbon reactivity and its role in determining OS in engine fuel is described here for the first time. Finally, the role of electron delocalization on fuel reactivity and Octane Sensitivity is illustrated for a very wide range of engine fuel types, including n-alkane, 1-olefin, n-alcohol, and n-alkyl benzenes, and the unifying features of these fuels and their common trends, using existing detailed chemical kinetic reaction mechanisms that have been collected and unified to produce an overall model with unprecedented capabilities.« less

Characteristics of SME biodiesel-fueled diesel particle emissions and the kinetics of oxidation.

PubMed

Jung, Heejung; Kittelson, David B; Zachariah, Michael R

2006-08-15

Biodiesel is one of the most promising alternative diesel fuels. As diesel emission regulations have become more stringent, the diesel particulate filter (DPF) has become an essential part of the aftertreatment system. Knowledge of kinetics of exhaust particle oxidation for alternative diesel fuels is useful in estimating the change in regeneration behavior of a DPF with such fuels. This study examines the characteristics of diesel particulate emissions as well as kinetics of particle oxidation using a 1996 John Deere T04045TF250 off-highway engine and 100% soy methyl ester (SME) biodiesel (B100) as fuel. Compared to standard D2 fuel, this B100 reduced particle size, number, and volume in the accumulation mode where most of the particle mass is found. At 75% load, number decreased by 38%, DGN decreased from 80 to 62 nm, and volume decreased by 82%. Part of this decrease is likely associated with the fact that the particles were more easily oxidized. Arrhenius parameters for the biodiesel fuel showed a 2-3times greater frequency factor and approximately 6 times higher oxidation rate compared to regular diesel fuel in the range of 700-825 degrees C. The faster oxidation kinetics should facilitate regeneration when used with a DPF.

40 CFR 60.43 - Standard for sulfur dioxide (SO2).

Code of Federal Regulations, 2014 CFR

2014-07-01

... (CONTINUED) STANDARDS OF PERFORMANCE FOR NEW STATIONARY SOURCES Standards of Performance for Fossil-Fuel.../J heat input (0.80 lb/MMBtu) derived from liquid fossil fuel or liquid fossil fuel and wood residue. (2) 520 ng/J heat input (1.2 lb/MMBtu) derived from solid fossil fuel or solid fossil fuel and wood...

40 CFR 60.43 - Standard for sulfur dioxide (SO2).

Code of Federal Regulations, 2012 CFR

2012-07-01

... (CONTINUED) STANDARDS OF PERFORMANCE FOR NEW STATIONARY SOURCES Standards of Performance for Fossil-Fuel.../J heat input (0.80 lb/MMBtu) derived from liquid fossil fuel or liquid fossil fuel and wood residue. (2) 520 ng/J heat input (1.2 lb/MMBtu) derived from solid fossil fuel or solid fossil fuel and wood...

40 CFR 60.43 - Standard for sulfur dioxide (SO2).

Code of Federal Regulations, 2013 CFR

2013-07-01

... (CONTINUED) STANDARDS OF PERFORMANCE FOR NEW STATIONARY SOURCES Standards of Performance for Fossil-Fuel.../J heat input (0.80 lb/MMBtu) derived from liquid fossil fuel or liquid fossil fuel and wood residue. (2) 520 ng/J heat input (1.2 lb/MMBtu) derived from solid fossil fuel or solid fossil fuel and wood...

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

NASA Technical Reports Server (NTRS)

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

2009-01-01

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

The Gaseous Explosive Reaction : A Study of the Kinetics of Composite Fuels

NASA Technical Reports Server (NTRS)

Stevens, F W

1929-01-01

This report deals with the results of a series of studies of the kinetics of gaseous explosive reactions where the fuel under observation, instead of being a simple gas, is a known mixture of simple gases. In the practical application of the gaseous explosive reaction as a source of power in the gas engine, the fuels employed are composite, with characteristics that are apt to be due to the characteristics of their components and hence may be somewhat complex. The simplest problem that could be proposed in an investigation either of the thermodynamics or kinetics of the gaseous explosive reaction of a composite fuel would seem to be a separate study of the reaction characteristics of each component of the fuel and then a study of the reaction characteristics of the various known mixtures of those components forming composite fuels more and more complex. (author)

Mesoscale model for fission-induced recrystallization in U-7Mo alloy

DOE PAGES

Liang, Linyun; Mei, Zhi -Gang; Kim, Yeon Soo; ...

2016-08-09

A mesoscale model is developed by integrating the rate theory and phase-field models and is used to study the fission-induced recrystallization in U-7Mo alloy. The rate theory model is used to predict the dislocation density and the recrystallization nuclei density due to irradiation. The predicted fission rate and temperature dependences of the dislocation density are in good agreement with experimental measurements. This information is used as input for the multiphase phase-field model to investigate the fission-induced recrystallization kinetics. The simulated recrystallization volume fraction and bubble induced swelling agree well with experimental data. The effects of the fission rate, initial grainmore » size, and grain morphology on the recrystallization kinetics are discussed based on an analysis of recrystallization growth rate using the modified Avrami equation. Here, we conclude that the initial microstructure of the U-Mo fuels, especially the grain size, can be used to effectively control the rate of fission-induced recrystallization and therefore swelling.« less

Application of Radiation Chemistry to Some Selected Technological Issues Related to the Development of Nuclear Energy.

PubMed

Bobrowski, Krzysztof; Skotnicki, Konrad; Szreder, Tomasz

2016-10-01

The most important contributions of radiation chemistry to some selected technological issues related to water-cooled reactors, reprocessing of spent nuclear fuel and high-level radioactive wastes, and fuel evolution during final radioactive waste disposal are highlighted. Chemical reactions occurring at the operating temperatures and pressures of reactors and involving primary transients and stable products from water radiolysis are presented and discussed in terms of the kinetic parameters and radiation chemical yields. The knowledge of these parameters is essential since they serve as input data to the models of water radiolysis in the primary loop of light water reactors and super critical water reactors. Selected features of water radiolysis in heterogeneous systems, such as aqueous nanoparticle suspensions and slurries, ceramic oxides surfaces, nanoporous, and cement-based materials, are discussed. They are of particular concern in the primary cooling loops in nuclear reactors and long-term storage of nuclear waste in geological repositories. This also includes radiation-induced processes related to corrosion of cladding materials and copper-coated iron canisters, dissolution of spent nuclear fuel, and changes of bentonite clays properties. Radiation-induced processes affecting stability of solvents and solvent extraction ligands as well oxidation states of actinide metal ions during recycling of the spent nuclear fuel are also briefly summarized.

Mass, energy and material balances of SRF production process. Part 3: solid recovered fuel produced from municipal solid waste.

PubMed

Nasrullah, Muhammad; Vainikka, Pasi; Hannula, Janne; Hurme, Markku; Kärki, Janne

2015-02-01

This is the third and final part of the three-part article written to describe the mass, energy and material balances of the solid recovered fuel production process produced from various types of waste streams through mechanical treatment. This article focused the production of solid recovered fuel from municipal solid waste. The stream of municipal solid waste used here as an input waste material to produce solid recovered fuel is energy waste collected from households of municipality. This article presents the mass, energy and material balances of the solid recovered fuel production process. These balances are based on the proximate as well as the ultimate analysis and the composition determination of various streams of material produced in a solid recovered fuel production plant. All the process streams are sampled and treated according to CEN standard methods for solid recovered fuel. The results of the mass balance of the solid recovered fuel production process showed that 72% of the input waste material was recovered in the form of solid recovered fuel; 2.6% as ferrous metal, 0.4% as non-ferrous metal, 11% was sorted as rejects material, 12% as fine faction and 2% as heavy fraction. The energy balance of the solid recovered fuel production process showed that 86% of the total input energy content of input waste material was recovered in the form of solid recovered fuel. The remaining percentage (14%) of the input energy was split into the streams of reject material, fine fraction and heavy fraction. The material balances of this process showed that mass fraction of paper and cardboard, plastic (soft) and wood recovered in the solid recovered fuel stream was 88%, 85% and 90%, respectively, of their input mass. A high mass fraction of rubber material, plastic (PVC-plastic) and inert (stone/rock and glass particles) was found in the reject material stream. © The Author(s) 2014.

Feasibility Study and Development of Modular Appliance Technologies, Centralized Heating (MATCH) Field Kitchen

DTIC Science & Technology

1994-07-01

including standby losses. The required input fuel rate is 261.000 Btu/hr ( LHV ) or 277,700 Btu/hr ( HHV ). The Becker burner used in the system is rated at 2...cost of -$6/gallon. Burning diesel fuel , with 20-percent excess air and a final exhaust temperature of 932°F, requires a fuel LHV input of 261,000 Btu...GPH diesel fuel burning rate, corresponding to 280.000 Btu/hr ( HHV ) input. The flue gases leave the fluid heater at a nominal temperature of 932°F

System and method for controlling ammonia levels in a selective catalytic reduction catalyst using a nitrogen oxide sensor

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

None

A system according to the principles of the present disclosure includes an air/fuel ratio determination module and an emission level determination module. The air/fuel ratio determination module determines an air/fuel ratio based on input from an air/fuel ratio sensor positioned downstream from a three-way catalyst that is positioned upstream from a selective catalytic reduction (SCR) catalyst. The emission level determination module selects one of a predetermined value and an input based on the air/fuel ratio. The input is received from a nitrogen oxide sensor positioned downstream from the three-way catalyst. The emission level determination module determines an ammonia level basedmore » on the one of the predetermined value and the input received from the nitrogen oxide sensor.« less

Emission calculations for a scramjet powered hypersonic transport

NASA Technical Reports Server (NTRS)

Lezberg, E. A.

1973-01-01

Calculations of exhaust emissions from a scramjet powered hypersonic transport burning hydrogen fuel were performed over a range of Mach numbers of 5 to 12 to provide input data for wake mixing calculations and forecasts of future levels of pollutants in the stratosphere. The calculations were performed utilizing a one-dimensional chemical kinetics computer program for the combustor and exhaust nozzle of a fixed geometry dual-mode scramjet engine. Inlet conditions to the combustor and engine size was based on a vehicle of 227,000 kg (500,000 lb) gross take of weight with engines sized for Mach 8 cruise. Nitric oxide emissions were very high for stoichiometric engine operation but for Mach 6 cruise at reduced equivalence ratio are in the range predicted for an advanced supersonic transport. Combustor designs which utilize fuel staging and rapid expansion to minimize residence time at high combustion temperatures were found to be effective in preventing nitric oxide formation from reaching equilibrium concentrations.

Study of the ion kinetic effects in ICF run-away burn using a quasi-1D hybrid model

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

Huang, Cheng -Kun; Molvig, Kim; Albright, Brian James

Here, the loss of fuel ions in the Gamow peak and other kinetic effects related to the α particles during ignition, run-away burn, and disassembly stages of an inertial confinement fusion D-T capsule are investigated with a quasi-1D hybrid volume ignition model that includes kinetic ions, fluid electrons, Planckian radiation photons, and a metallic pusher. The fuel ion loss due to the Knudsen effect at the fuel-pusher interface is accounted for by a local-loss model by with an albedo model for ions returning from the pusher wall. The tail refilling and relaxation of the fuel ion distribution are captured withmore » a nonlinear Fokker-Planck solver. Alpha heating of the fuel ions is modeled kinetically while simple models for finite alpha range and electron heating are used. This dynamical model is benchmarked with a 3 T hydrodynamic burn model employing similar assumptions. For an energetic pusher (~40 kJ) that compresses the fuel to an areal density of ~1.07g/cm 2 at ignition, the simulation shows that the Knudsen effect can substantially limit ion temperature rise in runaway burn. While the final yield decreases modestly from kinetic effects of the α particles, large reduction of the fuel reactivity during ignition and runaway burn may require a higher Knudsen loss rate compared to the rise time of the temperatures above ~25 keV when the broad D-T Gamow peak merges into the bulk Maxwellian distribution.« less

Study of the ion kinetic effects in ICF run-away burn using a quasi-1D hybrid model

DOE PAGES

Huang, Cheng -Kun; Molvig, Kim; Albright, Brian James; ...

2017-02-21

Here, the loss of fuel ions in the Gamow peak and other kinetic effects related to the α particles during ignition, run-away burn, and disassembly stages of an inertial confinement fusion D-T capsule are investigated with a quasi-1D hybrid volume ignition model that includes kinetic ions, fluid electrons, Planckian radiation photons, and a metallic pusher. The fuel ion loss due to the Knudsen effect at the fuel-pusher interface is accounted for by a local-loss model by with an albedo model for ions returning from the pusher wall. The tail refilling and relaxation of the fuel ion distribution are captured withmore » a nonlinear Fokker-Planck solver. Alpha heating of the fuel ions is modeled kinetically while simple models for finite alpha range and electron heating are used. This dynamical model is benchmarked with a 3 T hydrodynamic burn model employing similar assumptions. For an energetic pusher (~40 kJ) that compresses the fuel to an areal density of ~1.07g/cm 2 at ignition, the simulation shows that the Knudsen effect can substantially limit ion temperature rise in runaway burn. While the final yield decreases modestly from kinetic effects of the α particles, large reduction of the fuel reactivity during ignition and runaway burn may require a higher Knudsen loss rate compared to the rise time of the temperatures above ~25 keV when the broad D-T Gamow peak merges into the bulk Maxwellian distribution.« less

40 CFR 60.44 - Standard for nitrogen oxides (NOX).

Code of Federal Regulations, 2013 CFR

2013-07-01

... (CONTINUED) STANDARDS OF PERFORMANCE FOR NEW STATIONARY SOURCES Standards of Performance for Fossil-Fuel... NO2 in excess of: (1) 86 ng/J heat input (0.20 lb/MMBtu) derived from gaseous fossil fuel. (2) 129 ng/J heat input (0.30 lb/MMBtu) derived from liquid fossil fuel, liquid fossil fuel and wood residue...

40 CFR 60.44 - Standard for nitrogen oxides (NOX).

Code of Federal Regulations, 2014 CFR

2014-07-01

... (CONTINUED) STANDARDS OF PERFORMANCE FOR NEW STATIONARY SOURCES Standards of Performance for Fossil-Fuel... NO2 in excess of: (1) 86 ng/J heat input (0.20 lb/MMBtu) derived from gaseous fossil fuel. (2) 129 ng/J heat input (0.30 lb/MMBtu) derived from liquid fossil fuel, liquid fossil fuel and wood residue...

40 CFR 60.40Da - Applicability and designation of affected facility.

Code of Federal Regulations, 2011 CFR

2011-07-01

... British thermal units per hour (MMBtu/hr)) heat input of fossil fuel (either alone or in combination with... MMBtu/hr) heat input of fossil fuel (either alone or in combination with any other fuel); and (2) The... after February 28, 2005. (c) Any change to an existing fossil-fuel-fired steam generating unit to...

40 CFR 60.44 - Standard for nitrogen oxides (NOX).

Code of Federal Regulations, 2012 CFR

2012-07-01

... (CONTINUED) STANDARDS OF PERFORMANCE FOR NEW STATIONARY SOURCES Standards of Performance for Fossil-Fuel... NO2 in excess of: (1) 86 ng/J heat input (0.20 lb/MMBtu) derived from gaseous fossil fuel. (2) 129 ng/J heat input (0.30 lb/MMBtu) derived from liquid fossil fuel, liquid fossil fuel and wood residue...

40 CFR 60.40Da - Applicability and designation of affected facility.

Code of Federal Regulations, 2010 CFR

2010-07-01

... British thermal units per hour (MMBtu/hr)) heat input of fossil fuel (either alone or in combination with... MMBtu/hr) heat input of fossil fuel (either alone or in combination with any other fuel); and (2) The... after February 28, 2005. (c) Any change to an existing fossil-fuel-fired steam generating unit to...

A mathematical model for predicting fire spread in wildland fuels

Treesearch

Richard C. Rothermel

1972-01-01

A mathematical fire model for predicting rate of spread and intensity that is applicable to a wide range of wildland fuels and environment is presented. Methods of incorporating mixtures of fuel sizes are introduced by weighting input parameters by surface area. The input parameters do not require a prior knowledge of the burning characteristics of the fuel.

Simplified Two-Time Step Method for Calculating Combustion Rates and Nitrogen Oxide Emissions for Hydrogen/Air and Hydorgen/Oxygen

NASA Technical Reports Server (NTRS)

Molnar, Melissa; Marek, C. John

2005-01-01

A simplified single rate expression for hydrogen combustion and nitrogen oxide production was developed. Detailed kinetics are predicted for the chemical kinetic times using the complete chemical mechanism over the entire operating space. These times are then correlated to the reactor conditions using an exponential fit. Simple first order reaction expressions are then used to find the conversion in the reactor. The method uses a two-time step kinetic scheme. The first time averaged step is used at the initial times with smaller water concentrations. This gives the average chemical kinetic time as a function of initial overall fuel air ratio, temperature, and pressure. The second instantaneous step is used at higher water concentrations (> 1 x 10(exp -20) moles/cc) in the mixture which gives the chemical kinetic time as a function of the instantaneous fuel and water mole concentrations, pressure and temperature (T4). The simple correlations are then compared to the turbulent mixing times to determine the limiting properties of the reaction. The NASA Glenn GLSENS kinetics code calculates the reaction rates and rate constants for each species in a kinetic scheme for finite kinetic rates. These reaction rates are used to calculate the necessary chemical kinetic times. This time is regressed over the complete initial conditions using the Excel regression routine. Chemical kinetic time equations for H2 and NOx are obtained for H2/air fuel and for the H2/O2. A similar correlation is also developed using data from NASA s Chemical Equilibrium Applications (CEA) code to determine the equilibrium temperature (T4) as a function of overall fuel/air ratio, pressure and initial temperature (T3). High values of the regression coefficient R2 are obtained.

Summary of Simplified Two Time Step Method for Calculating Combustion Rates and Nitrogen Oxide Emissions for Hydrogen/Air and Hydrogen/Oxygen

NASA Technical Reports Server (NTRS)

Marek, C. John; Molnar, Melissa

2005-01-01

A simplified single rate expression for hydrogen combustion and nitrogen oxide production was developed. Detailed kinetics are predicted for the chemical kinetic times using the complete chemical mechanism over the entire operating space. These times are then correlated to the reactor conditions using an exponential fit. Simple first order reaction expressions are then used to find the conversion in the reactor. The method uses a two time step kinetic scheme. The first time averaged step is used at the initial times with smaller water concentrations. This gives the average chemical kinetic time as a function of initial overall fuel air ratio, temperature, and pressure. The second instantaneous step is used at higher water concentrations (greater than l x 10(exp -20)) moles per cc) in the mixture which gives the chemical kinetic time as a function of the instantaneous fuel and water mole concentrations, pressure and temperature (T(sub 4)). The simple correlations are then compared to the turbulent mixing times to determine the limiting properties of the reaction. The NASA Glenn GLSENS kinetics code calculates the reaction rates and rate constants for each species in a kinetic scheme for finite kinetic rates. These reaction rates are used to calculate the necessary chemical kinetic times. This time is regressed over the complete initial conditions using the Excel regression routine. Chemical kinetic time equations for H2 and NOx are obtained for H2/Air fuel and for H2/O2. A similar correlation is also developed using data from NASA's Chemical Equilibrium Applications (CEA) code to determine the equilibrium temperature (T(sub 4)) as a function of overall fuel/air ratio, pressure and initial temperature (T(sub 3)). High values of the regression coefficient R squared are obtained.

Design tool for estimating chemical hydrogen storage system characteristics for light-duty fuel cell vehicles

DOE PAGES

Brooks, Kriston P.; Sprik, Samuel J.; Tamburello, David A.; ...

2018-04-07

The U.S. Department of Energy (DOE) developed a vehicle Framework model to simulate fuel cell-based light-duty vehicle operation for various hydrogen storage systems. This transient model simulates the performance of the storage system, fuel cell, and vehicle for comparison to Technical Targets established by DOE for four drive cycles/profiles. Chemical hydrogen storage models have been developed for the Framework for both exothermic and endothermic materials. Despite the utility of such models, they require that material researchers input system design specifications that cannot be estimated easily. To address this challenge, a design tool has been developed that allows researchers to directlymore » enter kinetic and thermodynamic chemical hydrogen storage material properties into a simple sizing module that then estimates system parameters required to run the storage system model. Additionally, the design tool can be used as a standalone executable file to estimate the storage system mass and volume outside of the Framework model. Here, these models will be explained and exercised with the representative hydrogen storage materials exothermic ammonia borane (NH 3BH 3) and endothermic alane (AlH 3).« less

Design tool for estimating chemical hydrogen storage system characteristics for light-duty fuel cell vehicles

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

Brooks, Kriston P.; Sprik, Samuel J.; Tamburello, David A.

The U.S. Department of Energy (DOE) developed a vehicle Framework model to simulate fuel cell-based light-duty vehicle operation for various hydrogen storage systems. This transient model simulates the performance of the storage system, fuel cell, and vehicle for comparison to Technical Targets established by DOE for four drive cycles/profiles. Chemical hydrogen storage models have been developed for the Framework for both exothermic and endothermic materials. Despite the utility of such models, they require that material researchers input system design specifications that cannot be estimated easily. To address this challenge, a design tool has been developed that allows researchers to directlymore » enter kinetic and thermodynamic chemical hydrogen storage material properties into a simple sizing module that then estimates system parameters required to run the storage system model. Additionally, the design tool can be used as a standalone executable file to estimate the storage system mass and volume outside of the Framework model. Here, these models will be explained and exercised with the representative hydrogen storage materials exothermic ammonia borane (NH 3BH 3) and endothermic alane (AlH 3).« less

Alternative Fuel Research in Fischer-Tropsch Synthesis

NASA Technical Reports Server (NTRS)

Surgenor, Angela D.; Klettlinger, Jennifer L.; Yen, Chia H.; Nakley, Leah M.

2011-01-01

NASA Glenn Research Center has recently constructed an Alternative Fuels Laboratory which is solely being used to perform Fischer-Tropsch (F-T) reactor studies, novel catalyst development and thermal stability experiments. Facility systems have demonstrated reliability and consistency for continuous and safe operations in Fischer-Tropsch synthesis. The purpose of this test facility is to conduct bench scale Fischer-Tropsch (F-T) catalyst screening experiments while focusing on reducing energy inputs, reducing CO2 emissions and increasing product yields within the F-T process. Fischer-Tropsch synthesis is considered a gas to liquid process which reacts syn-gas (a gaseous mixture of hydrogen and carbon monoxide), over the surface of a catalyst material which is then converted into liquids of various hydrocarbon chain length and product distributions1. These hydrocarbons can then be further processed into higher quality liquid fuels such as gasoline and diesel. The experiments performed in this laboratory will enable the investigation of F-T reaction kinetics to focus on newly formulated catalysts, improved process conditions and enhanced catalyst activation methods. Currently the facility has the capability of performing three simultaneous reactor screening tests, along with a fourth fixed-bed reactor used solely for cobalt catalyst activation.

AFOSR/ONR Contractors Meeting - Combustion, Rocket Propulsion, Diagnostics of Reacting Flow

DTIC Science & Technology

1990-06-15

GASIFICATION KINETICS OF SOLID BORON AND PYROLITIC GRAPHrrE Because of the energetic potential of boron as a solid fuel (or fuel additive) and the likely...87 Kinetic Studies of Metal Combustion in Propulsion, A. Fontijn, P. M. Futerko and A. G. Slavejkov .............................. 90...Measurements and Chemical Kinetic Simulation of the Structure of Model Propellant Flames, M. C. Branch and H. Dindi .......... 94 High-Rate Thermal

Fuels planning: science synthesis and integration; environmental consequences fact sheet 12: Water Erosion Prediction Project (WEPP) Fuel Management (FuMe) tool

Treesearch

William Elliot; David Hall

2005-01-01

The Water Erosion Prediction Project (WEPP) Fuel Management (FuMe) tool was developed to estimate sediment generated by fuel management activities. WEPP FuMe estimates sediment generated for 12 fuel-related conditions from a single input. This fact sheet identifies the intended users and uses, required inputs, what the model does, and tells the user how to obtain the...

Yield degradation in inertial-confinement-fusion implosions due to shock-driven kinetic fuel-species stratification and viscous heating

DOE PAGES

Taitano, William T.; Simakov, Andrei N.; Chacon, Luis; ...

2018-04-09

Anomalous thermonuclear yield degradation (i.e., that not describable by single-fluid radiation hydrodynamics) in Inertial Confinement Fusion (ICF) implosions is ubiquitously observed in both Omega and National Ignition experiments. Multiple experimental and theoretical studies have been carried out to investigate the origin of such a degradation. Relative concentration changes of fuel-ion species, as well as kinetically enhanced viscous heating, have been among possible explanations proposed for certain classes of ICF experiments. In this study, we investigate the role of such kinetic plasma effects in detail. To this end, we use the iFP code to perform multi-species ion Vlasov-Fokker-Planck simulations of ICFmore » capsule implosions with the fuel comprising various hydrodynamically equivalent mixtures of deuterium (D) and helium-3 (3He), as in the original. We employ the same computational setup as in O. Larroche, which was the first to simulate the experiments kinetically. However, unlike the Larroche study, and in partial agreement with experimental data, we find a systematic yield degradation in multi-species simulations versus averaged-ion simulations when the D-fuel fraction is decreased. This yield degradation originates in the fuel-ion species stratification induced by plasma shocks, which imprints the imploding system and results in the relocation of the D ions from the core of the capsule to its periphery, thereby reducing the yield relative to a non-separable averaged-ion case. By comparing yields from the averaged-ion kinetic simulations and from the hydrodynamic scaling, we also observe yield variations associated with ion kinetic effects other than fuel-ion stratification, such as ion viscous heating, which is typically neglected in hydrodynamic implosions' simulations. Since our kinetic simulations are driven by hydrodynamic boundary conditions at the fuel-ablator interface, they cannot capture the effects of ion viscosity on the capsule compression, or effects associated with the interface, which are expected to be important. As a result, studies of such effects are left for future work.« less

Yield degradation in inertial-confinement-fusion implosions due to shock-driven kinetic fuel-species stratification and viscous heating

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

Taitano, William T.; Simakov, Andrei N.; Chacon, Luis

Anomalous thermonuclear yield degradation (i.e., that not describable by single-fluid radiation hydrodynamics) in Inertial Confinement Fusion (ICF) implosions is ubiquitously observed in both Omega and National Ignition experiments. Multiple experimental and theoretical studies have been carried out to investigate the origin of such a degradation. Relative concentration changes of fuel-ion species, as well as kinetically enhanced viscous heating, have been among possible explanations proposed for certain classes of ICF experiments. In this study, we investigate the role of such kinetic plasma effects in detail. To this end, we use the iFP code to perform multi-species ion Vlasov-Fokker-Planck simulations of ICFmore » capsule implosions with the fuel comprising various hydrodynamically equivalent mixtures of deuterium (D) and helium-3 (3He), as in the original. We employ the same computational setup as in O. Larroche, which was the first to simulate the experiments kinetically. However, unlike the Larroche study, and in partial agreement with experimental data, we find a systematic yield degradation in multi-species simulations versus averaged-ion simulations when the D-fuel fraction is decreased. This yield degradation originates in the fuel-ion species stratification induced by plasma shocks, which imprints the imploding system and results in the relocation of the D ions from the core of the capsule to its periphery, thereby reducing the yield relative to a non-separable averaged-ion case. By comparing yields from the averaged-ion kinetic simulations and from the hydrodynamic scaling, we also observe yield variations associated with ion kinetic effects other than fuel-ion stratification, such as ion viscous heating, which is typically neglected in hydrodynamic implosions' simulations. Since our kinetic simulations are driven by hydrodynamic boundary conditions at the fuel-ablator interface, they cannot capture the effects of ion viscosity on the capsule compression, or effects associated with the interface, which are expected to be important. As a result, studies of such effects are left for future work.« less

Yield degradation in inertial-confinement-fusion implosions due to shock-driven kinetic fuel-species stratification and viscous heating

NASA Astrophysics Data System (ADS)

Taitano, W. T.; Simakov, A. N.; Chacón, L.; Keenan, B.

2018-05-01

Anomalous thermonuclear yield degradation (i.e., that not describable by single-fluid radiation hydrodynamics) in Inertial Confinement Fusion (ICF) implosions is ubiquitously observed in both Omega and National Ignition experiments. Multiple experimental and theoretical studies have been carried out to investigate the origin of such a degradation. Relative concentration changes of fuel-ion species, as well as kinetically enhanced viscous heating, have been among possible explanations proposed for certain classes of ICF experiments. In this study, we investigate the role of such kinetic plasma effects in detail. To this end, we use the iFP code to perform multi-species ion Vlasov-Fokker-Planck simulations of ICF capsule implosions with the fuel comprising various hydrodynamically equivalent mixtures of deuterium (D) and helium-3 (3He), as in the original Rygg experiments [J. R. Rygg et al., Phys. Plasmas 13, 052702 (2006)]. We employ the same computational setup as in O. Larroche [Phys. Plasmas 19, 122706 (2012)], which was the first to simulate the experiments kinetically. However, unlike the Larroche study, and in partial agreement with experimental data, we find a systematic yield degradation in multi-species simulations versus averaged-ion simulations when the D-fuel fraction is decreased. This yield degradation originates in the fuel-ion species stratification induced by plasma shocks, which imprints the imploding system and results in the relocation of the D ions from the core of the capsule to its periphery, thereby reducing the yield relative to a non-separable averaged-ion case. By comparing yields from the averaged-ion kinetic simulations and from the hydrodynamic scaling, we also observe yield variations associated with ion kinetic effects other than fuel-ion stratification, such as ion viscous heating, which is typically neglected in hydrodynamic implosions' simulations. Since our kinetic simulations are driven by hydrodynamic boundary conditions at the fuel-ablator interface, they cannot capture the effects of ion viscosity on the capsule compression, or effects associated with the interface, which are expected to be important. Studies of such effects are left for future work.

40 CFR 63.7530 - How do I demonstrate initial compliance with the emission limits and work practice standards?

Code of Federal Regulations, 2010 CFR

2010-07-01

...) of this section. (i) You must determine the fuel type or fuel mixture that you could burn in your... for HCl, you must determine the fraction of the total heat input for each fuel type burned (Qi) based... of each fuel type burned (Ci). (iii) You must establish a maximum chlorine input level using Equation...

Investigation of Iso-octane Ignition and Validation of a Multizone Modeling Method in an Ignition Quality Tester

DOE PAGES

Osecky, Eric M.; Bogin, Gregory E.; Villano, Stephanie M.; ...

2016-08-18

An ignition quality tester was used to characterize the autoignition delay times of iso-octane. The experimental data were characterized between temperatures of 653 and 996 K, pressures of 1.0 and 1.5 MPa, and global equivalence ratios of 0.7 and 1.05. A clear negative temperature coefficient behavior was seen at both pressures in the experimental data. These data were used to characterize the effectiveness of three modeling methods: a single-zone homogeneous batch reactor, a multizone engine model, and a three-dimensional computational fluid dynamics (CFD) model. A detailed 874 species iso-octane ignition mechanism (Mehl, M.; Curran, H. J.; Pitz, W. J.; Westbrook,more » C. K.Chemical kinetic modeling of component mixtures relevant to gasoline. Proceedings of the European Combustion Meeting; Vienna, Austria, April 14-17, 2009) was reduced to 89 species for use in these models, and the predictions of the reduced mechanism were consistent with ignition delay times predicted by the detailed chemical mechanism across a broad range of temperatures, pressures, and equivalence ratios. The CFD model was also run without chemistry to characterize the extent of mixing of fuel and air in the chamber. The calculations predicted that the main part of the combustion chamber was fairly well-mixed at longer times (> ~30 ms), suggesting that the simpler models might be applicable in this quasi-homogeneous region. The multizone predictions, where the combustion chamber was divided into 20 zones of temperature and equivalence ratio, were quite close to the coupled CFD-kinetics results, but the calculation time was ~11 times faster than the coupled CFD-kinetics model. Although the coupled CFD-kinetics model captured the observed negative temperature coefficient behavior and pressure dependence, discrepancies remain between the predictions and the observed ignition time delays, suggesting improvements are still needed in the kinetic mechanism and/or the CFD model. This approach suggests a combined modeling approach, wherein the CFD calculations (without chemistry) can be used to examine the sensitivity of various model inputs to in-cylinder temperature and equivalence ratios. In conclusion, these values can be used as inputs to the multizone model to examine the impact on ignition delay. Additionally, the speed of the multizone model also makes it feasible to quickly test more detailed kinetic mechanisms for comparison to experimental data and sensitivity analysis.« less

Investigation of Iso-octane Ignition and Validation of a Multizone Modeling Method in an Ignition Quality Tester

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

Osecky, Eric M.; Bogin, Gregory E.; Villano, Stephanie M.

An ignition quality tester was used to characterize the autoignition delay times of iso-octane. The experimental data were characterized between temperatures of 653 and 996 K, pressures of 1.0 and 1.5 MPa, and global equivalence ratios of 0.7 and 1.05. A clear negative temperature coefficient behavior was seen at both pressures in the experimental data. These data were used to characterize the effectiveness of three modeling methods: a single-zone homogeneous batch reactor, a multizone engine model, and a three-dimensional computational fluid dynamics (CFD) model. A detailed 874 species iso-octane ignition mechanism (Mehl, M.; Curran, H. J.; Pitz, W. J.; Westbrook,more » C. K.Chemical kinetic modeling of component mixtures relevant to gasoline. Proceedings of the European Combustion Meeting; Vienna, Austria, April 14-17, 2009) was reduced to 89 species for use in these models, and the predictions of the reduced mechanism were consistent with ignition delay times predicted by the detailed chemical mechanism across a broad range of temperatures, pressures, and equivalence ratios. The CFD model was also run without chemistry to characterize the extent of mixing of fuel and air in the chamber. The calculations predicted that the main part of the combustion chamber was fairly well-mixed at longer times (> ~30 ms), suggesting that the simpler models might be applicable in this quasi-homogeneous region. The multizone predictions, where the combustion chamber was divided into 20 zones of temperature and equivalence ratio, were quite close to the coupled CFD-kinetics results, but the calculation time was ~11 times faster than the coupled CFD-kinetics model. Although the coupled CFD-kinetics model captured the observed negative temperature coefficient behavior and pressure dependence, discrepancies remain between the predictions and the observed ignition time delays, suggesting improvements are still needed in the kinetic mechanism and/or the CFD model. This approach suggests a combined modeling approach, wherein the CFD calculations (without chemistry) can be used to examine the sensitivity of various model inputs to in-cylinder temperature and equivalence ratios. In conclusion, these values can be used as inputs to the multizone model to examine the impact on ignition delay. Additionally, the speed of the multizone model also makes it feasible to quickly test more detailed kinetic mechanisms for comparison to experimental data and sensitivity analysis.« less

LCRE and SNAP 50-DR-1 programs. Engineering and progress report, April 1, 1963--June 30, 1963

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

None

BS>Declassified 6 Sep 1973. Information is presented concerning the LCRE kinetics, auxiliary systems, fuel, primary cooling system components, instrumentation, secondary cooling system, materials development, and fabrication; and SNAP-50/SPUR kinetics, fuel, primary system pump, steam generator, and materials development. (DCC)

Compositional effects on the ignition of FACE gasolines [Compositional effects on the ignition of FACE gasoline fuels: experiments, surrogate fuel formulation, and chemical kinetic modeling

DOE PAGES

Sarathy, S. Mani; Kukkadapu, Goutham; Mehl, Marco; ...

2016-05-08

As regulatory measures for improved fuel economy and decreased emissions are pushing gasoline engine combustion technologies towards extreme conditions (i.e., boosted and intercooled intake with exhaust gas recirculation), fuel ignition characteristics become increasingly important for enabling stable operation. Here, this study explores the effects of chemical composition on the fundamental ignition behavior of gasoline fuels. Two well-characterized, high-octane, non-oxygenated FACE (Fuels for Advanced Combustion Engines) gasolines, FACE F and FACE G, having similar antiknock indices but different octane sensitivities and chemical compositions are studied. Ignition experiments were conducted in shock tubes and a rapid compression machine (RCM) at nominal pressuresmore » of 20 and 40 atm, equivalence ratios of 0.5 and 1.0, and temperatures ranging from 650 to 1270 K. Results at temperatures above 900 K indicate that ignition delay time is similar for these fuels. However, RCM measurements below 900 K demonstrate a stronger negative temperature coefficient behavior for FACE F gasoline having lower octane sensitivity. In addition, RCM pressure profiles under two-stage ignition conditions illustrate that the magnitude of low-temperature heat release (LTHR) increases with decreasing fuel octane sensitivity. However, intermediate-temperature heat release is shown to increase as fuel octane sensitivity increases. Various surrogate fuel mixtures were formulated to conduct chemical kinetic modeling, and complex multicomponent surrogate mixtures were shown to reproduce experimentally observed trends better than simpler two- and three-component mixtures composed of n-heptane, iso-octane, and toluene. Measurements in a Cooperative Fuels Research (CFR) engine demonstrated that the multicomponent surrogates accurately captured the antiknock quality of the FACE gasolines. Simulations were performed using multicomponent surrogates for FACE F and G to reveal the underlying chemical kinetics linking fuel composition with ignition characteristics. Finally, a key discovery of this work is the kinetic coupling between aromatics and naphthenes, which affects the radical pool population and thereby controls ignition.« less

Compositional effects on the ignition of FACE gasolines [Compositional effects on the ignition of FACE gasoline fuels: experiments, surrogate fuel formulation, and chemical kinetic modeling

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

Sarathy, S. Mani; Kukkadapu, Goutham; Mehl, Marco

As regulatory measures for improved fuel economy and decreased emissions are pushing gasoline engine combustion technologies towards extreme conditions (i.e., boosted and intercooled intake with exhaust gas recirculation), fuel ignition characteristics become increasingly important for enabling stable operation. Here, this study explores the effects of chemical composition on the fundamental ignition behavior of gasoline fuels. Two well-characterized, high-octane, non-oxygenated FACE (Fuels for Advanced Combustion Engines) gasolines, FACE F and FACE G, having similar antiknock indices but different octane sensitivities and chemical compositions are studied. Ignition experiments were conducted in shock tubes and a rapid compression machine (RCM) at nominal pressuresmore » of 20 and 40 atm, equivalence ratios of 0.5 and 1.0, and temperatures ranging from 650 to 1270 K. Results at temperatures above 900 K indicate that ignition delay time is similar for these fuels. However, RCM measurements below 900 K demonstrate a stronger negative temperature coefficient behavior for FACE F gasoline having lower octane sensitivity. In addition, RCM pressure profiles under two-stage ignition conditions illustrate that the magnitude of low-temperature heat release (LTHR) increases with decreasing fuel octane sensitivity. However, intermediate-temperature heat release is shown to increase as fuel octane sensitivity increases. Various surrogate fuel mixtures were formulated to conduct chemical kinetic modeling, and complex multicomponent surrogate mixtures were shown to reproduce experimentally observed trends better than simpler two- and three-component mixtures composed of n-heptane, iso-octane, and toluene. Measurements in a Cooperative Fuels Research (CFR) engine demonstrated that the multicomponent surrogates accurately captured the antiknock quality of the FACE gasolines. Simulations were performed using multicomponent surrogates for FACE F and G to reveal the underlying chemical kinetics linking fuel composition with ignition characteristics. Finally, a key discovery of this work is the kinetic coupling between aromatics and naphthenes, which affects the radical pool population and thereby controls ignition.« less

40 CFR Table 12 to Subpart Ddddd... - Alternative Emission Limits for New or Reconstructed Boilers and Process Heaters That Commenced...

Code of Federal Regulations, 2014 CFR

2014-07-01

.../solid fossil fuels on an annual heat input basis a. Particulate Matter 0.008 lb per MMBtu of heat input... all subcategories designed to burn solid fuel that combust at least 10 percent coal/solid fossil fuels.../solid fossil fuel a. CO 90 ppm by volume on a dry basis corrected to 3 percent oxygen 1 hr minimum...

40 CFR Table 12 to Subpart Ddddd... - Alternative Emission Limits for New or Reconstructed Boilers and Process Heaters That Commenced...

Code of Federal Regulations, 2013 CFR

2013-07-01

.../solid fossil fuels on an annual heat input basis a. Particulate Matter 0.008 lb per MMBtu of heat input... all subcategories designed to burn solid fuel that combust at least 10 percent coal/solid fossil fuels.../solid fossil fuel a. CO 90 ppm by volume on a dry basis corrected to 3 percent oxygen 1 hr minimum...

Reduced detonation kinetics and detonation structure in one- and multi-fuel gaseous mixtures

NASA Astrophysics Data System (ADS)

Fomin, P. A.; Trotsyuk, A. V.; Vasil'ev, A. A.

2017-10-01

Two-step approximate models of chemical kinetics of detonation combustion of (i) one-fuel (CH4/air) and (ii) multi-fuel gaseous mixtures (CH4/H2/air and CH4/CO/air) are developed for the first time. The models for multi-fuel mixtures are proposed for the first time. Owing to the simplicity and high accuracy, the models can be used in multi-dimensional numerical calculations of detonation waves in corresponding gaseous mixtures. The models are in consistent with the second law of thermodynamics and Le Chatelier’s principle. Constants of the models have a clear physical meaning. Advantages of the kinetic model for detonation combustion of methane has been demonstrated via numerical calculations of a two-dimensional structure of the detonation wave in a stoichiometric and fuel-rich methane-air mixtures and stoichiometric methane-oxygen mixture. The dominant size of the detonation cell, determines in calculations, is in good agreement with all known experimental data.

Nitrous oxide emissions control by reburning

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

Rutar, T.; Kramlich, J.C.; Malte, P.C.

1996-12-01

Fluidized bed coal combustors emit much higher concentrations of nitrous oxide (N{sub 2}O) than do most other combustion systems. This is of concern because N{sub 2}O is highly stable in the atmosphere, and may contribute to both the greenhouse effect and to stratospheric ozone depletion. In this article laboratory results are presented on N{sub 2}O removal by the reburning (i.e., afterburning) method. The destruction of N{sub 2}O is observed during contact between hot flue gases containing N{sub 2}O and various reburning fuels. A laboratory combustion reactor is used to sequentially generate the hot combustion gas, and to put this gasmore » in contact with N{sub 2}O and reburning fuel under well-characterized conditions. The initial N{sub 2}O in the primary combustion products is between 200 and 350 ppmv (dry). The temperature of the primary combustion products is varied between 1,080 and 1,370 K, and the oxygen level of these gases is varied between 3.3 and 4.8% (dry). Five reburning fuels are tested. The rank order of reburning effectiveness (based on equal heat input by the reburning fuels) is H{sub 2} > CH{sub 4} > C{sub 2}H{sub 4} and C{sub 2}H{sub 6} > CO. Experiments are also performed with the primary combustor operated fuel rich. Without any reburning fuel added, removal of large amounts of N{sub 2}O are obtained when the fuel-air equivalence ratio of the primary combustion is about 1.1. The experimental results are presented, discussed, and compared to chemical kinetic modeling. Also, some discussions of the practical implications is presented.« less

Self-consistent nonlocal feedback theory for electrocatalytic swimmers with heterogeneous surface chemical kinetics

NASA Astrophysics Data System (ADS)

Nourhani, Amir; Crespi, Vincent H.; Lammert, Paul E.

2015-06-01

We present a self-consistent nonlocal feedback theory for the phoretic propulsion mechanisms of electrocatalytic micromotors or nanomotors. These swimmers, such as bimetallic platinum and gold rods catalyzing decomposition of hydrogen peroxide in aqueous solution, have received considerable theoretical attention. In contrast, the heterogeneous electrochemical processes with nonlocal feedback that are the actual "engines" of such motors are relatively neglected. We present a flexible approach to these processes using bias potential as a control parameter field and a locally-open-circuit reference state, carried through in detail for a spherical motor. While the phenomenological flavor makes meaningful contact with experiment easier, required inputs can also conceivably come from, e.g., Frumkin-Butler-Volmer kinetics. Previously obtained results are recovered in the weak-heterogeneity limit and improved small-basis approximations tailored to structural heterogeneity are presented. Under the assumption of weak inhomogeneity, a scaling form is deduced for motor speed as a function of fuel concentration and swimmer size. We argue that this form should be robust and demonstrate a good fit to experimental data.

40 CFR 60.42c - Standard for sulfur dioxide (SO2).

Code of Federal Regulations, 2010 CFR

2010-07-01

....2 lb/MMBtu) heat input. If coal is combusted with other fuels, the affected facility shall neither... excess of 520 ng/J (1.2 lb/MMBtu) heat input. If coal is fired with coal refuse, the affected facility.../MMBtu) heat input. If coal is combusted with other fuels, the affected facility is subject to the 50...

Effect of grain morphology on gas bubble swelling in UMo fuels – A 3D microstructure dependent Booth model

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

Hu, Shenyang; Burkes, Douglas; Lavender, Curt A.

2016-11-01

A three dimensional microstructure dependent swelling model is developed for studying the fission gas swelling kinetics in irradiated nuclear fuels. The model is extended from the Booth model [1] in order to investigate the effect of heterogeneous microstructures on gas bubble swelling kinetics. As an application of the model, the effect of grain morphology, fission gas diffusivity, and spatial dependent fission rate on swelling kinetics are simulated in UMo fuels. It is found that the decrease of grain size, the increase of grain aspect ratio for the grain having the same volume, and the increase of fission gas diffusivity (fissionmore » rate) cause the increase of swelling kinetics. Other heterogeneities such as second phases and spatial dependent thermodynamic properties including diffusivity of fission gas, sink and source strength of defects could be naturally integrated into the model to enhance the model capability.« less

Computer-Aided Construction of Chemical Kinetic Models

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

Green, William H.

2014-12-31

The combustion chemistry of even simple fuels can be extremely complex, involving hundreds or thousands of kinetically significant species. The most reasonable way to deal with this complexity is to use a computer not only to numerically solve the kinetic model, but also to construct the kinetic model in the first place. Because these large models contain so many numerical parameters (e.g. rate coefficients, thermochemistry) one never has sufficient data to uniquely determine them all experimentally. Instead one must work in “predictive” mode, using theoretical rather than experimental values for many of the numbers in the model, and as appropriatemore » refining the most sensitive numbers through experiments. Predictive chemical kinetics is exactly what is needed for computer-aided design of combustion systems based on proposed alternative fuels, particularly for early assessment of the value and viability of proposed new fuels before those fuels are commercially available. This project was aimed at making accurate predictive chemical kinetics practical; this is a challenging goal which requires a range of science advances. The project spanned a wide range from quantum chemical calculations on individual molecules and elementary-step reactions, through the development of improved rate/thermo calculation procedures, the creation of algorithms and software for constructing and solving kinetic simulations, the invention of methods for model-reduction while maintaining error control, and finally comparisons with experiment. Many of the parameters in the models were derived from quantum chemistry calculations, and the models were compared with experimental data measured in our lab or in collaboration with others.« less

Role of Engine and Driveline Lubricants in Fuel Efficiency - Summary Report

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

Bansal, Jai G.; Fenske, George; Adkins, Mark

A virtual workshop was held on May 10, 2017, to obtain input from stakeholders on the role that lubricants can contribute to improving the fuel economy of on-road vehicles – with a focus on legacy vehicles. A ThinkTank collaboration tool was used to facilitate collection and real-time analysis of input provided by the participants. Input was in the form of numeric responses on the amount of fuel economy gains that the respondents felt are possible for light duty (LD) and heavy duty (HD) vehicles, the sources of the gains, and the barriers that will need to be addressed to achievemore » the fuel economy (FE) gains.« less

Simulation on reactor TRIGA Puspati core kinetics fueled with thorium (Th) based fuel element

NASA Astrophysics Data System (ADS)

Mohammed, Abdul Aziz; Pauzi, Anas Muhamad; Rahman, Shaik Mohmmed Haikhal Abdul; Zin, Muhamad Rawi Muhammad; Jamro, Rafhayudi; Idris, Faridah Mohamad

2016-01-01

In confronting global energy requirement and the search for better technologies, there is a real case for widening the range of potential variations in the design of nuclear power plants. Smaller and simpler reactors are attractive, provided they can meet safety and security standards and non-proliferation issues. On fuel cycle aspect, thorium fuel cycles produce much less plutonium and other radioactive transuranic elements than uranium fuel cycles. Although not fissile itself, Th-232 will absorb slow neutrons to produce uranium-233 (233U), which is fissile. By introducing Thorium, the numbers of highly enriched uranium fuel element can be reduced while maintaining the core neutronic performance. This paper describes the core kinetic of a small research reactor core like TRIGA fueled with a Th filled fuel element matrix using a general purpose Monte Carlo N-Particle (MCNP) code.

Simulation on reactor TRIGA Puspati core kinetics fueled with thorium (Th) based fuel element

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

Mohammed, Abdul Aziz, E-mail: azizM@uniten.edu.my; Rahman, Shaik Mohmmed Haikhal Abdul; Pauzi, Anas Muhamad, E-mail: anas@uniten.edu.my

2016-01-22

In confronting global energy requirement and the search for better technologies, there is a real case for widening the range of potential variations in the design of nuclear power plants. Smaller and simpler reactors are attractive, provided they can meet safety and security standards and non-proliferation issues. On fuel cycle aspect, thorium fuel cycles produce much less plutonium and other radioactive transuranic elements than uranium fuel cycles. Although not fissile itself, Th-232 will absorb slow neutrons to produce uranium-233 ({sup 233}U), which is fissile. By introducing Thorium, the numbers of highly enriched uranium fuel element can be reduced while maintainingmore » the core neutronic performance. This paper describes the core kinetic of a small research reactor core like TRIGA fueled with a Th filled fuel element matrix using a general purpose Monte Carlo N-Particle (MCNP) code.« less

Flame ignition studies of conventional and alternative jet fuels and surrogate components

NASA Astrophysics Data System (ADS)

Liu, Ning

Practical jet fuels are widely used in air-breathing propulsion, but the chemical mechanisms that control their combustion are not yet understood. Thousands of components are contained in conventional and alternative jet fuels, making thus any effort to model their combustion behavior a daunting task. That has been the motivation behind the development of surrogate fuels that contain typically a small number of neat components, whose physical properties and combustion behavior mimic those of the real jet fuel, and whose kinetics could be modeled with increased degree of confidence. Towards that end, a large number of experimental data are required both for the real fuels and the attendant surrogate components that could be used to develop and validate detailed kinetic models. Those kinetic models could be used then upon reduction to model a combustor and eventually optimize its performance. Among all flame phenomena, ignition is rather sensitive to the oxidative and pyrolytic propensity of the fuel as well as to its diffusivity. The counterflow configuration is ideal in probing both the fuel reactivity and diffusivity aspects of the ignition process and it was used in the present work to determine the ignition temperatures of premixed and non-premixed flames of a variety of fuels relevant to air-breathing propulsion. The experiments were performed at atmospheric pressure, elevated unburned fuel mixture temperatures, and various strain rates that were measured locally. Several recent kinetic models were used in direct numerical simulations of the experiments and the computed results were tested against the experimental data. Furthermore, through sensitivity, reaction path, and structure analyses of the computed flames, insight was provided into the dominant mechanisms that control ignition. It was found that ignition is primarily sensitive to fuel diffusion and secondarily sensitive to chemical kinetics and intermediate species diffusivities under the low fuel concentrations. As for the detailed high temperature oxidation chemistry, ignition of normal, branched, and cyclic alkane flames were found to be sensitive largely to H2/CO and C1-C4 small hydrocarbon chemistry, while for branched alkanes fuel-related reactions do have accountable effect on ignition due to the low rate of initial fuel decomposition that limits the overall reactions preceding ignition. Analyses of the computed flame structures revealed that the concentrations of ignition-promoting radicals such as H, HCO, C2H3, and OH, and ignition-inhibiting radicals such as C3H6, aC3H5, and CH3 are key to the occurrence of ignition. Finally, the ignition characteristics of conventional and alternative jet fuels were studied and were to correlate with the chemical classifications and diffusivities of the neat species that are present in the practical fuel.

40 CFR 60.43b - Standard for particulate matter (PM).

Code of Federal Regulations, 2010 CFR

2010-07-01

...) heat input, (i) If the affected facility combusts only coal, or (ii) If the affected facility combusts.... (2) 43 ng/J (0.10 lb/MMBtu) heat input if the affected facility combusts coal and other fuels and has... greater than 10 percent (0.10) for fuels other than coal. (3) 86 ng/J (0.20 lb/MMBtu) heat input if the...

40 CFR 60.44c - Compliance and performance test methods and procedures for sulfur dioxide.

Code of Federal Regulations, 2010 CFR

2010-07-01

... = Fraction of the total heat input from fuel combustion derived from coal and oil, as determined by... total heat input from fuel combustion derived from coal and oil, as determined by applicable procedures... generating unit load during the 30-day period does not have to be the maximum design heat input capacity, but...

Preliminary Design Study of Medium Sized Gas Cooled Fast Reactor with Natural Uranium as Fuel Cycle Input

NASA Astrophysics Data System (ADS)

Meriyanti, Su'ud, Zaki; Rijal, K.; Zuhair, Ferhat, A.; Sekimoto, H.

2010-06-01

In this study a fesibility design study of medium sized (1000 MWt) gas cooled fast reactors which can utilize natural uranium as fuel cycle input has been conducted. Gas Cooled Fast Reactor (GFR) is among six types of Generation IV Nuclear Power Plants. GFR with its hard neuron spectrum is superior for closed fuel cycle, and its ability to be operated in high temperature (850° C) makes various options of utilizations become possible. To obtain the capability of consuming natural uranium as fuel cycle input, modified CANDLE burn-up scheme[1-6] is adopted this GFR system by dividing the core into 10 parts of equal volume axially. Due to the limitation of thermal hydraulic aspects, the average power density of the proposed design is selected about 70 W/cc. As an optimization results, a design of 1000 MWt reactors which can be operated 10 years without refueling and fuel shuffling and just need natural uranium as fuel cycle input is discussed. The average discharge burn-up is about 280 GWd/ton HM. Enough margin for criticallity was obtained for this reactor.

Non-Kinetic Losses Caused by Electrochemical Carbon Corrosion in PEM Fuel Cells

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

Park, Seh Kyu; Shao, Yuyan; Viswanathan, Vilayanur V.

2012-05-01

This paper presented non-kinetic losses in PEM fuel cells under an accelerated stress test of catalyst support. The cathode with carbon-supported Pt catalyst was prepared and characterized with potential hold at 1.2 V vs. SHE in PEM fuel cells. Irreversible losses caused by carbon corrosion were evaluated using a variety of electrochemical characterizations including cyclic voltammetry, linear sweep voltammetry, electrochemical impedance spectroscopy, and polarization technique. Ohmic losses at the cathode with potential hold were determined using its capacitive responses. Concentration losses in PEM fuel cells were analyzed in terms of Tafel behavior and thin film/flooded-agglomerate dynamics.

Systematic technology evaluation program for SiC/SiC composite-based accident-tolerant LWR fuel cladding and core structures: Revision 2015

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

Katoh, Yutai; Terrani, Kurt A.

2015-08-01

Fuels and core structures in current light water reactors (LWR’s) are vulnerable to catastrophic failure in severe accidents as unfortunately evidenced by the March 2011 Fukushima Dai-ichi Nuclear Power Plant Accident. This vulnerability is attributed primarily to the rapid oxidation kinetics of zirconium alloys in a water vapor environment at very high temperatures. Zr alloys are the primary material in LWR cores except for the fuel itself. Therefore, alternative materials with reduced oxidation kinetics as compared to zirconium alloys are sought to enable enhanced accident-tolerant fuels and cores.

Robert McCormick | NREL

Science.gov Websites

and combustion kinetics, fuel effects on engine efficiency, and the impact of new fuels on air , and fuel effects on pollutant emissions Education Ph.D., Chemical Engineering, University of Wyoming

Thermophysics Characterization of Kerosene Combustion

NASA Technical Reports Server (NTRS)

Wang, Ten-See

2000-01-01

A one-formula surrogate fuel formulation and its quasi-global combustion kinetics model are developed to support the design of injectors and thrust chambers of kerosene-fueled rocket engines. This surrogate fuel model depicts a fuel blend that properly represents the general physical and chemical properties of kerosene. The accompanying gaseous-phase thermodynamics of the surrogate fuel is anchored with the heat of formation of kerosene and verified by comparing a series of one-dimensional rocket thrust chamber calculations. The quasi-global combustion kinetics model consists of several global steps for parent fuel decomposition, soot formation, and soot oxidation, and a detailed wet-CO mechanism. The final thermophysics formulations are incorporated with a computational fluid dynamics model for prediction of the combustor efficiency of an uni-element, tri-propellant combustor and the radiation of a kerosene-fueled thruster plume. The model predictions agreed reasonably well with those of the tests.

Thermophysics Characterization of Kerosene Combustion

NASA Technical Reports Server (NTRS)

Wang, Ten-See

2001-01-01

A one-formula surrogate fuel formulation and its quasi-global combustion kinetics model are developed to support the design of injectors and thrust chambers of kerosene-fueled rocket engines. This surrogate fuel model depicts a fuel blend that properly represents the general physical and chemical properties of kerosene. The accompanying gaseous-phase thermodynamics of the surrogate fuel is anchored with the heat of formation of kerosene and verified by comparing a series of one-dimensional rocket thrust chamber calculations. The quasi-global combustion kinetics model consists of several global steps for parent fuel decomposition, soot formation, and soot oxidation and a detailed wet-CO mechanism to complete the combustion process. The final thermophysics formulations are incorporated with a computational fluid dynamics model for prediction of the combustion efficiency of an unielement, tripropellant combustor and the radiation of a kerosene-fueled thruster plume. The model predictions agreed reasonably well with those of the tests.

40 CFR Table 5 to Subpart Uuu of... - Initial Compliance With Metal HAP Emission Limits for Catalytic Cracking Units

Code of Federal Regulations, 2011 CFR

2011-07-01

... waste heat boiler in which you burn auxiliary or supplemental liquid or solid fossil fuel, the... thermal units (lb/million Btu) of heat input attributable to the liquid or solid fossil fuel; and the.../million Btu) of heat input attributable to the liquid or solid fossil fuel. As part of the Notification of...

40 CFR Table 5 to Subpart Uuu of... - Initial Compliance With Metal HAP Emission Limits for Catalytic Cracking Units

Code of Federal Regulations, 2010 CFR

2010-07-01

... waste heat boiler in which you burn auxiliary or supplemental liquid or solid fossil fuel, the... thermal units (lb/million Btu) of heat input attributable to the liquid or solid fossil fuel; and the.../million Btu) of heat input attributable to the liquid or solid fossil fuel. As part of the Notification of...

Mechanisms and kinetics of granulated sewage sludge combustion.

PubMed

Kijo-Kleczkowska, Agnieszka; Środa, Katarzyna; Kosowska-Golachowska, Monika; Musiał, Tomasz; Wolski, Krzysztof

2015-12-01

This paper investigates sewage sludge disposal methods with particular emphasis on combustion as the priority disposal method. Sewage sludge incineration is an attractive option because it minimizes odour, significantly reduces the volume of the starting material and thermally destroys organic and toxic components of the off pads. Additionally, it is possible that ashes could be used. Currently, as many as 11 plants use sewage sludge as fuel in Poland; thus, this technology must be further developed in Poland while considering the benefits of co-combustion with other fuels. This paper presents the results of experimental studies aimed at determining the mechanisms (defining the fuel combustion region by studying the effects of process parameters, including the size of the fuel sample, temperature in the combustion chamber and air velocity, on combustion) and kinetics (measurement of fuel temperature and mass changes) of fuel combustion in an air stream under different thermal conditions and flow rates. The combustion of the sludge samples during air flow between temperatures of 800 and 900°C is a kinetic-diffusion process. This process determines the sample size, temperature of its environment, and air velocity. The adopted process parameters, the time and ignition temperature of the fuel by volatiles, combustion time of the volatiles, time to reach the maximum temperature of the fuel surface, maximum temperature of the fuel surface, char combustion time, and the total process time, had significant impacts. Copyright © 2015 Elsevier Ltd. All rights reserved.

Experimental and computational study of methane counterflow diffusion flames perturbed by trace amounts of either jet fuel or a 6-component surrogate under non-sooting conditions

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

Bufferand, H.; Tosatto, L.; La Mantia, B.

2009-08-15

The chemical structure of a methane counterflow diffusion flame and of the same flame doped with 1000 ppm (molar) of either jet fuel or a 6-component jet fuel surrogate was analyzed experimentally, by gas sampling via quartz microprobes and subsequent GC/MS analysis, and computationally using a semi-detailed kinetic mechanism for the surrogate blend. Conditions were chosen to ensure that all three flames were non-sooting, with identical temperature profiles and stoichiometric mixture fraction, through a judicious selection of feed stream composition and strain rate. The experimental dataset provides a glimpse of the pyrolysis and oxidation behavior of jet fuel in amore » diffusion flame. The jet fuel initial oxidation is consistent with anticipated chemical kinetic behavior, based on thermal decomposition of large alkanes to smaller and smaller fragments and the survival of ring-stabilized aromatics at higher temperatures. The 6-component surrogate captures the same trend correctly, but the agreement is not quantitative with respect to some of the aromatics such as benzene and toluene. Various alkanes, alkenes and aromatics among the jet fuel components are either only qualitatively characterized or could not be identified, because of the presence of many isomers and overlapping spectra in the chromatogram, leaving 80% of the carbon from the jet fuel unaccounted for in the early pyrolysis history of the parent fuel. Computationally, the one-dimensional code adopted a semi-detailed kinetic mechanism for the surrogate blend that is based on an existing hierarchically constructed kinetic model for alkanes and simple aromatics, extended to account for the presence of tetralin and methylcyclohexane as reference fuels. The computational results are in reasonably good agreement with the experimental ones for the surrogate behavior, with the greatest discrepancy in the concentrations of aromatics and ethylene. (author)« less

Kinetic Studies of Plasma Chemical Fuel Oxidation in Nanosecond Pulsed Discharges by Single and Two Photon Laser Induced Fluorescence

DTIC Science & Technology

2013-07-01

31st ICPIG, July 14-19, 2013, Granada , Spain Kinetic Studies of Plasma Chemical Fuel Oxidation in Nanosecond Pulsed Discharges by Single and...31st) (ICPIG) Held in Granada , Spain on 14-19 July 2013 14. ABSTRACT Single and two photon Laser Induced Fluorescence (LIF) spectroscopy is used for...Standard Form 298 (Rev. 8-98) Prescribed by ANSI Std Z39-18 31st ICPIG, July 14-19, 2013, Granada , Spain preheat the fuel-air mixture to the furnace

A new code for predicting the thermo-mechanical and irradiation behavior of metallic fuels in sodium fast reactors

NASA Astrophysics Data System (ADS)

Karahan, Aydın; Buongiorno, Jacopo

2010-01-01

An engineering code to predict the irradiation behavior of U-Zr and U-Pu-Zr metallic alloy fuel pins and UO2-PuO2 mixed oxide fuel pins in sodium-cooled fast reactors was developed. The code was named Fuel Engineering and Structural analysis Tool (FEAST). FEAST has several modules working in coupled form with an explicit numerical algorithm. These modules describe fission gas release and fuel swelling, fuel chemistry and restructuring, temperature distribution, fuel-clad chemical interaction, and fuel and clad mechanical analysis including transient creep-fracture for the clad. Given the fuel pin geometry, composition and irradiation history, FEAST can analyze fuel and clad thermo-mechanical behavior at both steady-state and design-basis (non-disruptive) transient scenarios. FEAST was written in FORTRAN-90 and has a simple input file similar to that of the LWR fuel code FRAPCON. The metal-fuel version is called FEAST-METAL, and is described in this paper. The oxide-fuel version, FEAST-OXIDE is described in a companion paper. With respect to the old Argonne National Laboratory code LIFE-METAL and other same-generation codes, FEAST-METAL emphasizes more mechanistic, less empirical models, whenever available. Specifically, fission gas release and swelling are modeled with the GRSIS algorithm, which is based on detailed tracking of fission gas bubbles within the metal fuel. Migration of the fuel constituents is modeled by means of thermo-transport theory. Fuel-clad chemical interaction models based on precipitation kinetics were developed for steady-state operation and transients. Finally, a transient intergranular creep-fracture model for the clad, which tracks the nucleation and growth of the cavities at the grain boundaries, was developed for and implemented in the code. Reducing the empiricism in the constitutive models should make it more acceptable to extrapolate FEAST-METAL to new fuel compositions and higher burnup, as envisioned in advanced sodium reactors. FEAST-METAL was benchmarked against the open-literature EBR-II database for steady state and furnace tests (transients). The results show that the code is able to predict important phenomena such as clad strain, fission gas release, clad wastage, clad failure time, axial fuel slug deformation and fuel constituent redistribution, satisfactorily.

Development of interactive graphic user interfaces for modeling reaction-based biogeochemical processes in batch systems with BIOGEOCHEM

NASA Astrophysics Data System (ADS)

Chang, C.; Li, M.; Yeh, G.

2010-12-01

The BIOGEOCHEM numerical model (Yeh and Fang, 2002; Fang et al., 2003) was developed with FORTRAN for simulating reaction-based geochemical and biochemical processes with mixed equilibrium and kinetic reactions in batch systems. A complete suite of reactions including aqueous complexation, adsorption/desorption, ion-exchange, redox, precipitation/dissolution, acid-base reactions, and microbial mediated reactions were embodied in this unique modeling tool. Any reaction can be treated as fast/equilibrium or slow/kinetic reaction. An equilibrium reaction is modeled with an implicit finite rate governed by a mass action equilibrium equation or by a user-specified algebraic equation. A kinetic reaction is modeled with an explicit finite rate with an elementary rate, microbial mediated enzymatic kinetics, or a user-specified rate equation. None of the existing models has encompassed this wide array of scopes. To ease the input/output learning curve using the unique feature of BIOGEOCHEM, an interactive graphic user interface was developed with the Microsoft Visual Studio and .Net tools. Several user-friendly features, such as pop-up help windows, typo warning messages, and on-screen input hints, were implemented, which are robust. All input data can be real-time viewed and automated to conform with the input file format of BIOGEOCHEM. A post-processor for graphic visualizations of simulated results was also embedded for immediate demonstrations. By following data input windows step by step, errorless BIOGEOCHEM input files can be created even if users have little prior experiences in FORTRAN. With this user-friendly interface, the time effort to conduct simulations with BIOGEOCHEM can be greatly reduced.

Converting oil shale to liquid fuels: energy inputs and greenhouse gas emissions of the Shell in situ conversion process.

PubMed

Brandt, Adam R

2008-10-01

Oil shale is a sedimentary rock that contains kerogen, a fossil organic material. Kerogen can be heated to produce oil and gas (retorted). This has traditionally been a CO2-intensive process. In this paper, the Shell in situ conversion process (ICP), which is a novel method of retorting oil shale in place, is analyzed. The ICP utilizes electricity to heat the underground shale over a period of 2 years. Hydrocarbons are produced using conventional oil production techniques, leaving shale oil coke within the formation. The energy inputs and outputs from the ICP, as applied to oil shales of the Green River formation, are modeled. Using these energy inputs, the greenhouse gas (GHG) emissions from the ICP are calculated and are compared to emissions from conventional petroleum. Energy outputs (as refined liquid fuel) are 1.2-1.6 times greater than the total primary energy inputs to the process. In the absence of capturing CO2 generated from electricity produced to fuel the process, well-to-pump GHG emissions are in the range of 30.6-37.1 grams of carbon equivalent per megajoule of liquid fuel produced. These full-fuel-cycle emissions are 21%-47% larger than those from conventionally produced petroleum-based fuels.

Fuel injection staged sectoral combustor for burning low-BTU fuel gas

DOEpatents

Vogt, Robert L.

1981-01-01

A high-temperature combustor for burning low-BTU coal gas in a gas turbine is described. The combustor comprises a plurality of individual combustor chambers. Each combustor chamber has a main burning zone and a pilot burning zone. A pipe for the low-BTU coal gas is connected to the upstream end of the pilot burning zone; this pipe surrounds a liquid fuel source and is in turn surrounded by an air supply pipe; swirling means are provided between the liquid fuel source and the coal gas pipe and between the gas pipe and the air pipe. Additional preheated air is provided by counter-current coolant air in passages formed by a double wall arrangement of the walls of the main burning zone communicating with passages of a double wall arrangement of the pilot burning zone; this preheated air is turned at the upstream end of the pilot burning zone through swirlers to mix with the original gas and air input (and the liquid fuel input when used) to provide more efficient combustion. One or more fuel injection stages (second stages) are provided for direct input of coal gas into the main burning zone. The countercurrent air coolant passages are connected to swirlers surrounding the input from each second stage to provide additional oxidant.

Fuel injection staged sectoral combustor for burning low-BTU fuel gas

DOEpatents

Vogt, Robert L.

1985-02-12

A high-temperature combustor for burning low-BTU coal gas in a gas turbine is described. The combustor comprises a plurality of individual combustor chambers. Each combustor chamber has a main burning zone and a pilot burning zone. A pipe for the low-BTU coal gas is connected to the upstream end of the pilot burning zone: this pipe surrounds a liquid fuel source and is in turn surrounded by an air supply pipe: swirling means are provided between the liquid fuel source and the coal gas pipe and between the gas pipe and the air pipe. Additional preheated air is provided by counter-current coolant air in passages formed by a double wall arrangement of the walls of the main burning zone communicating with passages of a double wall arrangement of the pilot burning zone: this preheated air is turned at the upstream end of the pilot burning zone through swirlers to mix with the original gas and air input (and the liquid fuel input when used) to provide more efficient combustion. One or more fuel injection stages (second stages) are provided for direct input of coal gas into the main burning zone. The countercurrent air coolant passages are connected to swirlers surrounding the input from each second stage to provide additional oxidant.

Autoignition Studies of Diesel Alternative Biofuels

NASA Astrophysics Data System (ADS)

Wang, Weijing

The autoignition of biofuel compounds that offer potential as diesel fuel alternatives was studied under high-pressure engine-like conditions using the shock tube technique. Ignition delay times were determined in reflected shock experiments using measured pressure and electronically-excited OH emission. Measurements were made at conditions ranging from 650 to 1350 K, pressures from 6 to 50 atm, and for fuel/air/diluent mixtures at equivalence ratios from 0.5 to 2. The wide range of temperatures examined provides observation of autoignition in three reactivity regimes, including the negative temperature coefficient (NTC) regime which is characteristic of fuels containing alkyl functionalities. Compounds studied include biodiesel-related compounds and real biodiesel fuels, dimethyl ether, and 3-methylheptane which is representative of compounds found in synthetic diesel fuels produced using the Fischer-Tropsch and hydrotreatment processes. Biodiesel compounds studied include biodiesel surrogates, methyl decanoate, methyl-5-decenoate, and methyl-9-decenoate; compounds found in large quantities in biodiesels, methyl palmitate, methyl stearate, methyl oleate, and methyl linoleate; and soy-based and animal fat based methyl ester biodiesels. Comparison of biodiesel compounds illustrates the influence of molecular structure (e.g., chain length, double bonds, and ester functionality) on reactivity. For methyl decanoate, the effect of high pressure exhaust gas recirculation (EGR) conditions relevant to internal combustion engines was also determined. Results showed that the first-order influence of EGR by displacing fuel and O2 to decrease radical branching. Measurements were compared to kinetic modeling results from models available in the literature providing varying degrees of model validation. Reaction flux analyses were also carried out to further examine the kinetic differences in different temperature regimes for fuel compounds. For example, reaction flux analyses illustrates the importance of the long alkyl chain in controlling the overall reactivity of methyl ester biodiesel compounds and the subtle role the ester group has on inhibiting low-temperature reactivity as well as the influence of branching on reactivity for lightly branched alkanes. This thesis work provides a rich database of kinetic information for biofuel-related compounds at conditions relevant to real engine operations, offering quantitative kinetic targets for the development and evaluation of future kinetic models for important alternative fuel compounds. The results quantify the reactivity variability of biodiesel alternatives and illustrate that at temperature greater than 900 to 1000 K fuel structure has little influence on reactivity, as fuel fragmentation results in an intermediate pool that is largely the same for the fuels studied. On the other hand at temperature lower than 900 K, where fuel-specific low-temperature chemistry plays a role, different fuel structures can result in vast differences in reactivity, up to factors of three or more in ignition delay.

40 CFR 60.40c - Applicability and delegation of authority.

Code of Federal Regulations, 2012 CFR

2012-07-01

... that are capable of combusting more than or equal to 2.9 MW (10 MMBtu/h) heat input of fossil fuel but less than or equal to 29 MW (100 MMBtu/h) heat input of fossil fuel. If the heat recovery steam...

40 CFR 60.40c - Applicability and delegation of authority.

Code of Federal Regulations, 2011 CFR

2011-07-01

... generators that are capable of combusting more than or equal to 2.9 MW (10 MMBtu/hr) heat input of fossil fuel but less than or equal to 29 MW (100 MMBtu/hr) heat input of fossil fuel. If the heat recovery...

40 CFR 60.40c - Applicability and delegation of authority.

Code of Federal Regulations, 2010 CFR

2010-07-01

... generators that are capable of combusting more than or equal to 2.9 MW (10 MMBtu/hr) heat input of fossil fuel but less than or equal to 29 MW (100 MMBtu/hr) heat input of fossil fuel. If the heat recovery...

40 CFR 60.40c - Applicability and delegation of authority.

Code of Federal Regulations, 2014 CFR

2014-07-01

... that are capable of combusting more than or equal to 2.9 MW (10 MMBtu/h) heat input of fossil fuel but less than or equal to 29 MW (100 MMBtu/h) heat input of fossil fuel. If the heat recovery steam...

40 CFR 60.40c - Applicability and delegation of authority.

Code of Federal Regulations, 2013 CFR

2013-07-01

... that are capable of combusting more than or equal to 2.9 MW (10 MMBtu/h) heat input of fossil fuel but less than or equal to 29 MW (100 MMBtu/h) heat input of fossil fuel. If the heat recovery steam...

Thermodynamic and kinetic modelling of fuel oxidation behaviour in operating defective fuel

NASA Astrophysics Data System (ADS)

Lewis, operating defective fuel B. J.; Thompson, W. T.; Akbari, F.; Thompson, D. M.; Thurgood, C.; Higgs, J.

2004-07-01

A theoretical treatment has been developed to predict the fuel oxidation behaviour in operating defective nuclear fuel elements. The equilibrium stoichiometry deviation in the hyper-stoichiometric fuel has been derived from thermodynamic considerations using a self-consistent set of thermodynamic properties for the U-O system, which emphasizes replication of solubilities and three-phase invariant conditions displayed in the U-O binary phase diagram. The kinetics model accounts for multi-phase transport including interstitial oxygen diffusion in the solid and gas-phase transport of hydrogen and steam in the fuel cracks. The fuel oxidation model is further coupled to a heat conduction model to account for the feedback effect of a reduced thermal conductivity in the hyper-stoichiometric fuel. A numerical solution has been developed using a finite-element technique with the FEMLAB software package. The model has been compared to available data from several in-reactor X-2 loop experiments with defective fuel conducted at the Chalk River Laboratories. The model has also been benchmarked against an O/U profile measurement for a spent defective fuel element discharged from a commercial reactor.

Opposed Jet Burner Approach for Characterizing Flameholding Potentials of Hydrocarbon Scramjet Fuels

NASA Technical Reports Server (NTRS)

Pellett, Gerald L.; Convery, Janet L.; Wilson, Lloyd G.

2006-01-01

Opposed Jet Burner (OJB) tools have been used extensively by the authors to measure Flame Strength (FS) extinction limits of laminar H2/N2 air and (recently) hydrocarbon (HC) air Counterflow Diffusion Flames (CFDFs) at one atm. This paper details normalization of FSs of N2- diluted H2 and HC systems to account for effects of fuel composition, temperature, pressure, jet diameter, inflow Reynolds number, and inflow velocity profile (plug, contoured nozzle; and parabolic, straight tube). Normalized results exemplify a sensitive accurate means of validating, globally, reduced chemical kinetic models at approx. 1 atm and the relatively low temperatures approximating the loss of non-premixed idealized flameholding, e.g., in scramjet combustors. Laminar FS is defined locally as maximum air input velocity, U(sub air), that sustains combustion of a counter-jet of g-fuel at extinction. It uniquely characterizes a fuel. And global axial strain rate at extinction (U(sub air) normalized by nozzle or tube diameter, D(sub n or (sub t)) can be compared directly with computed extinction limits, determined using either a 1-D Navier Stokes stream-function solution, using detailed transport and finite rate chemistry, or (better yet) a detailed 2-D Navier Stokes numerical simulation. The experimental results define an idealized flameholding reactivity scale that shows wide ranging (50 x) normalized FS s for various vaporized-liquid and gaseous HCs, including, in ascending order: JP-10, methane, JP-7, n-heptane, n-butane, propane, ethane, and ethylene. Results from H2 air produce a unique and exceptionally strong flame that agree within approx. 1% of a recent 2-D numerically simulated FS for a 3 mm tube-OJB. Thus we suggest that experimental FS s and/or FS ratios, for various neat and blended HCs w/ and w/o additives, offer accurate global tests of chemical kinetic models at the Ts and Ps of extinction. In conclusion, we argue the FS approach is more direct and fundamental, for assessing, e.g., idealized scramjet flameholding potentials, than measurements of laminar burning velocity or blowout in a Perfectly Stirred Reactor, because the latter characterize premixed combustion in the absence of aerodynamic strain. And FS directly measures a chemical kinetic characteristic of non-premixed combustion at typical flameholding temperatures. It mimics conditions where gfuels are typically injected into a subsonic flameholding recirculation zone that captures air, where the effects of aerodynamic strain and associated multi-component diffusion become important.

Testing of fuel/oxidizer-rich, high-pressure preburners

NASA Technical Reports Server (NTRS)

Lawver, B. R.

1982-01-01

Results of an evaluation of high pressure combustion of fuel rich and oxidizer rich LOX/RP-1 propellants using 4.0 inch diameter prototype preburner injectors and chambers are presented. Testing covered a pressure range from 8.9 to 17.5 MN/square meters (1292 to 2540 psia). Fuel rich mixture ratios ranged from 0.238 to 0.367; oxidizer rich mixture ratios ranged from 27.2 to 47.5. Performance, gas temperature uniformity, and stability data for two fuel rich and two ozidizer rich preburner injectors are presented for a conventional like-on-like (LOL) design and a platelet design injector. Kinetically limited combustion is shown by the excellent agreement of measured fuel rich gas composition and C performance data with kinetic model predictions. The oxidizer rich test results support previous equilibrium combustion predictions.

Test verification of LOX/RP-1 high-pressure fuel/oxidizer-rich preburner designs

NASA Technical Reports Server (NTRS)

Lawver, B. R.

1982-01-01

Two fuel-rich and two oxidizer-rich preburner injectors are tested with LOX/RP-1 in an investigation of performance, stability and gas temperature uniformity over a chamber pressure range from 1292 to 2540 psia. Fuel-rich mixture ratios range from 0.238 to 0.367 and oxidizer-rich mixture ratios range from 27 to 48, and carbon deposition data are collected by measuring the pressure drop across a turbine simulator flow device. The oxidizer-rich testing demonstrates the feasibility of oxidizer-rich preburners, indicating equilibrium combustion as predicted, and the measured fuel-rich gas composition and C-asterisk performance are in excellent agreement with kinetic model predictions indicating kinetically-limited combustion.

Combustor kinetic energy efficiency analysis of the hypersonic research engine data

NASA Astrophysics Data System (ADS)

Hoose, K. V.

1993-11-01

A one-dimensional method for measuring combustor performance is needed to facilitate design and development scramjet engines. A one-dimensional kinetic energy efficiency method is used for measuring inlet and nozzle performance. The objective of this investigation was to assess the use of kinetic energy efficiency as an indicator for scramjet combustor performance. A combustor kinetic energy efficiency analysis was performed on the Hypersonic Research Engine (HRE) data. The HRE data was chosen for this analysis due to its thorough documentation and availability. The combustor, inlet, and nozzle kinetic energy efficiency values were utilized to determine an overall engine kinetic energy efficiency. Finally, a kinetic energy effectiveness method was developed to eliminate thermochemical losses from the combustion of fuel and air. All calculated values exhibit consistency over the flight speed range. Effects from fuel injection, altitude, angle of attack, subsonic-supersonic combustion transition, and inlet spike position are shown and discussed. The results of analyzing the HRE data indicate that the kinetic energy efficiency method is effective as a measure of scramjet combustor performance.

Preliminary model and validation of molten carbonate fuel cell kinetics under sulphur poisoning

NASA Astrophysics Data System (ADS)

Audasso, E.; Nam, S.; Arato, E.; Bosio, B.

2017-06-01

MCFC represents an effective technology to deal with CO2 capture and relative applications. If used for these purposes, due to the working conditions and the possible feeding, MCFC must cope with a different number of poisoning gases such as sulphur compounds. In literature, different works deal with the development of kinetic models to describe MCFC performance to help both industrial applications and laboratory simulations. However, in literature attempts to realize a proper model able to consider the effects of poisoning compounds are scarce. The first aim of the present work is to provide a semi-empirical kinetic formulation capable to take into account the effects that sulphur compounds (in particular SO2) have on the MCFC performance. The second aim is to provide a practical example of how to effectively include the poisoning effects in kinetic models to simulate fuel cells performances. To test the reliability of the proposed approach, the obtained formulation is implemented in the kinetic core of the SIMFC (SIMulation of Fuel Cells) code, an MCFC 3D model realized by the Process Engineering Research Team (PERT) of the University of Genova. Validation is performed through data collected at the Korea Institute of Science and Technology in Seoul.

Steam Oxidation Testing in the Severe Accident Test Station

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

Pint, Bruce A.; McMurray, Jake W.

2016-08-01

Since 2011, Oak Ridge National Laboratory (ORNL) has been conducting high temperature steam oxidation testing of candidate alloys for accident tolerant fuel (ATF) cladding. These concepts are designed to enhance safety margins in light water reactors (LWR) during severe accident scenarios. In the US ATF community, the Severe Accident Test Station (SATS) has been evaluating candidate materials (including coatings) since 2012. Compared to the current UO 2/Zr-based alloy fuel system, alternative cladding materials need to offer slower oxidation kinetics and a smaller enthalpy of oxidation in order to significantly reduce the rate of heat and hydrogen generation in the coremore » during a coolant-limited severe accident. The steam oxidation behavior of candidate materials is a key metric in the evaluation of ATF concepts and also an important input into models. However, prior modeling work of FeCrAl cladding has used incomplete information on the physical properties of FeCrAl. Also, the steam oxidation data being collected at 1200°-1700°C is unique as no prior work has considered steam oxidation of alloys at such high temperatures. In some cases, the results have been difficult to interpret and more fundamental information is needed such as the stability of alumina in flowing steam at 1400°-1500°C. This report summarizes recent work to measure the steam oxidation kinetics of candidate alloys, the evaporation rate of alumina in steam and the development of integral data on FeCrAl compared to conventional Zr-based cladding.« less

Proceedings of the 6. international conference on stability and handling of liquid fuels. Volume 2

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

Giles, H.N.

Volume 2 of these proceedings contain 42 papers arranged under the following topical sections: Fuel blending and compatibility; Middle distillates; Microbiology; Alternative fuels; General topics (analytical methods, tank remediation, fuel additives, storage stability); and Poster presentations (analysis methods, oxidation kinetics, health problems).

THE ECONOMICS OF REPROCESSING vs DIRECT DISPOSAL OF SPENT NUCLEAR FUEL

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

Matthew Bunn; Steve Fetter; John P. Holdren

This report assesses the economics of reprocessing versus direct disposal of spent nuclear fuel. The breakeven uranium price at which reprocessing spent nuclear fuel from existing light-water reactors (LWRs) and recycling the resulting plutonium and uranium in LWRs would become economic is assessed, using central estimates of the costs of different elements of the nuclear fuel cycle (and other fuel cycle input parameters), for a wide range of range of potential reprocessing prices. Sensitivity analysis is performed, showing that the conclusions reached are robust across a wide range of input parameters. The contribution of direct disposal or reprocessing and recyclingmore » to electricity cost is also assessed. The choice of particular central estimates and ranges for the input parameters of the fuel cycle model is justified through a review of the relevant literature. The impact of different fuel cycle approaches on the volume needed for geologic repositories is briefly discussed, as are the issues surrounding the possibility of performing separations and transmutation on spent nuclear fuel to reduce the need for additional repositories. A similar analysis is then performed of the breakeven uranium price at which deploying fast neutron breeder reactors would become competitive compared with a once-through fuel cycle in LWRs, for a range of possible differences in capital cost between LWRs and fast neutron reactors. Sensitivity analysis is again provided, as are an analysis of the contribution to electricity cost, and a justification of the choices of central estimates and ranges for the input parameters. The equations used in the economic model are derived and explained in an appendix. Another appendix assesses the quantities of uranium likely to be recoverable worldwide in the future at a range of different possible future prices.« less

Turbulent Flame Speeds and NOx Kinetics of HHC Fuels with Contaminants and High Dilution Levels

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

Peterson, Eric; Krejci, Michael; Mathieu, Olivier

2014-01-24

This final report documents the technical results of the 3-year project entitled, “Turbulent Flame Speeds and NOx Kinetics of HHC Fuels with Contaminants and High Dilution Levels,” funded under the NETL of DOE. The research was conducted under six main tasks: 1) program management and planning; 2) turbulent flame speed measurements of syngas mixtures; 3) laminar flame speed measurements with diluents; 4) NOx mechanism validation experiments; 5) fundamental NOx kinetics; and 6) the effect of impurities on NOx kinetics. Experiments were performed using primary constant-volume vessels for laminar and turbulent flame speeds and shock tubes for ignition delay times andmore » species concentrations. In addition to the existing shock- tube and flame speed facilities, a new capability in measuring turbulent flame speeds was developed under this grant. Other highlights include an improved NOx kinetics mechanism; a database on syngas blends for real fuel mixtures with and without impurities; an improved hydrogen sulfide mechanism; an improved ammonia kintics mechanism; laminar flame speed data at high pressures with water addition; and the development of an inexpensive absorption spectroscopy diagnostic for shock-tube measurements of OH time histories. The Project Results for this work can be divided into 13 major sections, which form the basis of this report. These 13 topics are divided into the five areas: 1) laminar flame speeds; 2) Nitrogen Oxide and Ammonia chemical kinetics; 3) syngas impurities chemical kinetics; 4) turbulent flame speeds; and 5) OH absorption measurements for chemical kinetics.« less

Kinetic studies of ICF implosions

DOE PAGES

Kagan, Grigory; Herrmann, H. W.; Kim, Y. -H.; ...

2016-05-26

Here, kinetic effects on inertial confinement fusion have been investigated. In particular, inter-ion-species diffusion and suprathermal ion distribution have been analyzed. The former drives separation of the fuel constituents in the hot reacting core and governs mix at the shell/fuel interface. The latter underlie measurements obtained with nuclear diagnostics, including the fusion yield and inferred ion burn temperatures. Basic mechanisms behind and practical consequences from these effects are discussed.

A Rate-Theory-Phase-Field Model of Irradiation-Induced Recrystallization in UMo Nuclear Fuels

NASA Astrophysics Data System (ADS)

Hu, Shenyang; Joshi, Vineet; Lavender, Curt A.

2017-12-01

In this work, we developed a recrystallization model to study the effect of microstructures and radiation conditions on recrystallization kinetics in UMo fuels. The model integrates the rate theory of intragranular gas bubble and interstitial loop evolutions and a phase-field model of recrystallization zone evolution. A first passage method is employed to describe one-dimensional diffusion of interstitials with a diffusivity value several orders of magnitude larger than that of fission gas xenons. With the model, the effect of grain sizes on recrystallization kinetics is simulated. The results show that (1) recrystallization in large grains starts earlier than that in small grains, (2) the recrystallization kinetics (recrystallization volume fraction) decrease as the grain size increases, (3) the predicted recrystallization kinetics are consistent with the experimental results, and (4) the recrystallization kinetics can be described by the modified Avrami equation, but the parameters of the Avrami equation strongly depend on the grain size.

Minimum data requirement for neural networks based on power spectral density analysis.

PubMed

Deng, Jiamei; Maass, Bastian; Stobart, Richard

2012-04-01

One of the most critical challenges ahead for diesel engines is to identify new techniques for fuel economy improvement without compromising emissions regulations. One technique is the precise control of air/fuel ratio, which requires the measurement of instantaneous fuel consumption. Measurement accuracy and repeatability for fuel rate is the key to successfully controlling the air/fuel ratio and real-time measurement of fuel consumption. The volumetric and gravimetric measurement principles are well-known methods for measurement of fuel consumption in internal combustion engines. However, the fuel flow rate measured by these methods is not suitable for either real-time control or real-time measurement purposes because of the intermittent nature of the measurements. This paper describes a technique that can be used to find the minimum data [consisting of data from just 2.5% of the non-road transient cycle (NRTC)] to solve the problem concerning discontinuous data of fuel flow rate measured using an AVL 733S fuel meter for a medium or heavy-duty diesel engine using neural networks. Only torque and speed are used as the input parameters for the fuel flow rate prediction. Power density analysis is used to find the minimum amount of the data. The results show that the nonlinear autoregressive model with exogenous inputs could predict the particulate matter successfully with R(2) above 0.96 using 2.5% NRTC data with only torque and speed as inputs.

Experimental and Modeling Studies of the Combustion Characteristics of Conventional and Alternative Jet Fuels. Final Report

NASA Technical Reports Server (NTRS)

Meeks, Ellen; Naik, Chitral V.; Puduppakkam, Karthik V.; Modak, Abhijit; Egolfopoulos, Fokion N.; Tsotsis, Theo; Westbrook, Charles K.

2011-01-01

The objectives of this project have been to develop a comprehensive set of fundamental data regarding the combustion behavior of jet fuels and appropriately associated model fuels. Based on the fundamental study results, an auxiliary objective was to identify differentiating characteristics of molecular fuel components that can be used to explain different fuel behavior and that may ultimately be used in the planning and design of optimal fuel-production processes. The fuels studied in this project were Fischer-Tropsch (F-T) fuels and biomass-derived jet fuels that meet certain specifications of currently used jet propulsion applications. Prior to this project, there were no systematic experimental flame data available for such fuels. One of the key goals has been to generate such data, and to use this data in developing and verifying effective kinetic models. The models have then been reduced through automated means to enable multidimensional simulation of the combustion characteristics of such fuels in real combustors. Such reliable kinetic models, validated against fundamental data derived from laminar flames using idealized flow models, are key to the development and design of optimal combustors and fuels. The models provide direct information about the relative contribution of different molecular constituents to the fuel performance and can be used to assess both combustion and emissions characteristics.

Assessment of current atomic scale modelling methods for the investigation of nuclear fuels under irradiation: Example of uranium dioxide

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

Bertolus, Marjorie; Krack, Matthias; Freyss, Michel

Multiscale approaches are developed to build more physically based kinetic and mechanical mesoscale models to enhance the predictive capability of fuel performance codes and increase the efficiency of the development of the safer and more innovative nuclear materials needed in the future. Atomic scale methods, and in particular electronic structure and empirical potential methods, form the basis of this multiscale approach. It is therefore essential to know the accuracy of the results computed at this scale if we want to feed them into higher scale models. We focus here on the assessment of the description of interatomic interactions in uraniummore » dioxide using on the one hand electronic structure methods, in particular in the density functional theory (DFT) framework and on the other hand empirical potential methods. These two types of methods are complementary, the former enabling to get results from a minimal amount of input data and further insight into the electronic and magnetic properties, while the latter are irreplaceable for studies where a large number of atoms needs to be considered. We consider basic properties as well as specific ones, which are important for the description of nuclear fuel under irradiation. These are especially energies, which are the main data passed to higher scale models. We limit ourselves to uranium dioxide.« less

Dual-input two-compartment pharmacokinetic model of dynamic contrast-enhanced magnetic resonance imaging in hepatocellular carcinoma.

PubMed

Yang, Jian-Feng; Zhao, Zhen-Hua; Zhang, Yu; Zhao, Li; Yang, Li-Ming; Zhang, Min-Ming; Wang, Bo-Yin; Wang, Ting; Lu, Bao-Chun

2016-04-07

To investigate the feasibility of a dual-input two-compartment tracer kinetic model for evaluating tumorous microvascular properties in advanced hepatocellular carcinoma (HCC). From January 2014 to April 2015, we prospectively measured and analyzed pharmacokinetic parameters [transfer constant (Ktrans), plasma flow (Fp), permeability surface area product (PS), efflux rate constant (kep), extravascular extracellular space volume ratio (ve), blood plasma volume ratio (vp), and hepatic perfusion index (HPI)] using dual-input two-compartment tracer kinetic models [a dual-input extended Tofts model and a dual-input 2-compartment exchange model (2CXM)] in 28 consecutive HCC patients. A well-known consensus that HCC is a hypervascular tumor supplied by the hepatic artery and the portal vein was used as a reference standard. A paired Student's t-test and a nonparametric paired Wilcoxon rank sum test were used to compare the equivalent pharmacokinetic parameters derived from the two models, and Pearson correlation analysis was also applied to observe the correlations among all equivalent parameters. The tumor size and pharmacokinetic parameters were tested by Pearson correlation analysis, while correlations among stage, tumor size and all pharmacokinetic parameters were assessed by Spearman correlation analysis. The Fp value was greater than the PS value (FP = 1.07 mL/mL per minute, PS = 0.19 mL/mL per minute) in the dual-input 2CXM; HPI was 0.66 and 0.63 in the dual-input extended Tofts model and the dual-input 2CXM, respectively. There were no significant differences in the kep, vp, or HPI between the dual-input extended Tofts model and the dual-input 2CXM (P = 0.524, 0.569, and 0.622, respectively). All equivalent pharmacokinetic parameters, except for ve, were correlated in the two dual-input two-compartment pharmacokinetic models; both Fp and PS in the dual-input 2CXM were correlated with Ktrans derived from the dual-input extended Tofts model (P = 0.002, r = 0.566; P = 0.002, r = 0.570); kep, vp, and HPI between the two kinetic models were positively correlated (P = 0.001, r = 0.594; P = 0.0001, r = 0.686; P = 0.04, r = 0.391, respectively). In the dual input extended Tofts model, ve was significantly less than that in the dual input 2CXM (P = 0.004), and no significant correlation was seen between the two tracer kinetic models (P = 0.156, r = 0.276). Neither tumor size nor tumor stage was significantly correlated with any of the pharmacokinetic parameters obtained from the two models (P > 0.05). A dual-input two-compartment pharmacokinetic model (a dual-input extended Tofts model and a dual-input 2CXM) can be used in assessing the microvascular physiopathological properties before the treatment of advanced HCC. The dual-input extended Tofts model may be more stable in measuring the ve; however, the dual-input 2CXM may be more detailed and accurate in measuring microvascular permeability.

Life cycle assessment of the production of hydrogen and transportation fuels from corn stover via fast pyrolysis

NASA Astrophysics Data System (ADS)

Zhang, Yanan; Hu, Guiping; Brown, Robert C.

2013-06-01

This life cycle assessment evaluates and quantifies the environmental impacts of the production of hydrogen and transportation fuels from the fast pyrolysis and upgrading of corn stover. Input data for this analysis come from Aspen Plus modeling, a GREET (Greenhouse Gases, Regulated Emissions, and Energy Use in Transportation) model database and a US Life Cycle Inventory Database. SimaPro 7.3 software is employed to estimate the environmental impacts. The results indicate that the net fossil energy input is 0.25 MJ and 0.23 MJ per km traveled for a light-duty vehicle fueled by gasoline and diesel fuel, respectively. Bio-oil production requires the largest fossil energy input. The net global warming potential (GWP) is 0.037 kg CO2eq and 0.015 kg CO2eq per km traveled for a vehicle fueled by gasoline and diesel fuel, respectively. Vehicle operations contribute up to 33% of the total positive GWP, which is the largest greenhouse gas footprint of all the unit processes. The net GWPs in this study are 88% and 94% lower than for petroleum-based gasoline and diesel fuel (2005 baseline), respectively. Biomass transportation has the largest impact on ozone depletion among all of the unit processes. Sensitivity analysis shows that fuel economy, transportation fuel yield, bio-oil yield, and electricity consumption are the key factors that influence greenhouse gas emissions.

Simulation and assessment of ion kinetic effects in a direct-drive capsule implosion experiment

DOE PAGES

Le, Ari Yitzchak; Kwan, Thomas J. T.; Schmitt, Mark J.; ...

2016-10-24

The first simulations employing a kinetic treatment of both fuel and shell ions to model inertial confinement fusion experiments are presented, including results showing the importance of kinetic physics processes in altering fusion burn. A pair of direct drive capsule implosions performed at the OMEGA facility with two different gas fills of deuterium, tritium, and helium-3 are analyzed. During implosion shock convergence, highly non-Maxwellian ion velocity distributions and separations in the density and temperature amongst the ion species are observed. Finally, diffusion of fuel into the capsule shell is identified as a principal process that degrades fusion burn performance.

Communication — Modeling polymer-electrolyte fuel-cell agglomerates with double-trap kinetics

DOE PAGES

Pant, Lalit M.; Weber, Adam Z.

2017-04-14

A new semi-analytical agglomerate model is presented for polymer-electrolyte fuel-cell cathodes. The model uses double-trap kinetics for the oxygen-reduction reaction, which can capture the observed potential-dependent coverage and Tafel-slope changes. An iterative semi-analytical approach is used to obtain reaction rate constants from the double-trap kinetics, oxygen concentration at the agglomerate surface, and overall agglomerate reaction rate. The analytical method can predict reaction rates within 2% of the numerically simulated values for a wide range of oxygen concentrations, overpotentials, and agglomerate sizes, while saving simulation time compared to a fully numerical approach.

NETL - Fuel Reforming Facilities

ScienceCinema

None

2018-01-26

Research using NETL's Fuel Reforming Facilities explores catalytic issues inherent in fossil-energy related applications, including catalyst synthesis and characterization, reaction kinetics, catalyst activity and selectivity, catalyst deactivation, and stability.

Duct flow nonuniformities for Space Shuttle Main Engine (SSME)

NASA Technical Reports Server (NTRS)

1987-01-01

A three-duct Space Shuttle Main Engine (SSME) Hot Gas Manifold geometry code was developed for use. The methodology of the program is described, recommendations on its implementation made, and an input guide, input deck listing, and a source code listing provided. The code listing is strewn with an abundance of comments to assist the user in following its development and logic. A working source deck will be provided. A thorough analysis was made of the proper boundary conditions and chemistry kinetics necessary for an accurate computational analysis of the flow environment in the SSME fuel side preburner chamber during the initial startup transient. Pertinent results were presented to facilitate incorporation of these findings into an appropriate CFD code. The computation must be a turbulent computation, since the flow field turbulent mixing will have a profound effect on the chemistry. Because of the additional equations demanded by the chemistry model it is recommended that for expediency a simple algebraic mixing length model be adopted. Performing this computation for all or selected time intervals of the startup time will require an abundance of computer CPU time regardless of the specific CFD code selected.

Fuel Cell/Electrochemical Cell Voltage Monitor

NASA Technical Reports Server (NTRS)

Vasquez, Arturo

2012-01-01

A concept has been developed for a new fuel cell individual-cell-voltage monitor that can be directly connected to a multi-cell fuel cell stack for direct substack power provisioning. It can also provide voltage isolation for applications in high-voltage fuel cell stacks. The technology consists of basic modules, each with an 8- to 16-cell input electrical measurement connection port. For each basic module, a power input connection would be provided for direct connection to a sub-stack of fuel cells in series within the larger stack. This power connection would allow for module power to be available in the range of 9-15 volts DC. The relatively low voltage differences that the module would encounter from the input electrical measurement connection port, coupled with the fact that the module's operating power is supplied by the same substack voltage input (and so will be at similar voltage), provides for elimination of high-commonmode voltage issues within each module. Within each module, there would be options for analog-to-digital conversion and data transfer schemes. Each module would also include a data-output/communication port. Each of these ports would be required to be either non-electrical (e.g., optically isolated) or electrically isolated. This is necessary to account for the fact that the plurality of modules attached to the stack will normally be at a range of voltages approaching the full range of the fuel cell stack operating voltages. A communications/ data bus could interface with the several basic modules. Options have been identified for command inputs from the spacecraft vehicle controller, and for output-status/data feeds to the vehicle.

VERA and VERA-EDU 3.5 Release Notes

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

Sieger, Matt; Salko, Robert K.; Kochunas, Brendan M.

The Virtual Environment for Reactor Applications components included in this distribution include selected computational tools and supporting infrastructure that solve neutronics, thermal-hydraulics, fuel performance, and coupled neutronics-thermal hydraulics problems. The infrastructure components provide a simplified common user input capability and provide for the physics integration with data transfer and coupled-physics iterative solution algorithms. Neutronics analysis can be performed for 2D lattices, 2D core and 3D core problems for pressurized water reactor geometries that can be used to calculate criticality and fission rate distributions by pin for input fuel compositions. MPACT uses the Method of Characteristics transport approach for 2D problems.more » For 3D problems, MPACT uses the 2D/1D method which uses 2D MOC in a radial plane and diffusion or SPn in the axial direction. MPACT includes integrated cross section capabilities that provide problem-specific cross sections generated using the subgroup methodology. The code can be executed both 2D and 3D problems in parallel to reduce overall run time. A thermal-hydraulics capability is provided with CTF (an updated version of COBRA-TF) that allows thermal-hydraulics analyses for single and multiple assemblies using the simplified VERA common input. This distribution also includes coupled neutronics/thermal-hydraulics capabilities to allow calculations using MPACT coupled with CTF. The VERA fuel rod performance component BISON calculates, on a 2D or 3D basis, fuel rod temperature, fuel rod internal pressure, free gas volume, clad integrity and fuel rod waterside diameter. These capabilities allow simulation of power cycling, fuel conditioning and deconditioning, high burnup performance, power uprate scoping studies, and accident performance. Input/Output capabilities include the VERA Common Input (VERAIn) script which converts the ASCII common input file to the intermediate XML used to drive all of the physics codes in the VERA Core Simulator (VERA-CS). VERA component codes either input the VERA XML format directly, or provide a preprocessor which can convert the XML into native input. VERAView is an interactive graphical interface for the visualization and engineering analyses of output data from VERA. The python-based software is easy to install and intuitive to use, and provides instantaneous 2D and 3D images, 1D plots, and alpha-numeric data from VERA multi-physics simulations. Testing within CASL has focused primarily on Westinghouse four-loop reactor geometries and conditions with example problems included in the distribution.« less

Predicted exhaust emissions from a methanol and jet fueled gas turbine combustor

NASA Technical Reports Server (NTRS)

Adelman, H. G.; Browning, L. H.; Pefley, R. K.

1975-01-01

A computer model of a gas turbine combustor has been used to predict the kinetic combustion and pollutant formation processes for methanol and simulated jet fuel. Use of the kinetic reaction mechanisms has also allowed a study of ignition delay and flammability limit of these two fuels. The NOX emissions for methanol were predicted to be from 69 to 92% lower than those for jet fuel at the same equivalence ratio which is in agreement with experimentally observed results. The high heat of vaporization of methanol lowers both the combustor inlet mixture temperatures and the final combustion temperatures. The lower combustion temperatures lead to low NOX emissions while the lower inlet mixture temperatures increase methanol's ignition delay. This increase in ignition delay dictates the lean flammability limit of methanol to be 0.8, while jet fuel is shown to combust at 0.4.

Reduced chemical kinetic model of detonation combustion of one- and multi-fuel gaseous mixtures with air

NASA Astrophysics Data System (ADS)

Fomin, P. A.

2018-03-01

Two-step approximate models of chemical kinetics of detonation combustion of (i) one hydrocarbon fuel CnHm (for example, methane, propane, cyclohexane etc.) and (ii) multi-fuel gaseous mixtures (∑aiCniHmi) (for example, mixture of methane and propane, synthesis gas, benzene and kerosene) are presented for the first time. The models can be used for any stoichiometry, including fuel/fuels-rich mixtures, when reaction products contain molecules of carbon. Owing to the simplicity and high accuracy, the models can be used in multi-dimensional numerical calculations of detonation waves in corresponding gaseous mixtures. The models are in consistent with the second law of thermodynamics and Le Chatelier's principle. Constants of the models have a clear physical meaning. The models can be used for calculation thermodynamic parameters of the mixture in a state of chemical equilibrium.

Fuel Combustion and Engine Performance | Transportation Research | NREL

Science.gov Websites

. Through modeling, simulation, and experimental validation, researchers examine what happens to fuel inside combustion and engine research activities include: Developing experimental and simulation research platforms develop and refine accurate, efficient kinetic mechanisms for fuel ignition Investigating low-speed pre

Analysis of fluid fuel flow to the neutron kinetics on molten salt reactor FUJI-12

NASA Astrophysics Data System (ADS)

Aji, Indarta Kuncoro; Waris, Abdul; Permana, Sidik

2015-09-01

Molten Salt Reactor is a reactor are operating with molten salt fuel flowing. This condition interpret that the neutron kinetics of this reactor is affected by the flow rate of the fuel. This research analyze effect by the alteration velocity of the fuel by MSR type Fuji-12, with fuel composition LiF-BeF2-ThF4-233UF4 respectively 71.78%-16%-11.86%-0.36%. Calculation process in this study is performed numerically by SOR and finite difference method use C programming language. Data of reactivity, neutron flux, and the macroscopic fission cross section for calculation process obtain from SRAC-CITATION (Standard thermal Reactor Analysis Code) and JENDL-4.0 data library. SRAC system designed and developed by JAEA (Japan Atomic Energy Agency). This study aims to observe the effect of the velocity of fuel salt to the power generated from neutron precursors at fourth year of reactor operate (last critical condition) with number of multiplication effective; 1.0155.

40 CFR 60.40Da - Applicability and designation of affected facility.

Code of Federal Regulations, 2014 CFR

2014-07-01

... than 73 megawatts (MW) (250 million British thermal units per hour (MMBtu/hr)) heat input of fossil... capable of combusting more than 73 MW (250 MMBtu/h) heat input of fossil fuel (either alone or in... reconstruction after February 28, 2005. (c) Any change to an existing fossil-fuel-fired steam generating unit to...

40 CFR 60.40Da - Applicability and designation of affected facility.

Code of Federal Regulations, 2013 CFR

2013-07-01

... than 73 megawatts (MW) (250 million British thermal units per hour (MMBtu/hr)) heat input of fossil... capable of combusting more than 73 MW (250 MMBtu/h) heat input of fossil fuel (either alone or in... reconstruction after February 28, 2005. (c) Any change to an existing fossil-fuel-fired steam generating unit to...

40 CFR 60.40Da - Applicability and designation of affected facility.

Code of Federal Regulations, 2012 CFR

2012-07-01

... than 73 megawatts (MW) (250 million British thermal units per hour (MMBtu/hr)) heat input of fossil... capable of combusting more than 73 MW (250 MMBtu/h) heat input of fossil fuel (either alone or in... reconstruction after February 28, 2005. (c) Any change to an existing fossil-fuel-fired steam generating unit to...

Chemical kinetic simulation of kerosene combustion in an individual flame tube.

PubMed

Zeng, Wen; Liang, Shuang; Li, Hai-Xia; Ma, Hong-An

2014-05-01

The use of detailed chemical reaction mechanisms of kerosene is still very limited in analyzing the combustion process in the combustion chamber of the aircraft engine. In this work, a new reduced chemical kinetic mechanism for fuel n-decane, which selected as a surrogate fuel for kerosene, containing 210 elemental reactions (including 92 reversible reactions and 26 irreversible reactions) and 50 species was developed, and the ignition and combustion characteristics of this fuel in both shock tube and flat-flame burner were kinetic simulated using this reduced reaction mechanism. Moreover, the computed results were validated by experimental data. The calculated values of ignition delay times at pressures of 12, 50 bar and equivalence ratio is 1.0, 2.0, respectively, and the main reactants and main products mole fractions using this reduced reaction mechanism agree well with experimental data. The combustion processes in the individual flame tube of a heavy duty gas turbine combustor were simulated by coupling this reduced reaction mechanism of surrogate fuel n-decane and one step reaction mechanism of surrogate fuel C12H23 into the computational fluid dynamics software. It was found that this reduced reaction mechanism is shown clear advantages in simulating the ignition and combustion processes in the individual flame tube over the one step reaction mechanism.

Chemical kinetic simulation of kerosene combustion in an individual flame tube

PubMed Central

Zeng, Wen; Liang, Shuang; Li, Hai-xia; Ma, Hong-an

2013-01-01

The use of detailed chemical reaction mechanisms of kerosene is still very limited in analyzing the combustion process in the combustion chamber of the aircraft engine. In this work, a new reduced chemical kinetic mechanism for fuel n-decane, which selected as a surrogate fuel for kerosene, containing 210 elemental reactions (including 92 reversible reactions and 26 irreversible reactions) and 50 species was developed, and the ignition and combustion characteristics of this fuel in both shock tube and flat-flame burner were kinetic simulated using this reduced reaction mechanism. Moreover, the computed results were validated by experimental data. The calculated values of ignition delay times at pressures of 12, 50 bar and equivalence ratio is 1.0, 2.0, respectively, and the main reactants and main products mole fractions using this reduced reaction mechanism agree well with experimental data. The combustion processes in the individual flame tube of a heavy duty gas turbine combustor were simulated by coupling this reduced reaction mechanism of surrogate fuel n-decane and one step reaction mechanism of surrogate fuel C12H23 into the computational fluid dynamics software. It was found that this reduced reaction mechanism is shown clear advantages in simulating the ignition and combustion processes in the individual flame tube over the one step reaction mechanism. PMID:25685503

Apparatus and method for operating internal combustion engines from variable mixtures of gaseous fuels

DOEpatents

Heffel, James W [Lake Matthews, CA; Scott, Paul B [Northridge, CA; Park, Chan Seung [Yorba Linda, CA

2011-11-01

An apparatus and method for utilizing any arbitrary mixture ratio of multiple fuel gases having differing combustion characteristics, such as natural gas and hydrogen gas, within an internal combustion engine. The gaseous fuel composition ratio is first sensed, such as by thermal conductivity, infrared signature, sound propagation speed, or equivalent mixture differentiation mechanisms and combinations thereof which are utilized as input(s) to a "multiple map" engine control module which modulates selected operating parameters of the engine, such as fuel injection and ignition timing, in response to the proportions of fuel gases available so that the engine operates correctly and at high efficiency irrespective of the gas mixture ratio being utilized. As a result, an engine configured according to the teachings of the present invention may be fueled from at least two different fuel sources without admixing constraints.

Apparatus and method for operating internal combustion engines from variable mixtures of gaseous fuels

DOEpatents

Heffel, James W.; Scott, Paul B.

2003-09-02

An apparatus and method for utilizing any arbitrary mixture ratio of multiple fuel gases having differing combustion characteristics, such as natural gas and hydrogen gas, within an internal combustion engine. The gaseous fuel composition ratio is first sensed, such as by thermal conductivity, infrared signature, sound propagation speed, or equivalent mixture differentiation mechanisms and combinations thereof which are utilized as input(s) to a "multiple map" engine control module which modulates selected operating parameters of the engine, such as fuel injection and ignition timing, in response to the proportions of fuel gases available so that the engine operates correctly and at high efficiency irrespective of the gas mixture ratio being utilized. As a result, an engine configured according to the teachings of the present invention may be fueled from at least two different fuel sources without admixing constraints.

40 CFR 49.125 - Rule for limiting the emissions of particulate matter.

Code of Federal Regulations, 2012 CFR

2012-07-01

..., gaseous fuel, heat input, incinerator, marine vessel, mobile sources, motor vehicle, nonroad engine..., residual fuel oil, solid fuel, stack, standard conditions, stationary source, uncombined water, used oil...

40 CFR 49.125 - Rule for limiting the emissions of particulate matter.

Code of Federal Regulations, 2014 CFR

2014-07-01

..., gaseous fuel, heat input, incinerator, marine vessel, mobile sources, motor vehicle, nonroad engine..., residual fuel oil, solid fuel, stack, standard conditions, stationary source, uncombined water, used oil...

Sensitivity of fire behavior simulations to fuel model variations

Treesearch

Lucy A. Salazar

1985-01-01

Stylized fuel models, or numerical descriptions of fuel arrays, are used as inputs to fire behavior simulation models. These fuel models are often chosen on the basis of generalized fuel descriptions, which are related to field observations. Site-specific observations of fuels or fire behavior in the field are not readily available or necessary for most fire management...

Block Copolymers for Alkaline Fuel Cell Membrane Materials

DTIC Science & Technology

2014-07-30

temperature fuel cells including proton exchange membrane fuel cell ( PEMFC ) and alkaline fuel cell (AFC) with operation temperature usually lower than 120...advantages over proton exchange membrane fuel cells ( PEMFCs ) resulting in the popularity of AFCs in the US space program.[8-11] The primary benefit AFC...offered over PEMFC is better electrochemical kinetics on the anode and cathode under the alkaline environment, which results in the ability to use

Analysis of Thermal and Chemical Effets on Negative Valve Overlap Period Energy Recovery for Low-Temperature Gasoline Combustion

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

Ekoto, Dr Isaac; Peterson, Dr. Brian; Szybist, James P

2015-01-01

A central challenge for efficient auto-ignition controlled low-temperature gasoline combustion (LTGC) engines has been achieving the combustion phasing needed to reach stable performance over a wide operating regime. The negative valve overlap (NVO) strategy has been explored as a way to improve combustion stability through a combination of charge heating and altered reactivity via a recompression stroke with a pilot fuel injection. The study objective was to analyze the thermal and chemical effects on NVO-period energy recovery. The analysis leveraged experimental gas sampling results obtained from a single-cylinder LTGC engine along with cylinder pressure measurements and custom data reduction methodsmore » used to estimate period thermodynamic properties. The engine was fueled by either iso-octane or ethanol, and operated under sweeps of NVO-period oxygen concentration, injection timing, and fueling rate. Gas sampling at the end of the NVO period was performed via a custom dump-valve apparatus, with detailed sample speciation by in-house gas chromatography. The balance of NVO-period input and output energy flows was calculated in terms of fuel energy, work, heat loss, and change in sensible energy. Experiment results were complemented by detailed chemistry single-zone reactor simulations performed at relevant mixing and thermodynamic conditions, with results used to evaluate ignition behavior and expected energy recovery yields. For the intermediate bulk-gas temperatures present during the NVO period (900-1100 K), weak negative temperature coefficient behavior with iso-octane fueling significantly lengthened ignition delays relative to similar ethanol fueled conditions. Faster ethanol ignition chemistry led to lower recovered fuel intermediate yields relative to similar iso-octane fueled conditions due to more complete fuel oxidation. From the energy analysis it was found that increased NVO-period global equivalence ratio, either from lower NVOperiod oxygen concentrations or higher fueling rates, in general led to a greater fraction of net recovered fuel energy and work as heat losses were minimized. These observations were supported by complementary single-zone reactor model results, which further indicated that kinetic time-scales favor chemical energy-consuming exothermic oxidation over slower endothermic reformation. Nonetheless, fuel energy recovery close to the thermodynamic equilibrium solution was achieved for baseline conditions that featured 4% NVO-period oxygen concentration.« less

40 CFR 60.43 - Standard for sulfur dioxide (SO2).

Code of Federal Regulations, 2010 CFR

2010-07-01

... (CONTINUED) STANDARDS OF PERFORMANCE FOR NEW STATIONARY SOURCES Standards of Performance for Fossil-Fuel... from liquid fossil fuel or liquid fossil fuel and wood residue. (2) 520 ng/J heat input (1.2 lb/MMBtu) derived from solid fossil fuel or solid fossil fuel and wood residue, except as provided in paragraph (e...

40 CFR 60.43 - Standard for sulfur dioxide (SO2).

Code of Federal Regulations, 2011 CFR

2011-07-01

... (CONTINUED) STANDARDS OF PERFORMANCE FOR NEW STATIONARY SOURCES Standards of Performance for Fossil-Fuel... from liquid fossil fuel or liquid fossil fuel and wood residue. (2) 520 ng/J heat input (1.2 lb/MMBtu) derived from solid fossil fuel or solid fossil fuel and wood residue, except as provided in paragraph (e...

40 CFR 60.43c - Standard for particulate matter (PM).

Code of Federal Regulations, 2010 CFR

2010-07-01

... construction, reconstruction, or modification on or before February 28, 2005, that combusts coal or combusts mixtures of coal with other fuels and has a heat input capacity of 8.7 MW (30 MMBtu/hr) or greater, shall... mixtures of wood with other fuels (except coal) and has a heat input capacity of 8.7 MW (30 MMBtu/hr) or...

Dynamics of Peroxy and Alkenyl Radicals Undergoing Competing Rearrangements in Biodiesel Combustion

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

Dibble, Theodore S.

Biodiesel fuel is increasingly being used worldwide. Although we have a fair understanding of the molecular details of the chemistry of peroxy radicals derived from alkanes, biodiesel fuels contain ester and olefin groups which significantly impact the thermodynamics and kinetics of biodiesel ignition. The broader goal of this research is to carry out systematic computational studies of the elementary kinetics of the chemistry of ROO•, QOOH and •OOQOOH compounds that are models for biodiesel ignition.

Uranium dioxide fuel cladding strain investigation with the use of CYGRO-2 computer program

NASA Technical Reports Server (NTRS)

Smith, J. R.

1973-01-01

Previously irradiated UO2 thermionic fuel pins in which gross fuel-cladding strain occurred were modeled with the use of a computer program to define controlling parameters which may contribute to cladding strain. The computed strain was compared with measured strain, and the computer input data were studied in an attempt to get agreement with measured strain. Because of the limitations of the program and uncertainties in input data, good agreement with measured cladding strain was not attained. A discussion of these limitations is presented.

Free Energy and Heat Capacity

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

Kurata, Masaki; Devanathan, Ramaswami

2015-10-13

Free energy and heat capacity of actinide elements and compounds are important properties for the evaluation of the safety and reliable performance of nuclear fuel. They are essential inputs for models that describe complex phenomena that govern the behaviour of actinide compounds during nuclear fuel fabrication and irradiation. This chapter introduces various experimental methods to measure free energy and heat capacity to serve as inputs for models and to validate computer simulations. This is followed by a discussion of computer simulation of these properties, and recent simulations of thermophysical properties of nuclear fuel are briefly reviewed.

Fundamental challenges to methane recovery from gas hydrates

USGS Publications Warehouse

Servio, P.; Eaton, M.W.; Mahajan, D.; Winters, W.J.

2005-01-01

The fundamental challenges, the location, magnitude, and feasibility of recovery, which must be addressed to recover methane from dispersed hydrate sources, are presented. To induce dissociation of gas hydrate prior to methane recovery, two potential methods are typically considered. Because thermal stimulation requires a large energy input, it is less economically feasible than depressurization. The new data will allow the study of the effect of pressure, temperature, diffusion, porosity, tortuosity, composition of gas and water, and porous media on gas-hydrate production. These data also will allow one to improve existing models related to the stability and dissociation of sea floor hydrates. The reproducible kinetic data from the planned runs together with sediment properties will aid in developing a process to economically recover methane from a potential untapped hydrate source. The availability of plentiful methane will allow economical and large-scale production of methane-derived clean fuels to help avert future energy crises.

Dynamic PET of human liver inflammation: impact of kinetic modeling with optimization-derived dual-blood input function.

PubMed

Wang, Guobao; Corwin, Michael T; Olson, Kristin A; Badawi, Ramsey D; Sarkar, Souvik

2018-05-30

The hallmark of nonalcoholic steatohepatitis is hepatocellular inflammation and injury in the setting of hepatic steatosis. Recent work has indicated that dynamic 18F-FDG PET with kinetic modeling has the potential to assess hepatic inflammation noninvasively, while static FDG-PET did not show a promise. Because the liver has dual blood supplies, kinetic modeling of dynamic liver PET data is challenging in human studies. The objective of this study is to evaluate and identify a dual-input kinetic modeling approach for dynamic FDG-PET of human liver inflammation. Fourteen human patients with nonalcoholic fatty liver disease were included in the study. Each patient underwent one-hour dynamic FDG-PET/CT scan and had liver biopsy within six weeks. Three models were tested for kinetic analysis: traditional two-tissue compartmental model with an image-derived single-blood input function (SBIF), model with population-based dual-blood input function (DBIF), and modified model with optimization-derived DBIF through a joint estimation framework. The three models were compared using Akaike information criterion (AIC), F test and histopathologic inflammation reference. The results showed that the optimization-derived DBIF model improved the fitting of liver time activity curves and achieved lower AIC values and higher F values than the SBIF and population-based DBIF models in all patients. The optimization-derived model significantly increased FDG K1 estimates by 101% and 27% as compared with traditional SBIF and population-based DBIF. K1 by the optimization-derived model was significantly associated with histopathologic grades of liver inflammation while the other two models did not provide a statistical significance. In conclusion, modeling of DBIF is critical for kinetic analysis of dynamic liver FDG-PET data in human studies. The optimization-derived DBIF model is more appropriate than SBIF and population-based DBIF for dynamic FDG-PET of liver inflammation. © 2018 Institute of Physics and Engineering in Medicine.

Combustion

NASA Technical Reports Server (NTRS)

Bulzan, Dan

2007-01-01

An overview of the emissions related research being conducted as part of the Fundamental Aeronautics Subsonics Fixed Wing Project is presented. The overview includes project metrics, milestones, and descriptions of major research areas. The overview also includes information on some of the emissions research being conducted under NASA Research Announcements. Objective: Development of comprehensive detailed and reduced kinetic mechanisms of jet fuels for chemically-reacting flow modeling. Scientific Challenges: 1) Developing experimental facilities capable of handling higher hydrocarbons and providing benchmark combustion data. 2) Determining and understanding ignition and combustion characteristics, such as laminar flame speeds, extinction stretch rates, and autoignition delays, of jet fuels and hydrocarbons relevant to jet surrogates. 3) Developing comprehensive kinetic models for jet fuels.

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

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

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

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

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

DOE PAGES

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

2015-04-23

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

Combining in silico evolution and nonlinear dimensionality reduction to redesign responses of signaling networks

NASA Astrophysics Data System (ADS)

Prescott, Aaron M.; Abel, Steven M.

2016-12-01

The rational design of network behavior is a central goal of synthetic biology. Here, we combine in silico evolution with nonlinear dimensionality reduction to redesign the responses of fixed-topology signaling networks and to characterize sets of kinetic parameters that underlie various input-output relations. We first consider the earliest part of the T cell receptor (TCR) signaling network and demonstrate that it can produce a variety of input-output relations (quantified as the level of TCR phosphorylation as a function of the characteristic TCR binding time). We utilize an evolutionary algorithm (EA) to identify sets of kinetic parameters that give rise to: (i) sigmoidal responses with the activation threshold varied over 6 orders of magnitude, (ii) a graded response, and (iii) an inverted response in which short TCR binding times lead to activation. We also consider a network with both positive and negative feedback and use the EA to evolve oscillatory responses with different periods in response to a change in input. For each targeted input-output relation, we conduct many independent runs of the EA and use nonlinear dimensionality reduction to embed the resulting data for each network in two dimensions. We then partition the results into groups and characterize constraints placed on the parameters by the different targeted response curves. Our approach provides a way (i) to guide the design of kinetic parameters of fixed-topology networks to generate novel input-output relations and (ii) to constrain ranges of biological parameters using experimental data. In the cases considered, the network topologies exhibit significant flexibility in generating alternative responses, with distinct patterns of kinetic rates emerging for different targeted responses.

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

Alvarez-Ramirez, J.; Aguilar, R.; Lopez-Isunza, F.

FCC processes involve complex interactive dynamics which are difficult to operate and control as well as poorly known reaction kinetics. This work concerns the synthesis of temperature controllers for FCC units. The problem is addressed first for the case where perfect knowledge of the reaction kinetics is assumed, leading to an input-output linearizing state feedback. However, in most industrial FCC units, perfect knowledge of reaction kinetics and composition measurements is not available. To address the problem of robustness against uncertainties in the reaction kinetics, an adaptive model-based nonlinear controller with simplified reaction models is presented. The adaptive strategy makes usemore » of estimates of uncertainties derived from calorimetric (energy) balances. The resulting controller is similar in form to standard input-output linearizing controllers and can be tuned analogously. Alternatively, the controller can be tuned using a single gain parameter and is computationally efficient. The performance of the closed-loop system and the controller design procedure are shown with simulations.« less

40 CFR 49.125 - Rule for limiting the emissions of particulate matter.

Code of Federal Regulations, 2011 CFR

2011-07-01

... pollution sources? (1) Particulate matter emissions from a combustion source stack (except for wood-fired..., British thermal unit (Btu), coal, combustion source, distillate fuel oil, emission, fuel, fuel oil, gaseous fuel, heat input, incinerator, marine vessel, mobile sources, motor vehicle, nonroad engine...

Development code for sensitivity and uncertainty analysis of input on the MCNPX for neutronic calculation in PWR core

NASA Astrophysics Data System (ADS)

Hartini, Entin; Andiwijayakusuma, Dinan

2014-09-01

This research was carried out on the development of code for uncertainty analysis is based on a statistical approach for assessing the uncertainty input parameters. In the butn-up calculation of fuel, uncertainty analysis performed for input parameters fuel density, coolant density and fuel temperature. This calculation is performed during irradiation using Monte Carlo N-Particle Transport. The Uncertainty method based on the probabilities density function. Development code is made in python script to do coupling with MCNPX for criticality and burn-up calculations. Simulation is done by modeling the geometry of PWR terrace, with MCNPX on the power 54 MW with fuel type UO2 pellets. The calculation is done by using the data library continuous energy cross-sections ENDF / B-VI. MCNPX requires nuclear data in ACE format. Development of interfaces for obtaining nuclear data in the form of ACE format of ENDF through special process NJOY calculation to temperature changes in a certain range.

Fuels Performance: Navigating the Intersection of Fuels and Combustion (Brochure)

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

Not Available

2014-12-01

Researchers at the National Renewable Energy Laboratory (NREL), the only national laboratory dedicated 100% to renewable energy and energy efficiency, recognize that engine and infrastructure compatibility can make or break the impact of even the most promising fuel. NREL and its industry partners navigate the intersection of fuel chemistry, ignition kinetics, combustion, and emissions, with innovative approaches to engines and fuels that meet drivers' expectations, while minimizing petroleum use and GHGs.

DESIGNING AN OPPORTUNITY FUEL WITH BIOMASS AND TIRE-DERIVED FUEL FOR COFIRING AT WILLOW ISLAND GENERATING STATION

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

K. Payette; D. Tillman

During the period January 1, 2001-March 31, 2001, Allegheny Energy Supply Co., LLC (Allegheny) finalized the engineering of the Willow Island cofiring project, completed the fuel characterizations for both the Willow Island and Albright Generating Station projects, and initiated construction of both projects. Allegheny and its contractor, Foster Wheeler, selected appropriate fuel blends and issued purchase orders for all processing and mechanical equipment to be installed at both sites. This report summarizes the activities associated with the Designer Opportunity Fuel program, and demonstrations at Willow Island and Albright Generating Stations. The third quarter of the project involved completing the detailedmore » designs for the Willow Island Designer Fuel project. It also included complete characterization of the coal and biomass fuels being burned, focusing upon the following characteristics: proximate and ultimate analysis; higher heating value; carbon 13 nuclear magnetic resonance testing for aromaticity, number of aromatic carbons per cluster, and the structural characteristics of oxygen in the fuel; drop tube reactor testing for high temperature devolatilization kinetics and generation of fuel chars; thermogravimetric analyses (TGA) for char oxidation kinetics; and related testing. The construction at both sites commenced during this quarter, and was largely completed at the Albright Generating Station site.« less

An Assessment of the Challenges Associated with Individual Battlefield Power: Addressing the Power Budget Burdens of the Warfighter and Squad

DTIC Science & Technology

2014-05-01

Fuel Cells —JP8 Fuel Cells Aerial ResupplyBATMAN Advanced Battery Technologies Conformal Battery Nett Warrior Carried C-IED N at ic k O E C...Advanced Solar Inductive Charging Kinetic Harvesting Fuel Cells JP8 Fuel Cells Aerial ResupplyBATMAN Advanced Battery Technologies Conformal...90 lbs. of some from of energy during the mission  Ideally, this would be some expendable fuel , perhaps for fuel cells  Otherwise it creates

Experimental Investigations Of The Influence Of Pressure On Critical Extinction Conditions Of Laminar Nonpremixed Flames Burning Condensed Hydrocarbon Fuels, Jet Fuels, And Surrogates

DTIC Science & Technology

2014-10-25

cycloalkanes, aromatics, and alkenes [3,23–26]. On average, the composition by volume is approximately 60% alkanes, 20% cycloalkanes, 18% aromatics, and 2... alkenes [26]. Efforts to develop chemical-kinetic models that accurately describe the combustion of these practical fuels are critical to the development... method also allows for measurements of fuel mass burning rates by recording the required fuel feed rate to maintain the fuel cup level under steady

BISON Fuel Performance Analysis of FeCrAl cladding with updated properties

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

Sweet, Ryan; George, Nathan M.; Terrani, Kurt A.

2016-08-30

In order to improve the accident tolerance of light water reactor (LWR) fuel, alternative cladding materials have been proposed to replace zirconium (Zr)-based alloys. Of these materials, there is a particular focus on iron-chromium-aluminum (FeCrAl) alloys due to much slower oxidation kinetics in high-temperature steam than Zr-alloys. This should decrease the energy release due to oxidation and allow the cladding to remain integral longer in the presence of high temperature steam, making accident mitigation more likely. As a continuation of the development for these alloys, suitability for normal operation must also be demonstrated. This research is focused on modeling themore » integral thermo-mechanical performance of FeCrAl-cladded fuel during normal reactor operation. Preliminary analysis has been performed to assess FeCrAl alloys (namely Alkrothal 720 and APMT) as a suitable fuel cladding replacement for Zr-alloys, using the MOOSE-based, finite-element fuel performance code BISON and the best available thermal-mechanical and irradiation-induced constitutive properties. These simulations identify the effects of the mechanical-stress and irradiation response of FeCrAl, and provide a comparison with Zr-alloys. In comparing these clad materials, fuel rods have been simulated for normal reactor operation and simple steady-state operation. Normal reactor operating conditions target the cladding performance over the rod lifetime (~4 cycles) for the highest-power rod in the highest-power fuel assembly under reactor power maneuvering. The power histories and axial temperature profiles input into BISON were generated from a neutronics study on full-core reactivity equivalence for FeCrAl using the 3D full core simulator NESTLE. Evolution of the FeCrAl cladding behavior over time is evaluated by using steady-state operating conditions such as a simple axial power profile, a constant cladding surface temperature, and a constant fuel power history. The fuel rod designs and operating conditions used are based off the Peach Bottom BWR and design consideration was given to minimize the neutronic penalty of the FeCrAl cladding by changing fuel enrichment and cladding thickness. As this study progressed, systematic parametric analysis of the fuel and cladding creep responses were also performed.« less

Colloidal Au and Au-alloy catalysts for direct borohydride fuel cells: Electrocatalysis and fuel cell performance

NASA Astrophysics Data System (ADS)

Atwan, Mohammed H.; Macdonald, Charles L. B.; Northwood, Derek O.; Gyenge, Elod L.

Supported colloidal Au and Au-alloys (Au-Pt and Au-Pd, 1:1 atomic ratio) on Vulcan XC-72 (with 20 wt% metal load) were prepared by the Bönneman method. The electrocatalytic activity of the colloidal metals with respect to borohydride electro-oxidation for fuel cell applications was investigated by voltammetry on static and rotating electrodes, chronoamperometry, chronopotentiometry and fuel cell experiments. The fundamental electrochemical techniques showed that alloying Au, a metal that leads to the maximum eight-electron oxidation of BH 4 -, with Pd or Pt, well-known catalysts of dehydrogenation reactions, improved the electrode kinetics of BH 4 - oxidation. Fuel cell experiments corroborated the kinetic studies. Using 5 mg cm -2 colloidal metal load on the anode, it was found that Au-Pt was the most active catalyst giving a cell voltage of 0.47 V at 100 mA cm -2 and 333 K, while under identical conditions the cell voltage using colloidal Au was 0.17 V.

Analysis of fluid fuel flow to the neutron kinetics on molten salt reactor FUJI-12

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

Aji, Indarta Kuncoro, E-mail: indartaaji@s.itb.ac.id; Waris, Abdul, E-mail: awaris@fi.itb.ac.id; Permana, Sidik

Molten Salt Reactor is a reactor are operating with molten salt fuel flowing. This condition interpret that the neutron kinetics of this reactor is affected by the flow rate of the fuel. This research analyze effect by the alteration velocity of the fuel by MSR type Fuji-12, with fuel composition LiF-BeF{sub 2}-ThF{sub 4}-{sup 233}UF{sub 4} respectively 71.78%-16%-11.86%-0.36%. Calculation process in this study is performed numerically by SOR and finite difference method use C programming language. Data of reactivity, neutron flux, and the macroscopic fission cross section for calculation process obtain from SRAC-CITATION (Standard thermal Reactor Analysis Code) and JENDL-4.0 datamore » library. SRAC system designed and developed by JAEA (Japan Atomic Energy Agency). This study aims to observe the effect of the velocity of fuel salt to the power generated from neutron precursors at fourth year of reactor operate (last critical condition) with number of multiplication effective; 1.0155.« less

Evaluating the performance and mapping of three fuel classification systems using Forest Inventory and Analysis surface fuel measurements

Treesearch

Robert E. Keane; Jason M. Herynk; Chris Toney; Shawn P. Urbanski; Duncan C. Lutes; Roger D. Ottmar

2013-01-01

Fuel Loading Models (FLMs) and Fuel Characteristic Classification System (FCCSs) fuelbeds are used throughout wildland fire science and management to simplify fuel inputs into fire behavior and effects models, but they have yet to be thoroughly evaluated with field data. In this study, we used a large dataset of Forest Inventory and Analysis (FIA) surface fuel...

Statistics of optimal information flow in ensembles of regulatory motifs

NASA Astrophysics Data System (ADS)

Crisanti, Andrea; De Martino, Andrea; Fiorentino, Jonathan

2018-02-01

Genetic regulatory circuits universally cope with different sources of noise that limit their ability to coordinate input and output signals. In many cases, optimal regulatory performance can be thought to correspond to configurations of variables and parameters that maximize the mutual information between inputs and outputs. Since the mid-2000s, such optima have been well characterized in several biologically relevant cases. Here we use methods of statistical field theory to calculate the statistics of the maximal mutual information (the "capacity") achievable by tuning the input variable only in an ensemble of regulatory motifs, such that a single controller regulates N targets. Assuming (i) sufficiently large N , (ii) quenched random kinetic parameters, and (iii) small noise affecting the input-output channels, we can accurately reproduce numerical simulations both for the mean capacity and for the whole distribution. Our results provide insight into the inherent variability in effectiveness occurring in regulatory systems with heterogeneous kinetic parameters.

Comparison of Homogeneous and Heterogeneous CFD Fuel Models for Phase I of the IAEA CRP on HTR Uncertainties Benchmark

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

Gerhard Strydom; Su-Jong Yoon

2014-04-01

Computational Fluid Dynamics (CFD) evaluation of homogeneous and heterogeneous fuel models was performed as part of the Phase I calculations of the International Atomic Energy Agency (IAEA) Coordinate Research Program (CRP) on High Temperature Reactor (HTR) Uncertainties in Modeling (UAM). This study was focused on the nominal localized stand-alone fuel thermal response, as defined in Ex. I-3 and I-4 of the HTR UAM. The aim of the stand-alone thermal unit-cell simulation is to isolate the effect of material and boundary input uncertainties on a very simplified problem, before propagation of these uncertainties are performed in subsequent coupled neutronics/thermal fluids phasesmore » on the benchmark. In many of the previous studies for high temperature gas cooled reactors, the volume-averaged homogeneous mixture model of a single fuel compact has been applied. In the homogeneous model, the Tristructural Isotropic (TRISO) fuel particles in the fuel compact were not modeled directly and an effective thermal conductivity was employed for the thermo-physical properties of the fuel compact. On the contrary, in the heterogeneous model, the uranium carbide (UCO), inner and outer pyrolytic carbon (IPyC/OPyC) and silicon carbide (SiC) layers of the TRISO fuel particles are explicitly modeled. The fuel compact is modeled as a heterogeneous mixture of TRISO fuel kernels embedded in H-451 matrix graphite. In this study, a steady-state and transient CFD simulations were performed with both homogeneous and heterogeneous models to compare the thermal characteristics. The nominal values of the input parameters are used for this CFD analysis. In a future study, the effects of input uncertainties in the material properties and boundary parameters will be investigated and reported.« less

Thermal Stability of Jet Fuels: Kinetics of Forming Deposit Precursors

NASA Technical Reports Server (NTRS)

Naegeli, David W.

1997-01-01

The focus of this study was on the autoxidation kinetics of deposit precursor formation in jet fuels. The objectives were: (1) to demonstrate that laser-induced fluorescence is a viable kinetic tool for measuring rates of deposit precursor formation in jet fuels; (2) to determine global rate expressions for the formation of thermal deposit precursors in jet fuels; and (3) to better understand the chemical mechanism of thermal stability. The fuels were isothermally stressed in small glass ampules in the 120 to 180 C range. Concentrations of deposit precursor, hydroperoxide and oxygen consumption were measured over time in the thermally stressed fuels. Deposit precursors were measured using laser-induced fluorescence (LIF), hydroperoxides using a spectrophotometric technique, and oxygen consumption by the pressure loss in the ampule. The expressions, I.P. = 1.278 x 10(exp -11)exp(28,517.9/RT) and R(sub dp) = 2.382 x 10(exp 17)exp(-34,369.2/RT) for the induction period, I.P. and rate of deposit precursor formation R(sub dp), were determined for Jet A fuel. The results of the study support a new theory of deposit formation in jet fuels, which suggest that acid catalyzed ionic reactions compete with free radical reactions to form deposit precursors. The results indicate that deposit precursors form only when aromatics are present in the fuel. Traces of sulfur reduce the rate of autoxidation but increase the yield of deposit precursor. Free radical chemistry is responsible for hydroperoxide formation and the oxidation of sulfur compounds to sulfonic acids. Phenols are then formed by the acid catalyzed decomposition of benzylic hydroperoxides, and deposit precursors are produced by the reaction of phenols with aldehydes, which forms a polymer similar to Bakelite. Deposit precursors appear to have a phenolic resin-like structure because the LIF spectra of the deposit precursors were similar to that of phenolic resin dissolved in TAM.

RNA signal amplifier circuit with integrated fluorescence output.

PubMed

Akter, Farhima; Yokobayashi, Yohei

2015-05-15

We designed an in vitro signal amplification circuit that takes a short RNA input that catalytically activates the Spinach RNA aptamer to produce a fluorescent output. The circuit consists of three RNA strands: an internally blocked Spinach aptamer, a fuel strand, and an input strand (catalyst), as well as the Spinach aptamer ligand 3,5-difluoro-4-hydroxylbenzylidene imidazolinone (DFHBI). The input strand initially displaces the internal inhibitory strand to activate the fluorescent aptamer while exposing a toehold to which the fuel strand can bind to further displace and recycle the input strand. Under a favorable condition, one input strand was able to activate up to five molecules of the internally blocked Spinach aptamer in 185 min at 30 °C. The simple RNA circuit reported here serves as a model for catalytic activation of arbitrary RNA effectors by chemical triggers.

77 FR 36273 - Public Meeting on Draft Permitting Guidance for Oil and Gas Hydraulic Fracturing Activities Using...

Federal Register 2010, 2011, 2012, 2013, 2014

2012-06-18

...The Environmental Protection Agency (EPA or agency) is announcing a public meeting to discuss draft permitting guidance the agency has developed on the use of diesel fuels in oil and gas hydraulic fracturing and to solicit input during the public comment period. The meeting is open to all interested parties. The agency requests input on the following technical aspects of the draft permitting guidance: Diesel fuels description; diesel fuels usage information; permit duration and well closure; area of review; information submitted with the permit application; and monitoring.

Neutronic safety parameters and transient analyses for Poland's MARIA research reactor.

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

Bretscher, M. M.; Hanan, N. A.; Matos, J. E.

1999-09-27

Reactor kinetic parameters, reactivity feedback coefficients, and control rod reactivity worths have been calculated for the MARIA Research Reactor (Swierk, Poland) for M6-type fuel assemblies with {sup 235}U enrichments of 80% and 19.7%. Kinetic parameters were evaluated for family-dependent effective delayed neutron fractions, decay constants, and prompt neutron lifetimes and neutron generation times. Reactivity feedback coefficients were determined for fuel Doppler coefficients, coolant (H{sub 2}O) void and temperature coefficients, and for in-core and ex-core beryllium temperature coefficients. Total and differential control rod worths and safety rod worths were calculated for each fuel type. These parameters were used to calculate genericmore » transients for fast and slow reactivity insertions with both HEU and LEU fuels. The analyses show that the HEU and LEU cores have very similar responses to these transients.« less

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

PubMed

Lashkari, A; Khalafi, H; Kazeminejad, H

2013-05-01

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

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

PubMed Central

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

2013-01-01

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

Factor analysis for delineation of organ structures, creation of in- and output functions, and standardization of multicenter kinetic modeling

NASA Astrophysics Data System (ADS)

Schiepers, Christiaan; Hoh, Carl K.; Dahlbom, Magnus; Wu, Hsiao-Ming; Phelps, Michael E.

1999-05-01

PET imaging can quantify metabolic processes in-vivo; this requires the measurement of an input function which is invasive and labor intensive. A non-invasive, semi-automated, image based method of input function generation would be efficient, patient friendly, and allow quantitative PET to be applied routinely. A fully automated procedure would be ideal for studies across institutions. Factor analysis (FA) was applied as processing tool for definition of temporally changing structures in the field of view. FA has been proposed earlier, but the perceived mathematical difficulty has prevented widespread use. FA was utilized to delineate structures and extract blood and tissue time-activity-curves (TACs). These TACs were used as input and output functions for tracer kinetic modeling, the results of which were compared with those from an input function obtained with serial blood sampling. Dynamic image data of myocardial perfusion studies with N-13 ammonia, O-15 water, or Rb-82, cancer studies with F-18 FDG, and skeletal studies with F-18 fluoride were evaluated. Correlation coefficients of kinetic parameters obtained with factor and plasma input functions were high. Linear regression usually furnished a slope near unity. Processing time was 7 min/patient on an UltraSPARC. Conclusion: FA can non-invasively generate input functions from image data eliminating the need for blood sampling. Output (tissue) functions can be simultaneously generated. The method is simple, requires no sophisticated operator interaction and has little inter-operator variability. FA is well suited for studies across institutions and standardized evaluations.

Assessing three fuel classification systems and their maps using Forest Inventory and Analysis (FIA) surface fuel measurements

Treesearch

Robert E. Keane; Jason M. Herynk; Chris Toney; Shawn P. Urbanski; Duncan C. Lutes; Roger D. Ottmar

2015-01-01

Fuel classifications are integral tools in fire management and planning because they are used as inputs to fire behavior and effects simulation models. Fuel Loading Models (FLMs) and Fuel Characteristic Classification System (FCCSs) fuelbeds are the most popular classifications used throughout wildland fire science and management, but they have yet to be thoroughly...

Kinetic quantitation of cerebral PET-FDG studies without concurrent blood sampling: statistical recovery of the arterial input function.

PubMed

O'Sullivan, F; Kirrane, J; Muzi, M; O'Sullivan, J N; Spence, A M; Mankoff, D A; Krohn, K A

2010-03-01

Kinetic quantitation of dynamic positron emission tomography (PET) studies via compartmental modeling usually requires the time-course of the radio-tracer concentration in the arterial blood as an arterial input function (AIF). For human and animal imaging applications, significant practical difficulties are associated with direct arterial sampling and as a result there is substantial interest in alternative methods that require no blood sampling at the time of the study. A fixed population template input function derived from prior experience with directly sampled arterial curves is one possibility. Image-based extraction, including requisite adjustment for spillover and recovery, is another approach. The present work considers a hybrid statistical approach based on a penalty formulation in which the information derived from a priori studies is combined in a Bayesian manner with information contained in the sampled image data in order to obtain an input function estimate. The absolute scaling of the input is achieved by an empirical calibration equation involving the injected dose together with the subject's weight, height and gender. The technique is illustrated in the context of (18)F -Fluorodeoxyglucose (FDG) PET studies in humans. A collection of 79 arterially sampled FDG blood curves are used as a basis for a priori characterization of input function variability, including scaling characteristics. Data from a series of 12 dynamic cerebral FDG PET studies in normal subjects are used to evaluate the performance of the penalty-based AIF estimation technique. The focus of evaluations is on quantitation of FDG kinetics over a set of 10 regional brain structures. As well as the new method, a fixed population template AIF and a direct AIF estimate based on segmentation are also considered. Kinetics analyses resulting from these three AIFs are compared with those resulting from radially sampled AIFs. The proposed penalty-based AIF extraction method is found to achieve significant improvements over the fixed template and the segmentation methods. As well as achieving acceptable kinetic parameter accuracy, the quality of fit of the region of interest (ROI) time-course data based on the extracted AIF, matches results based on arterially sampled AIFs. In comparison, significant deviation in the estimation of FDG flux and degradation in ROI data fit are found with the template and segmentation methods. The proposed AIF extraction method is recommended for practical use.

Blind identification of the kinetic parameters in three-compartment models

NASA Astrophysics Data System (ADS)

Riabkov, Dmitri Y.; Di Bella, Edward V. R.

2004-03-01

Quantified knowledge of tissue kinetic parameters in the regions of the brain and other organs can offer information useful in clinical and research applications. Dynamic medical imaging with injection of radioactive or paramagnetic tracer can be used for this measurement. The kinetics of some widely used tracers such as [18F]2-fluoro-2-deoxy-D-glucose can be described by a three-compartment physiological model. The kinetic parameters of the tissue can be estimated from dynamically acquired images. Feasibility of estimation by blind identification, which does not require knowledge of the blood input, is considered analytically and numerically in this work for the three-compartment type of tissue response. The non-uniqueness of the two-region case for blind identification of kinetic parameters in three-compartment model is shown; at least three regions are needed for the blind identification to be unique. Numerical results for the accuracy of these blind identification methods in different conditions were considered. Both a separable variables least-squares (SLS) approach and an eigenvector-based algorithm for multichannel blind deconvolution approach were used. The latter showed poor accuracy. Modifications for non-uniform time sampling were also developed. Also, another method which uses a model for the blood input was compared. Results for the macroparameter K, which reflects the metabolic rate of glucose usage, using three regions with noise showed comparable accuracy for the separable variables least squares method and for the input model-based method, and slightly worse accuracy for SLS with the non-uniform sampling modification.

Fuel Characteristic Classification System version 3.0: technical documentation

Treesearch

Susan J. Prichard; David V. Sandberg; Roger D. Ottmar; Ellen Eberhardt; Anne Andreu; Paige Eagle; Kjell Swedin

2013-01-01

The Fuel Characteristic Classification System (FCCS) is a software module that records wildland fuel characteristics and calculates potential fire behavior and hazard potentials based on input environmental variables. The FCCS 3.0 is housed within the Integrated Fuels Treatment Decision Support System (Joint Fire Science Program 2012). It can also be run from command...

An atmospheric pressure high-temperature laminar flow reactor for investigation of combustion and related gas phase reaction systems

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

Oßwald, Patrick; Köhler, Markus

A new high-temperature flow reactor experiment utilizing the powerful molecular beam mass spectrometry (MBMS) technique for detailed observation of gas phase kinetics in reacting flows is presented. The reactor design provides a consequent extension of the experimental portfolio of validation experiments for combustion reaction kinetics. Temperatures up to 1800 K are applicable by three individually controlled temperature zones with this atmospheric pressure flow reactor. Detailed speciation data are obtained using the sensitive MBMS technique, providing in situ access to almost all chemical species involved in the combustion process, including highly reactive species such as radicals. Strategies for quantifying the experimentalmore » data are presented alongside a careful analysis of the characterization of the experimental boundary conditions to enable precise numeric reproduction of the experimental results. The general capabilities of this new analytical tool for the investigation of reacting flows are demonstrated for a selected range of conditions, fuels, and applications. A detailed dataset for the well-known gaseous fuels, methane and ethylene, is provided and used to verify the experimental approach. Furthermore, application for liquid fuels and fuel components important for technical combustors like gas turbines and engines is demonstrated. Besides the detailed investigation of novel fuels and fuel components, the wide range of operation conditions gives access to extended combustion topics, such as super rich conditions at high temperature important for gasification processes, or the peroxy chemistry governing the low temperature oxidation regime. These demonstrations are accompanied by a first kinetic modeling approach, examining the opportunities for model validation purposes.« less

Ion kinetic effects on the ignition and burn of inertial confinement fusion targets: A multi-scale approach

NASA Astrophysics Data System (ADS)

Peigney, B. E.; Larroche, O.; Tikhonchuk, V.

2014-12-01

In this article, we study the hydrodynamics and burn of the thermonuclear fuel in inertial confinement fusion pellets at the ion kinetic level. The analysis is based on a two-velocity-scale Vlasov-Fokker-Planck kinetic model that is specially tailored to treat fusion products (suprathermal α-particles) in a self-consistent manner with the thermal bulk. The model assumes spherical symmetry in configuration space and axial symmetry in velocity space around the mean flow velocity. A typical hot-spot ignition design is considered. Compared with fluid simulations where a multi-group diffusion scheme is applied to model α transport, the full ion-kinetic approach reveals significant non-local effects on the transport of energetic α-particles. This has a direct impact on hydrodynamic spatial profiles during combustion: the hot spot reactivity is reduced, while the inner dense fuel layers are pre-heated by the escaping α-suprathermal particles, which are transported farther out of the hot spot. We show how the kinetic transport enhancement of fusion products leads to a significant reduction of the fusion yield.

Ion kinetic effects on the ignition and burn of inertial confinement fusion targets: A multi-scale approach

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

Peigney, B. E.; Larroche, O.; Tikhonchuk, V.

2014-12-15

In this article, we study the hydrodynamics and burn of the thermonuclear fuel in inertial confinement fusion pellets at the ion kinetic level. The analysis is based on a two-velocity-scale Vlasov-Fokker-Planck kinetic model that is specially tailored to treat fusion products (suprathermal α-particles) in a self-consistent manner with the thermal bulk. The model assumes spherical symmetry in configuration space and axial symmetry in velocity space around the mean flow velocity. A typical hot-spot ignition design is considered. Compared with fluid simulations where a multi-group diffusion scheme is applied to model α transport, the full ion-kinetic approach reveals significant non-local effectsmore » on the transport of energetic α-particles. This has a direct impact on hydrodynamic spatial profiles during combustion: the hot spot reactivity is reduced, while the inner dense fuel layers are pre-heated by the escaping α-suprathermal particles, which are transported farther out of the hot spot. We show how the kinetic transport enhancement of fusion products leads to a significant reduction of the fusion yield.« less

An experimental and modeling study investigating the ignition delay in a military diesel engine running hexadecane (cetane) fuel

DOE PAGES

Cowart, Jim S.; Fischer, Warren P.; Hamilton, Leonard J.; ...

2013-02-01

In an effort aimed at predicting the combustion behavior of a new fuel in a conventional diesel engine, cetane (n-hexadecane) fuel was used in a military engine across the entire speed–load operating range. The ignition delay was characterized for this fuel at each operating condition. A chemical ignition delay was also predicted across the speed–load range using a detailed chemical kinetic mechanism with a constant pressure reactor model. At each operating condition, the measured in-cylinder pressure and predicted temperature at the start of injection were applied to the detailed n-hexadecane kinetic mechanism, and the chemical ignition delay was predicted withoutmore » any kinetic mechanism calibration. The modeling results show that fuel–air parcels developed from the diesel spray with an equivalence ratio of 4 are the first to ignite. The chemical ignition delay results also showed decreasing igntion delays with increasing engine load and speed, just as the experimental data revealed. At lower engine speeds and loads, the kinetic modeling results show the characteristic two-stage negative temperature coefficient behavior of hydrocarbon fuels. However, at high engine speeds and loads, the reactions do not display negative temperature coefficient behavior, as the reactions proceed directly into high-temperature pathways due to higher temperatures and pressure at injection. A moderate difference between the total and chemical ignition delays was then characterized as a phyical delay period that scales inversely with engine speed. This physical delay time is representative of the diesel spray development time and is seen to become a minority fraction of the total igntion delay at higher engine speeds. In addition, the approach used in this study suggests that the ignition delay and thus start of combustion may be predicted with reasonable accuracy using kinetic modeling to determine the chemical igntion delay. Then, in conjunction with the physical delay time (experimental or modeling based), a new fuel’s acceptability in a conventional engine could be assessed by determining that the total ignition delay is not too short or too long.« less

KINETIC MODELING OF COUNTERFLOW DIFFUSION FLAMES OF BUTADIENE. (R828193)

EPA Science Inventory

A comprehensive, semi-detailed kinetic scheme was used to simulate the chemical structures of counterflow diffusion and fuel-rich premixed 1,3-butadiene flames, to better understand the formation of polycyclic aromatic hydrocarbons (PAH). The results showed that model predicti...

The Rothermel surface fire spread model and associated developments: A comprehensive explanation

Treesearch

Patricia L. Andrews

2018-01-01

The Rothermel surface fire spread model, with some adjustments by Frank A. Albini in 1976, has been used in fire and fuels management systems since 1972. It is generally used with other models including fireline intensity and flame length. Fuel models are often used to define fuel input parameters. Dynamic fuel models use equations for live fuel curing. Models have...

Approximate models for the ion-kinetic regime in inertial-confinement-fusion capsule implosions

DOE PAGES

Hoffman, Nelson M.; Zimmerman, George B.; Molvig, Kim; ...

2015-05-19

“Reduced” (i.e., simplified or approximate) ion-kinetic (RIK) models in radiation-hydrodynamic simulations permit a useful description of inertial-confinement-fusion (ICF) implosions where kinetic deviations from hydrodynamic behavior are important. For implosions in or near the kinetic regime (i.e., when ion mean free paths are comparable to the capsule size), simulations using a RIK model give a detailed picture of the time- and space-dependent structure of imploding capsules, allow an assessment of the relative importance of various kinetic processes during the implosion, enable explanations of past and current observations, and permit predictions of the results of future experiments. The RIK simulation method describedmore » here uses moment-based reduced kinetic models for transport of mass, momentum, and energy by long-mean-free-path ions, a model for the decrease of fusion reactivity owing to the associated modification of the ion distribution function, and a model of hydrodynamic turbulent mixing. Transport models are based on local gradient-diffusion approximations for the transport of moments of the ion distribution functions, with coefficients to impose flux limiting or account for transport modification. After calibration against a reference set of ICF implosions spanning the hydrodynamic-to-kinetic transition, the method has useful, quantifiable predictive ability over a broad range of capsule parameter space. Calibrated RIK simulations show that an important contributor to ion species separation in ICF capsule implosions is the preferential flux of longer-mean-free-path species out of the fuel and into the shell, leaving the fuel relatively enriched in species with shorter mean free paths. Also, the transport of ion thermal energy is enhanced in the kinetic regime, causing the fuel region to have a more uniform, lower ion temperature, extending over a larger volume, than implied by clean simulations. Furthermore, we expect that the success of our simple approach will motivate continued theoretical research into the development of first-principles-based, comprehensive, self-consistent, yet useable models of kinetic multispecies ion behavior in ICF plasmas.« less

Sustainable agricultural practices: energy inputs and outputs, pesticide, fertilizer and greenhouse gas management.

PubMed

Wang, Yue-Wen

2009-01-01

The food security issue was addressed by the development of "modern agriculture" in the last century. But food safety issues and environment degradation were the consequences suffered as a result. Climate change has been recognized as the result of release of stored energy in fossil fuel into the atmosphere. Homogeneous crop varieties, machinery, pesticides and fertilizers are the foundation of uniform commodities in modern agriculture. Fossil fuels are used to manufacture fertilizers and pesticides as well as the energy source for agricultural machinery, thus characterizes modern agriculture. Bio-fuel production and the possibility of the agriculture system as a form of energy input are discussed.

WE-FG-206-06: Dual-Input Tracer Kinetic Modeling and Its Analog Implementation for Dynamic Contrast-Enhanced (DCE-) MRI of Malignant Mesothelioma (MPM)

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

Lee, S; Rimner, A; Hayes, S

Purpose: To use dual-input tracer kinetic modeling of the lung for mapping spatial heterogeneity of various kinetic parameters in malignant MPM Methods: Six MPM patients received DCE-MRI as part of their radiation therapy simulation scan. 5 patients had the epitheloid subtype of MPM, while one was biphasic. A 3D fast-field echo sequence with TR/TE/Flip angle of 3.62ms/1.69ms/15° was used for DCE-MRI acquisition. The scan was collected for 5 minutes with a temporal resolution of 5-9 seconds depending on the spatial extent of the tumor. A principal component analysis-based groupwise deformable registration was used to co-register all the DCE-MRI series formore » motion compensation. All the images were analyzed using five different dual-input tracer kinetic models implemented in analog continuous-time formalism: the Tofts-Kety (TK), extended TK (ETK), two compartment exchange (2CX), adiabatic approximation to the tissue homogeneity (AATH), and distributed parameter (DP) models. The following parameters were computed for each model: total blood flow (BF), pulmonary flow fraction (γ), pulmonary blood flow (BF-pa), systemic blood flow (BF-a), blood volume (BV), mean transit time (MTT), permeability-surface area product (PS), fractional interstitial volume (vi), extraction fraction (E), volume transfer constant (Ktrans) and efflux rate constant (kep). Results: Although the majority of patients had epitheloid histologies, kinetic parameter values varied across different models. One patient showed a higher total BF value in all models among the epitheloid histologies, although the γ value was varying among these different models. In one tumor with a large area of necrosis, the TK and ETK models showed higher E, Ktrans, and kep values and lower interstitial volume as compared to AATH and DP and 2CX models. Kinetic parameters such as BF-pa, BF-a, PS, Ktrans values were higher in surviving group compared to non-surviving group across most models. Conclusion: Dual-input tracer kinetic modeling is feasible in determining micro-vascular characteristics of MPM. This project was supported from Cycle for Survival and MSK Imaging and radiation science (IMRAS) grants.« less

High-Pressure Turbulent Flame Speeds and Chemical Kinetics of Syngas Blends with and without Impurities

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

Petersen, Eric; Mathieu, Olivier; Morones, Anibal

This Final Report documents the entire four years of the project, from October 1, 2013 through September 30, 2017. This project was concerned with the chemical kinetics of fuel blends with high-hydrogen content in the presence of impurities. Emphasis was also on the design and construction of a new, high-pressure turbulent flame speed facility and the use of ignition delay times and flame speeds to elucidate the diluent and impurity effects on the fuel chemistry at gas turbine engine conditions and to also validate the chemical kinetics models. The project was divided into five primary tasks: 1) Project Management andmore » Program Planning; 2) Turbulent Flame Speed Measurements at Atmospheric Pressure; 3) Experiments and Kinetics of Syngas Blends with Impurities; 4) Design and Construction of a High-Pressure Turbulent Flame Speed Facility; and 5) High-Pressure Turbulent Flame Speed Measurements. Details on the execution and results of each of these tasks are provided in the main report.« less

Emission Measurements of Ultracell XX25 Reformed Methanol Fuel Cell System

DTIC Science & Technology

2008-06-01

combination of electrochemical devices such as fuel cell and battery. Polymer electrolyte membrane fuel cells ( PEMFC ) using hydrogen or liquid...communications and computers, sensors and night vision capabilities. High temperature PEMFC offers some advantages such as enhanced electrode kinetics and better...tolerance of carbon monoxide that will poison the conventional PEMFC . Ultracell Corporation, Livermore, California has developed a first

Development of a Laminar Flame Test Facility for Bio-Diesel Characterization

NASA Astrophysics Data System (ADS)

Tan, Giam

2009-11-01

The relevance of applying testing standards established for diesel fuels to evaluate bio-diesel fuels motivates the design and fabrication of a vertical combustion chamber to be able to measure flame speeds of the varying strains of bio-diesel fuels and to attain more detailed kinetics information for biodiesel fuel. Extensive research is ongoing to understand the impact of fundamental combustion properties such as ignition characteristics, laminar flame speed, strain sensitivity and extinction strain rates on emission and stability characteristics of the combustor. It is envisioned that further flame studies will provide key kinetics validation data for biodiesel-like molecules -- the current test rig was developed with provisions for optical access and for future spectroscopic measurements. The current work focuses on laminar flame speeds since this important parameter contains fundamental information regarding reactivity, diffusivity, and exothermicity of the fuel mixture. It has a significant impact upon the propensity of a flame to flashback and blowoff and also serves as a key scaling parameter for other important combustion characteristics, such as the turbulent flame structure, turbulent flame speed and flame's spatial distribution etc. The flame experiments are challenging as the tested bio-fuel must be uniformly atomized and uniformly dispersed.

40 CFR 60.40b - Applicability and delegation of authority.

Code of Federal Regulations, 2011 CFR

2011-07-01

... applicability requirements under subpart D (Standards of performance for fossil-fuel-fired steam generators... meeting the applicability requirements under subpart D (Standards of performance for fossil-fuel-fired...) heat input of fossil fuel. If the heat recovery steam generator is subject to this subpart, only...

40 CFR 60.40b - Applicability and delegation of authority.

Code of Federal Regulations, 2010 CFR

2010-07-01

... applicability requirements under subpart D (Standards of performance for fossil-fuel-fired steam generators... meeting the applicability requirements under subpart D (Standards of performance for fossil-fuel-fired...) heat input of fossil fuel. If the heat recovery steam generator is subject to this subpart, only...

Modeling moisture content of fine dead wildland fuels: Input to the BEHAVE fire prediction system

Treesearch

Richard C. Rothermel; Ralph A. Wilson; Glen A. Morris; Stephen S. Sackett

1986-01-01

Describes a model for predicting moisture content of fine fuels for use with the BEHAVE fire behavior and fuel modeling system. The model is intended to meet the need for more accurate predictions of fine fuel moisture, particularly in northern conifer stands and on days following rain. The model is based on the Canadian Fine Fuel Moisture Code (FFMC), modified to...

Cold-start characteristics of polymer electrolyte fuel cells

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

Mishler, Jeff; Mukundan, Rangachary; Wang, Yun

2010-01-01

In this paper, we investigate the electrochemical reaction kinetics, species transport, and solid water dynamics in a polymer electrolyte fuel cell (PEFC) during cold start. A simplitied analysis is developed to enable the evaluation of the impact of ice volume fraction on cell performance during coldstart. Supporting neutron imaging data are also provided to reveal the real-time water evolution. Temperature-dependent voltage changes due to the reaction kinetics and ohmic loss are also analyzed based on the ionic conductivity of the membrane at subfreezing temperature. The analysis is valuable for the fundamental study of PEFC cold-start.

Understanding Yield Anomalies in ICF Implosions via Fully Kinetic Simulations

NASA Astrophysics Data System (ADS)

Taitano, William

2017-10-01

In the quest towards ICF ignition, plasma kinetic effects are among prime candidates for explaining some significant discrepancies between experimental observations and rad-hydro simulations. To assess their importance, high-fidelity fully kinetic simulations of ICF capsule implosions are needed. Owing to the extremely multi-scale nature of the problem, kinetic codes have to overcome nontrivial numerical and algorithmic challenges, and very few options are currently available. Here, we present resolutions of some long-standing yield discrepancy conundrums using a novel, LANL-developed, 1D-2V Vlasov-Fokker-Planck code iFP. iFP possesses an unprecedented fidelity and features fully implicit time-stepping, exact mass, momentum, and energy conservation, and optimal grid adaptation in phase space, all of which are critically important for ensuring long-time numerical accuracy of the implosion simulations. Specifically, we concentrate on several anomalous yield degradation instances observed in Omega campaigns, with the so-called ``Rygg effect'', or an anomalous yield scaling with the fuel composition, being a prime example. Understanding the physical mechanisms responsible for such degradations in non-ignition-grade Omega experiments is of great interest, as such experiments are often used for platform and diagnostic development, which are then used in ignition-grade experiments on NIF. In the case of Rygg's experiments, effects of a kinetic stratification of fuel ions on the yield have been previously proposed as the anomaly explanation, studied with a kinetic code FPION, and found unimportant. We have revisited this issue with iFP and obtained excellent yield-over-clean agreement with the original Rygg results, and several subsequent experiments. This validates iFP and confirms that the kinetic fuel stratification is indeed at the root of the observed yield degradation. This work was sponsored by the Metropolis Postdoctoral Fellowship, LDRD office, Thermonuclear Burn Initiative of ASC, and the LANL Institutional Computing. This work was performed under the NNSA of the USDOE at LANL under contract DE-AC52-06NA25396.

Dynamics of heat-pipe reactors

NASA Technical Reports Server (NTRS)

Niederauer, G. F.

1971-01-01

A split-core heat pipe reactor, fueled with either U(233)C or U(235)C in a tungsten cermet and cooled by 7-Li-W heat pipes, was examined for the effects of the heat pipes on reactor while trying to safely absorb large reactivity inputs through inherent shutdown mechanisms. Limits on ramp reactivity inputs due to fuel melting temperature and heat pipe wall heat flux were mapped for the reactor in both startup and at-power operating modes.

Laboratory Evaluation of Novel Particulate Control Concepts for Jet Engine Test Cells.

DTIC Science & Technology

1983-12-01

HHV = Fuel higher heating value, btu/lb. tH = Heat of reaction, btu/Ib. KE = Kinetic energy, btu/hr. LHV = Lower heating value, btu/lb. M = Mass flow...the fuel bond energy must be the lower heating value ( LHV = AH of combustion with water as a vapor product). Therefore, the HHV must be corrected by... fuel . .- 7 This component is negligible for jet engines operated on uncontaminated turbine fuels . C. ALTERNATIVES AVAILABLE Several alternatives have

On direct internal methane steam reforming kinetics in operating solid oxide fuel cells with nickel-ceria anodes

NASA Astrophysics Data System (ADS)

Thallam Thattai, A.; van Biert, L.; Aravind, P. V.

2017-12-01

Major operating challenges remain to safely operate methane fuelled solid oxide fuel cells due to undesirable temperature gradients across the porous anode and carbon deposition. This article presents an experimental study on methane steam reforming (MSR) global kinetics for single operating SOFCs with Ni-GDC (gadolinium doped ceria) anodes for low steam to carbon (S/C) ratios and moderate current densities. The study points out the hitherto insufficient research on MSR global and intrinsic kinetics for operating SOFCs with complete Ni-ceria anodes. Further, it emphasizes the need to develop readily applicable global kinetic models as a subsequent step from previously reported state-of-art and complex intrinsic models. Two rate expressions of the Power law (PL) and Langmuir-Hinshelwood (LH) type have been compared and based on the analysis, limitations of using previously proposed rate expressions for Ni catalytic beds to study MSR kinetics for complete cermet anodes have been identified. Firstly, it has been shown that methane reforming on metallic (Ni) current collectors may not be always negligible, contrary to literature reports. Both PL and LH kinetic models predict significantly different local MSR reaction rate and species partial pressure distributions along the normalized reactor length, indicating a strong need for further experimental verifications.

Alternative Aviation Fuels: Overview of Challenges, Opportunities, and Next Steps

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

None, None

The Alternative Aviation Fuels: Overview of Challenges, Opportunities, and Next Steps report, published by the U.S. Department of Energy’s Bioenergy Technologies Office (BETO) provides an overview of the current state of alternative aviation fuels, based upon findings from recent peer-reviewed studies, scientific working groups, and BETO stakeholder input provided during the Alternative Aviation Fuel Workshop.

40 CFR 63.7550 - What reports must I submit and when?

Code of Federal Regulations, 2012 CFR

2012-07-01

... applicable. (6) A signed statement indicating that you burned no new types of fuel. Or, if you did burn a new type of fuel, you must submit the calculation of chlorine input, using Equation 5 of § 63.7530, that... demonstrate compliance through fuel analysis). If you burned a new type of fuel, you must submit the...

Using field data to assess model predictions of surface and ground fuel consumption by wildfire in coniferous forests of California

NASA Astrophysics Data System (ADS)

Lydersen, Jamie M.; Collins, Brandon M.; Ewell, Carol M.; Reiner, Alicia L.; Fites, Jo Ann; Dow, Christopher B.; Gonzalez, Patrick; Saah, David S.; Battles, John J.

2014-03-01

Inventories of greenhouse gas (GHG) emissions from wildfire provide essential information to the state of California, USA, and other governments that have enacted emission reductions. Wildfires can release a substantial amount of GHGs and other compounds to the atmosphere, so recent increases in fire activity may be increasing GHG emissions. Quantifying wildfire emissions however can be difficult due to inherent variability in fuel loads and consumption and a lack of field data of fuel consumption by wildfire. We compare a unique set of fuel data collected immediately before and after six wildfires in coniferous forests of California to fuel consumption predictions of the first-order fire effects model (FOFEM), based on two different available fuel characterizations. We found strong regional differences in the performance of different fuel characterizations, with FOFEM overestimating the fuel consumption to a greater extent in the Klamath Mountains than in the Sierra Nevada. Inaccurate fuel load inputs caused the largest differences between predicted and observed fuel consumption. Fuel classifications tended to overestimate duff load and underestimate litter load, leading to differences in predicted emissions for some pollutants. When considering total ground and surface fuels, modeled consumption was fairly accurate on average, although the range of error in estimates of plot level consumption was very large. These results highlight the importance of fuel load input to the accuracy of modeled fuel consumption and GHG emissions from wildfires in coniferous forests.

Making Enzyme Kinetics Dynamic via Simulation Software

ERIC Educational Resources Information Center

Potratz, Jeffrey P.

2017-01-01

An interactive classroom demonstration that enhances students' knowledge of steady-state and Michaelis-Menten enzyme kinetics is described. The instructor uses a free version of professional-quality KinTek Explorer simulation software and student input to construct dynamic versions of three static hallmark images commonly used to introduce enzyme…

Numerical investigation of spray ignition of a multi-component fuel surrogate

NASA Astrophysics Data System (ADS)

Backer, Lara; Narayanaswamy, Krithika; Pepiot, Perrine

2014-11-01

Simulating turbulent spray ignition, an important process in engine combustion, is challenging, since it combines the complexity of multi-scale, multiphase turbulent flow modeling with the need for an accurate description of chemical kinetics. In this work, we use direct numerical simulation to investigate the role of the evaporation model on the ignition characteristics of a multi-component fuel surrogate, injected as droplets in a turbulent environment. The fuel is represented as a mixture of several components, each one being representative of a different chemical class. A reduced kinetic scheme for the mixture is extracted from a well-validated detailed chemical mechanism, and integrated into the multiphase turbulent reactive flow solver NGA. Comparisons are made between a single-component evaporation model, in which the evaporating gas has the same composition as the liquid droplet, and a multi-component model, where component segregation does occur. In particular, the corresponding production of radical species, which are characteristic of the ignition of individual fuel components, is thoroughly analyzed.

Investigation of ion kinetic effects in direct-drive exploding-pusher implosions at the NIF

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

Rosenberg, M. J., E-mail: mrosenbe@mit.edu; Zylstra, A. B.; Séguin, F. H.

Measurements of yield, ion temperature, areal density (ρR), shell convergence, and bang time have been obtained in shock-driven, D{sub 2} and D{sup 3}He gas-filled “exploding-pusher” inertial confinement fusion (ICF) implosions at the National Ignition Facility to assess the impact of ion kinetic effects. These measurements probed the shock convergence phase of ICF implosions, a critical stage in hot-spot ignition experiments. The data complement previous studies of kinetic effects in shock-driven implosions. Ion temperature and fuel ρR inferred from fusion-product spectroscopy are used to estimate the ion-ion mean free path in the gas. A trend of decreasing yields relative to themore » predictions of 2D DRACO hydrodynamics simulations with increasing Knudsen number (the ratio of ion-ion mean free path to minimum shell radius) suggests that ion kinetic effects are increasingly impacting the hot fuel region, in general agreement with previous results. The long mean free path conditions giving rise to ion kinetic effects in the gas are often prevalent during the shock phase of both exploding pushers and ablatively driven implosions, including ignition-relevant implosions.« less

Kinetic Evaluation of Lipid Oils Conversion to Biofuel Using Layered Double Hydroxide Doped with Triazabicyclodece Catalyst

NASA Astrophysics Data System (ADS)

Nato Lopez, Frank D.

Worldwide, there is an ever increasing need for sustainable, renewable fuels that will accommodate the rapidly increasing energy demand and provide independence from fossil fuels. The search for a sustainable alternative to petroleum based fuels has been a great challenge to the scientific community; therefore, great efforts are being made to overcome the fossil fuels dependence by exploring the prominent field of biofuels (bioethanol and biodiesel). Traditional biodiesel is produced from feedstocks such as vegetable oils and animal fats by converting the triglycerides with methanol in the presence of a homogeneous catalyst to produce fatty acid methyl esters (FAMEs). However, drawbacks of this process are the undesired glycerol byproduct and post reaction processing, including separation from reaction mixture, that results in high costs factors. In the present work, the reaction kinetics of a glycerol-free biodiesel method is studied. This method consists of the transesterification of a vegetable oil (i.e. canola oil) using dimethyl carbonate (DMC) as an alternative methylating agent in presence of layered double hydroxides doped with triazabicyclodecene catalyst (a basic organocatalyst). Furthermore, is theorized that this heterogeneous catalyst (TBD/LDH) simultaneously converts both FFAs and triglycerides due to acid sites formed by Al3+ active sites of the LDH structure. Additionally, the versatility of the Raman in situ technique was used as quantitative analysis tool to monitor the reaction kinetics and collect real time data.

The hydrolysis of geminal ethers: a kinetic appraisal of orthoesters and ketals.

PubMed

Repetto, Sonia L; Costello, James F; Butts, Craig P; Lam, Joseph K W; Ratcliffe, Norman M

2016-01-01

A novel approach to protecting jet fuel against the effects of water contamination is predicated upon the coupling of the rapid hydrolysis reactions of lipophilic cyclic geminal ethers, with the concomitant production of a hydrophilic acyclic hydroxyester with de-icing properties (Fuel Dehydrating Icing Inhibitors - FDII). To this end, a kinetic appraisal of the hydrolysis reactions of representative geminal ethers was undertaken using a convenient surrogate for the fuel-water interface (D2O/CD3CN 1:4). We present here a library of acyclic and five/six-membered cyclic geminal ethers arranged according to their hydroxonium catalytic coefficients for hydrolysis, providing for the first time a framework for the development of FDII. A combination of (1)H NMR, labelling and computational studies was used to assess the effects that may govern the observed relative rates of hydrolyses.

Assessment of the Potential Impact of Combustion Research on Internal Combustion Engine Emission and Fuel Consumption

DOT National Transportation Integrated Search

1979-01-01

A review of the present level of understanding of the basic thermodynamic, fluid dynamic, and chemical kinetic processes which affect the fuel economy and levels of pollutant exhaust products of Diesel, Stratified Charge, and Spark Ignition engines i...

KINETICS OF ETHANOL BIODEGRADATION UNDER METHANOGENIC CONDITIONS IN GASOLINE SPILLS

EPA Science Inventory

Ethanol is commonly used as a fuel oxygenate. A concern has been raised that biodegradation of ethanol from a spill of gasoline may inhibit the natural biodegradation of fuel hydrocarbons, including benzene. Ethanol is miscible in water, and ethanol is readily metabolized by mi...

EXFILE: A program for compiling irradiation data on UN and UC fuel pins

NASA Technical Reports Server (NTRS)

Mayer, J. T.; Smith, R. L.; Weinstein, M. B.; Davison, H. W.

1973-01-01

A FORTRAN-4 computer program for handling fuel pin data is described. Its main features include standardized output, easy access for data manipulation, and tabulation of important material property data. An additional feature allows simplified preparation of input decks for a fuel swelling computer code (CYGRO-2). Data from over 300 high temperature nitride and carbide based fuel pin irradiations are listed.

Diffusion of oxygen interstitials in UO2+x using kinetic Monte Carlo simulations: Role of O/M ratio and sensitivity analysis

NASA Astrophysics Data System (ADS)

Behera, Rakesh K.; Watanabe, Taku; Andersson, David A.; Uberuaga, Blas P.; Deo, Chaitanya S.

2016-04-01

Oxygen interstitials in UO2+x significantly affect the thermophysical properties and microstructural evolution of the oxide nuclear fuel. In hyperstoichiometric Urania (UO2+x), these oxygen interstitials form different types of defect clusters, which have different migration behavior. In this study we have used kinetic Monte Carlo (kMC) to evaluate diffusivities of oxygen interstitials accounting for mono- and di-interstitial clusters. Our results indicate that the predicted diffusivities increase significantly at higher non-stoichiometry (x > 0.01) for di-interstitial clusters compared to a mono-interstitial only model. The diffusivities calculated at higher temperatures compare better with experimental values than at lower temperatures (< 973 K). We have discussed the resulting activation energies achieved for diffusion with all the mono- and di-interstitial models. We have carefully performed sensitivity analysis to estimate the effect of input di-interstitial binding energies on the predicted diffusivities and activation energies. While this article only discusses mono- and di-interstitials in evaluating oxygen diffusion response in UO2+x, future improvements to the model will primarily focus on including energetic definitions of larger stable interstitial clusters reported in the literature. The addition of larger clusters to the kMC model is expected to improve the comparison of oxygen transport in UO2+x with experiment.

Evaluation of pulsed streamer corona experiments to determine the O* radical yield

NASA Astrophysics Data System (ADS)

van Heesch, E. J. M.; Winands, G. J. J.; Pemen, A. J. M.

2008-12-01

The production of O* radicals in air by a pulsed streamer plasma is studied by integration of a large set of precise experimental data and the chemical kinetics of ozone production. The measured data comprise ozone production, plasma energy, streamer volume, streamer length, streamer velocity, humidity and gas-flow rate. Instead of entering input parameters into a kinetic model to calculate the end products the opposite strategy is followed. Since the amount of end-products (ozone) is known from the measurements the model had to be applied in the reverse direction to determine the input parameters, i.e. the O* radical concentration.

40 CFR 60.40 - Applicability and designation of affected facility.

Code of Federal Regulations, 2010 CFR

2010-07-01

... for Fossil-Fuel-Fired Steam Generators for Which Construction Is Commenced After August 17, 1971 § 60... provisions of this subpart apply are: (1) Each fossil-fuel-fired steam generating unit of more than 73 megawatts (MW) heat input rate (250 million British thermal units per hour (MMBtu/hr)). (2) Each fossil-fuel...

40 CFR 60.40 - Applicability and designation of affected facility.

Code of Federal Regulations, 2011 CFR

2011-07-01

... for Fossil-Fuel-Fired Steam Generators for Which Construction Is Commenced After August 17, 1971 § 60... provisions of this subpart apply are: (1) Each fossil-fuel-fired steam generating unit of more than 73 megawatts (MW) heat input rate (250 million British thermal units per hour (MMBtu/hr)). (2) Each fossil-fuel...

40 CFR 63.7555 - What records must I keep?

Code of Federal Regulations, 2011 CFR

2011-07-01

... hydrogen chloride emission rates. You can use the results from one fuel analysis for multiple boilers and... fuel input, or hydrogen chloride emission rate, for each boiler and process heater. (5) A copy of all... submitted, according to the requirements in § 63.10(b)(2)(xiv). (2) Records of performance tests, fuel...

40 CFR 600.113-93 - Fuel economy calculations.

Code of Federal Regulations, 2011 CFR

2011-07-01

... calculations of the weighted fuel economy values require input of the weighted grams/mile values for total... this section. A sample appears in appendix II to this part. (a) Calculate the weighted grams/mile... the grams/mile values for the highway fuel economy test for HC, CO and CO2, and where applicable CH3...

Alternative aviation jet fuel sustainability evaluation report - task 3 : sustainability criteria and rating systems for the use in aircraft alternative fuel supply chain

DOT National Transportation Integrated Search

2013-03-31

This report identifies criteria that can be used to evaluate the sustainability of biofuels introduced into the aviation fuel supply chain. It describes the inputs, criteria and outputs that can be used in a sustainability rating system. It identifie...

40 CFR 63.7525 - What are my monitoring, installation, operation, and maintenance requirements?

Code of Federal Regulations, 2013 CFR

2013-07-01

... fossil fuel subcategory or the unit designed to burn heavy liquid subcategory and has an average annual heat input rate greater than 250 MMBtu per hour from solid fossil fuel and/or heavy liquid, and you... Major Sources: Industrial, Commercial, and Institutional Boilers and Process Heaters Testing, Fuel...

40 CFR 63.7525 - What are my monitoring, installation, operation, and maintenance requirements?

Code of Federal Regulations, 2014 CFR

2014-07-01

... fossil fuel subcategory or the unit designed to burn heavy liquid subcategory and has an average annual heat input rate greater than 250 MMBtu per hour from solid fossil fuel and/or heavy liquid, and you... Major Sources: Industrial, Commercial, and Institutional Boilers and Process Heaters Testing, Fuel...

77 FR 21420 - Airworthiness Directives; Cessna Aircraft Company Airplanes

Federal Register 2010, 2011, 2012, 2013, 2014

2012-04-10

.... ACTION: Final rule. SUMMARY: We are adopting a new airworthiness directive (AD) for certain Cessna... fuel control card, due to the cross-feed inputs on the left- and right-hand fuel control cards being connected together and causing an imbalance of fuel between the left and right wing tanks. This AD requires...

Recent advances in parametric neuroreceptor mapping with dynamic PET: basic concepts and graphical analyses.

PubMed

Seo, Seongho; Kim, Su Jin; Lee, Dong Soo; Lee, Jae Sung

2014-10-01

Tracer kinetic modeling in dynamic positron emission tomography (PET) has been widely used to investigate the characteristic distribution patterns or dysfunctions of neuroreceptors in brain diseases. Its practical goal has progressed from regional data quantification to parametric mapping that produces images of kinetic-model parameters by fully exploiting the spatiotemporal information in dynamic PET data. Graphical analysis (GA) is a major parametric mapping technique that is independent on any compartmental model configuration, robust to noise, and computationally efficient. In this paper, we provide an overview of recent advances in the parametric mapping of neuroreceptor binding based on GA methods. The associated basic concepts in tracer kinetic modeling are presented, including commonly-used compartment models and major parameters of interest. Technical details of GA approaches for reversible and irreversible radioligands are described, considering both plasma input and reference tissue input models. Their statistical properties are discussed in view of parametric imaging.

Comparison greenhouse gas (GHG) emissions and global warming potential (GWP) effect of energy use in different wheat agroecosystems in Iran.

PubMed

Yousefi, Mohammad; Mahdavi Damghani, Abdolmajid; Khoramivafa, Mahmud

2016-04-01

The aims of this study were to determine energy requirement and global warming potential (GWP) in low and high input wheat production systems in western of Iran. For this purpose, data were collected from 120 wheat farms applying questionnaires via face-to-face interviews. Results showed that total energy input and output were 60,000 and 180,000 MJ ha(-1) in high input systems and 14,000 and 56,000 MJ ha(-1) in low input wheat production systems, respectively. The highest share of total input energy in high input systems recorded for electricity power, N fertilizer, and diesel fuel with 36, 18, and 13 %, respectively, while the highest share of input energy in low input systems observed for N fertilizer, diesel fuel, and seed with 32, 31, and 27 %. Energy use efficiency in high input systems (3.03) was lower than of low input systems (3.94). Total CO2, N2O, and CH4 emissions in high input systems were 1981.25, 31.18, and 1.87 kg ha(-1), respectively. These amounts were 699.88, 0.02, and 0.96 kg ha(-1) in low input systems. In high input wheat production systems, total GWP was 11686.63 kg CO2eq ha(-1) wheat. This amount was 725.89 kg CO2eq ha(-1) in low input systems. The results show that 1 ha of high input system will produce greenhouse effect 17 times of low input systems. So, high input production systems need to have an efficient and sustainable management for reducing environmental crises such as change climate.

Meeting the challenge of food and energy security.

PubMed

Karp, Angela; Richter, Goetz M

2011-06-01

Growing crops for bioenergy or biofuels is increasingly viewed as conflicting with food production. However, energy use continues to rise and food production requires fuel inputs, which have increased with intensification. Focussing on the question of food or fuel is thus not helpful. The bigger, more pertinent, challenge is how the increasing demands for food and energy can be met in the future, particularly when water and land availability will be limited. Energy crop production systems differ greatly in environmental impact. The use of high-input food crops for liquid transport fuels (first-generation biofuels) needs to be phased out and replaced by the use of crop residues and low-input perennial crops (second/advanced-generation biofuels) with multiple environmental benefits. More research effort is needed to improve yields of biomass crops grown on lower grade land, and maximum value should be extracted through the exploitation of co-products and integrated biorefinery systems. Policy must continually emphasize the changes needed and tie incentives to improved greenhous gas reduction and environmental performance of biofuels.

Development code for sensitivity and uncertainty analysis of input on the MCNPX for neutronic calculation in PWR core

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

Hartini, Entin, E-mail: entin@batan.go.id; Andiwijayakusuma, Dinan, E-mail: entin@batan.go.id

2014-09-30

This research was carried out on the development of code for uncertainty analysis is based on a statistical approach for assessing the uncertainty input parameters. In the butn-up calculation of fuel, uncertainty analysis performed for input parameters fuel density, coolant density and fuel temperature. This calculation is performed during irradiation using Monte Carlo N-Particle Transport. The Uncertainty method based on the probabilities density function. Development code is made in python script to do coupling with MCNPX for criticality and burn-up calculations. Simulation is done by modeling the geometry of PWR terrace, with MCNPX on the power 54 MW with fuelmore » type UO2 pellets. The calculation is done by using the data library continuous energy cross-sections ENDF / B-VI. MCNPX requires nuclear data in ACE format. Development of interfaces for obtaining nuclear data in the form of ACE format of ENDF through special process NJOY calculation to temperature changes in a certain range.« less

A comprehensive model to determine the effects of temperature and species fluctuations on reaction rates in turbulent reacting flows

NASA Technical Reports Server (NTRS)

Chinitz, W.

1986-01-01

A computationally-viable model describing the interaction between fluid-mechanical turbulence and finite-rate combustion reactions, principally in high-speed flows was developed. Chemical kinetic mechanisms, complete and global, were developed describing the finite rate reaction of fuels of interest to NASA. These fuels included principally hydrogen and silane, although a limited amount of work involved hydrocarbon fuels as well.

Chemistry and Transport Properties for Jet Fuel Combustion

DTIC Science & Technology

2013-04-01

AFRL-OSR-VA-TR-2013-0168 Chemistry and Transport Properties for Jet Fuel Combustion Angela Violi University of Michigan...5a. CONTRACT NUMBER (U) Chemistry and Transport Properties for Jet Fuel Combustion 5b. GRANT NUMBER FA9550-09-1-0021 5c...combustors.   Although,  chemical  kinetic  mechanisms  of  hydrocarbons  have  been  widely  studied,  molecular   transport

CFD analysis of municipal solid waste combustion using detailed chemical kinetic modelling.

PubMed

Frank, Alex; Castaldi, Marco J

2014-08-01

Nitrogen oxides (NO x ) emissions from the combustion of municipal solid waste (MSW) in waste-to-energy (WtE) facilities are receiving renewed attention to reduce their output further. While NO x emissions are currently 60% below allowed limits, further reductions will decrease the air pollution control (APC) system burden and reduce consumption of NH3. This work combines the incorporation of the GRI 3.0 mechanism as a detailed chemical kinetic model (DCKM) into a custom three-dimensional (3D) computational fluid dynamics (CFD) model fully to understand the NO x chemistry in the above-bed burnout zones. Specifically, thermal, prompt and fuel NO formation mechanisms were evaluated for the system and a parametric study was utilized to determine the effect of varying fuel nitrogen conversion intermediates between HCN, NH3 and NO directly. Simulation results indicate that the fuel nitrogen mechanism accounts for 92% of the total NO produced in the system with thermal and prompt mechanisms accounting for the remaining 8%. Results also show a 5% variation in final NO concentration between HCN and NH3 inlet conditions, demonstrating that the fuel nitrogen intermediate assumed is not significant. Furthermore, the conversion ratio of fuel nitrogen to NO was 0.33, revealing that the majority of fuel nitrogen forms N2. © The Author(s) 2014.

The effect of carbon-chain oxygenation in the carbon-carbon dissociation.

PubMed

Dos Santos, Lisandra Paulino; Baptista, Leonardo

2018-06-01

Currently, there is a trend of moving away from the use of fossil fuels to the use of biofuels. This modification changes the molecular structure of gasoline and diesel constituents, which should impact pollutant emissions and engine efficiency. An important property of automotive fuels is the resistance to autoignition. The goal of the present work is to evaluate thermochemical and kinetic parameters that govern the carbon-carbon bond dissociation and relate these parameters, in conjunction with molecular properties, to autoignition resistance. Three model reactions were investigated in the present work: dissociation of ethane, ethanol, and ethanal. All studies were conducted at the multiconfigurational level of theory, and the rate coefficients were evaluated from 300 to 2000 K. The comparison of dissociation energies and Arrhenius expressions indicates that autoignition resistance is related to the kinetic control of dissociation reactions and it is possible to relate the higher octane number of ethanol based fuels to the kinetics parameters of carbon-carbon bond fission. Graphical abstract Effect of the functional group in the Arrhenius parameters of the C-C dissociation. Arrhenius curves calculated at NEVPT2(6,6)/6-311G(2df,2pd).

Simplified jet-A kinetic mechanism for combustor application

NASA Technical Reports Server (NTRS)

Lee, Chi-Ming; Kundu, Krishna; Ghorashi, Bahman

1993-01-01

Successful modeling of combustion and emissions in gas turbine engine combustors requires an adequate description of the reaction mechanism. For hydrocarbon oxidation, detailed mechanisms are only available for the simplest types of hydrocarbons such as methane, ethane, acetylene, and propane. These detailed mechanisms contain a large number of chemical species participating simultaneously in many elementary kinetic steps. Current computational fluid dynamic (CFD) models must include fuel vaporization, fuel-air mixing, chemical reactions, and complicated boundary geometries. To simulate these conditions a very sophisticated computer model is required, which requires large computer memory capacity and long run times. Therefore, gas turbine combustion modeling has frequently been simplified by using global reaction mechanisms, which can predict only the quantities of interest: heat release rates, flame temperature, and emissions. Jet fuels are wide-boiling-range hydrocarbons with ranges extending through those of gasoline and kerosene. These fuels are chemically complex, often containing more than 300 components. Jet fuel typically can be characterized as containing 70 vol pct paraffin compounds and 25 vol pct aromatic compounds. A five-step Jet-A fuel mechanism which involves pyrolysis and subsequent oxidation of paraffin and aromatic compounds is presented here. This mechanism is verified by comparing with Jet-A fuel ignition delay time experimental data, and species concentrations obtained from flametube experiments. This five-step mechanism appears to be better than the current one- and two-step mechanisms.

Ion distribution in the hot spot of an inertial confinement fusion plasma

NASA Astrophysics Data System (ADS)

Tang, Xianzhu; Guo, Zehua; Berk, Herb

2012-10-01

Maximizing the fusion gain of inertial confinement fusion (ICF) for inertial fusion energy (IFE) applications leads to the standard scenario of central hot spot ignition followed by propagating burn wave through the cold/dense assembled fuel. The fact that the hot spot is surrounded by cold but dense fuel layer introduces subtle plasma physics which requires a kinetic description. Here we perform Fokker-Planck calculations and kinetic PIC simulations for an ICF plasma initially in pressure balance but having large temperature gradient over a narrow transition layer. The loss of the fast ion tail from the hot spot, which is important for fusion reactivity, is quantified by Fokker-Planck models. The role of electron energy transport and the ambipolar electric field is investigated via kinetic simulations and the fluid moment models. The net effect on both hot spot ion temperature and the ion tail distribution, and hence the fusion reactivity, is elucidated.

Analysis of transient fission gas behaviour in oxide fuel using BISON and TRANSURANUS

NASA Astrophysics Data System (ADS)

Barani, T.; Bruschi, E.; Pizzocri, D.; Pastore, G.; Van Uffelen, P.; Williamson, R. L.; Luzzi, L.

2017-04-01

The modelling of fission gas behaviour is a crucial aspect of nuclear fuel performance analysis in view of the related effects on the thermo-mechanical performance of the fuel rod, which can be particularly significant during transients. In particular, experimental observations indicate that substantial fission gas release (FGR) can occur on a small time scale during transients (burst release). To accurately reproduce the rapid kinetics of the burst release process in fuel performance calculations, a model that accounts for non-diffusional mechanisms such as fuel micro-cracking is needed. In this work, we present and assess a model for transient fission gas behaviour in oxide fuel, which is applied as an extension of conventional diffusion-based models to introduce the burst release effect. The concept and governing equations of the model are presented, and the sensitivity of results to the newly introduced parameters is evaluated through an analytic sensitivity analysis. The model is assessed for application to integral fuel rod analysis by implementation in two structurally different fuel performance codes: BISON (multi-dimensional finite element code) and TRANSURANUS (1.5D code). Model assessment is based on the analysis of 19 light water reactor fuel rod irradiation experiments from the OECD/NEA IFPE (International Fuel Performance Experiments) database, all of which are simulated with both codes. The results point out an improvement in both the quantitative predictions of integral fuel rod FGR and the qualitative representation of the FGR kinetics with the transient model relative to the canonical, purely diffusion-based models of the codes. The overall quantitative improvement of the integral FGR predictions in the two codes is comparable. Moreover, calculated radial profiles of xenon concentration after irradiation are investigated and compared to experimental data, illustrating the underlying representation of the physical mechanisms of burst release.

Pure rotational CARS thermometry studies of low-temperature oxidation kinetics in air and ethene-air nanosecond pulse discharge plasmas

NASA Astrophysics Data System (ADS)

Zuzeek, Yvette; Choi, Inchul; Uddi, Mruthunjaya; Adamovich, Igor V.; Lempert, Walter R.

2010-03-01

Pure rotational CARS thermometry is used to study low-temperature plasma assisted fuel oxidation kinetics in a repetitive nanosecond pulse discharge in ethene-air at stoichiometric and fuel lean conditions at 40 Torr pressure. Air and fuel-air mixtures are excited by a burst of high-voltage nanosecond pulses (peak voltage, 20 kV; pulse duration, ~ 25 ns) at a 40 kHz pulse repetition rate and a burst repetition rate of 10 Hz. The number of pulses in the burst is varied from a few pulses to a few hundred pulses. The results are compared with the previously developed hydrocarbon-air plasma chemistry model, modified to incorporate non-empirical scaling of the nanosecond discharge pulse energy coupled to the plasma with number density, as well as one-dimensional conduction heat transfer. Experimental time-resolved temperature, determined as a function of the number of pulses in the burst, is found to agree well with the model predictions. The results demonstrate that the heating rate in fuel-air plasmas is much faster compared with air plasmas, primarily due to energy release in exothermic reactions of fuel with O atoms generated by the plasma. It is found that the initial heating rate in fuel-air plasmas is controlled by the rate of radical (primarily O atoms) generation and is nearly independent of the equivalence ratio. At long burst durations, the heating rate in lean fuel air-mixtures is significantly reduced when all fuel is oxidized.

Antibody-controlled actuation of DNA-based molecular circuits.

PubMed

Engelen, Wouter; Meijer, Lenny H H; Somers, Bram; de Greef, Tom F A; Merkx, Maarten

2017-02-17

DNA-based molecular circuits allow autonomous signal processing, but their actuation has relied mostly on RNA/DNA-based inputs, limiting their application in synthetic biology, biomedicine and molecular diagnostics. Here we introduce a generic method to translate the presence of an antibody into a unique DNA strand, enabling the use of antibodies as specific inputs for DNA-based molecular computing. Our approach, antibody-templated strand exchange (ATSE), uses the characteristic bivalent architecture of antibodies to promote DNA-strand exchange reactions both thermodynamically and kinetically. Detailed characterization of the ATSE reaction allowed the establishment of a comprehensive model that describes the kinetics and thermodynamics of ATSE as a function of toehold length, antibody-epitope affinity and concentration. ATSE enables the introduction of complex signal processing in antibody-based diagnostics, as demonstrated here by constructing molecular circuits for multiplex antibody detection, integration of multiple antibody inputs using logic gates and actuation of enzymes and DNAzymes for signal amplification.

Antibody-controlled actuation of DNA-based molecular circuits

NASA Astrophysics Data System (ADS)

Engelen, Wouter; Meijer, Lenny H. H.; Somers, Bram; de Greef, Tom F. A.; Merkx, Maarten

2017-02-01

DNA-based molecular circuits allow autonomous signal processing, but their actuation has relied mostly on RNA/DNA-based inputs, limiting their application in synthetic biology, biomedicine and molecular diagnostics. Here we introduce a generic method to translate the presence of an antibody into a unique DNA strand, enabling the use of antibodies as specific inputs for DNA-based molecular computing. Our approach, antibody-templated strand exchange (ATSE), uses the characteristic bivalent architecture of antibodies to promote DNA-strand exchange reactions both thermodynamically and kinetically. Detailed characterization of the ATSE reaction allowed the establishment of a comprehensive model that describes the kinetics and thermodynamics of ATSE as a function of toehold length, antibody-epitope affinity and concentration. ATSE enables the introduction of complex signal processing in antibody-based diagnostics, as demonstrated here by constructing molecular circuits for multiplex antibody detection, integration of multiple antibody inputs using logic gates and actuation of enzymes and DNAzymes for signal amplification.

Fuels Combustion Research.

DTIC Science & Technology

1982-07-30

Institute, Paper 78-42 (1978). 3. Colket, M.B., Naegeli , D.W. and Glassman, I., "High Temperature Pyro- lysis of Acetaldehyde", Int’l J. of Chem...Kinetics 7. 233 (1975). 4. Aronowitz, D. and Naegeli , D.W., "High Temperature Pyrolysis of Di-methylether", Int’l J. Chem. Kinetics_ 471 (1977). • 5

KINETICS OF TREAT USED AS A TEST REACTOR

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

Dickerman, C.E.; Johnson, R.D.; Gasidlo, J.

1962-05-01

An analysis is presented concerning the reactor kinetics of TREAT used as a pulsed, engineering test reactor for fast reactor fuel element studies. A description of the reactor performance is given for a wide range of conditions associated with its use as a test reactor. Supplemental information on meltdown experimentation is included. (J.R.D.)

Spectroscopic and chemical-kinetic analysis of the phases of HCCI autoignition and combustion for single- and two-stage ignition fuels

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

Hwang, Wontae; Dec, John; Sjoeberg, Magnus

The temporal phases of autoignition and combustion in an HCCI engine have been investigated in both an all-metal engine and a matching optical engine. Gasoline, a primary reference fuel mixture (PRF80), and several representative real-fuel constituents were examined. Only PRF80, which is a two-stage ignition fuel, exhibited a ''cool-flame'' low-temperature heat-release (LTHR) phase. For all fuels, slow exothermic reactions occurring at intermediate temperatures raised the charge temperature to the hot-ignition point. In addition to the amount of LTHR, differences in this intermediate-temperature heat-release (ITHR) phase affect the fuel ignition quality. Chemiluminescence images of iso-octane show a weak and uniform lightmore » emission during this phase. This is followed by the main high-temperature heat-release (HTHR) phase. Finally, a ''burnout'' phase was observed, with very weak uniform emission and near-zero heat-release rate (HRR). To better understand these combustion phases, chemiluminescence spectroscopy and chemical-kinetic analysis were applied for the single-stage ignition fuel, iso-octane, and the two-stage fuel, PRF80. For both fuels, the spectrum obtained during the ITHR phase was dominated by formaldehyde chemiluminescence. This was similar to the LTHR spectrum of PRF80, but the emission intensity and the temperature were much higher, indicating differences between the ITHR and LTHR phases. Chemical-kinetic modeling clarified the differences and similarities between the LTHR and ITHR phases and the cause of the enhanced ITHR with PRF80. The HTHR spectra for both fuels were dominated by a broad CO continuum with some contribution from bands of HCO, CH, and OH. The modeling showed that the CO+ O{yields}CO{sub 2}+h{nu} reaction responsible for the CO continuum emission tracks the HTHR well, explaining the strong correlation observed experimentally between the total chemiluminescence and HRR during the HTHR phase. It also showed that the CO continuum does not contribute to the ITHR and LTHR chemiluminescence. Bands of H{sub 2}O and O{sub 2} in the red and IR regions were also detected during the HTHR, which the data indicated were most likely due to thermal excitation. The very weak light emission in the ''burnout'' phase also appeared to be thermal emission from H{sub 2}O and O{sub 2}. (author)« less

Kinetic Plasma and Turbulent Mix Studies using DT Plastic-shell Implosions with Shell-thickness and Pressure Variations

NASA Astrophysics Data System (ADS)

Kim, Y.; Herrmann, H. W.; Hoffman, N. M.; Schmitt, M. J.; Bradley, P. A.; Kagan, G.; Gales, S.; Horsfield, C. J.; Rubery, M.; Leatherland, A.; Gatu Johnson, M.; Glebov, V.; Seka, W.; Marshall, F.; Stoeckl, C.; Church, J.

2014-10-01

Kinetic plasma and turbulent mix effects on inertial confinement fusion have been studied using a series of DT-filled plastic-shell implosions at the OMEGA laser facility. Plastic capsules of 4 different shell thicknesses (7.4, 15, 20, 29 micron) were shot at 2 different fill pressures in order to vary the ion mean free path compared to the size of fuel region (i.e., Knudsen number). We varied the empirical Knudsen number by a factor of 25. Measurements were obtained from the burn-averaged ion temperature and fuel areal density. Preliminary results indicate that as the empirical Knudsen number increases, fusion performances (e.g., neutron yield) increasingly deviate from hydrodynamic simulations unless turbulent mix and ion kinetic terms (e.g., enhanced ion diffusion, viscosity, thermal conduction, as well as Knudsen-layer fusion reactivity reduction) are considered. We are developing two separate simulations: one is a reduced-ion-kinetics model and the other is turbulent mix model. Two simulation results will be compared with the experimental observables.

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

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

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

1987-01-01

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

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

Liang, Linyun; Mei, Zhi-Gang; Yacout, Abdellatif M.

We have developed a mesoscale phase-field model for studying the effect of recrystallization on the gas-bubble-driven swelling in irradiated U-Mo alloy fuel. The model can simulate the microstructural evolution of the intergranular gas bubbles on the grain boundaries as well as the recrystallization process. Our simulation results show that the intergranular gas-bubble-induced fuel swelling exhibits two stages: slow swelling kinetics before recrystallization and rapid swelling kinetics with recrystallization. We observe that the recrystallization can significantly expedite the formation and growth of gas bubbles at high fission densities. The reason is that the recrystallization process increases the nucleation probability of gasmore » bubbles and reduces the diffusion time of fission gases from grain interior to grain boundaries by increasing the grain boundary area and decreasing the diffusion distance. The simulated gas bubble shape, size distribution, and density on the grain boundaries are consistent with experimental measurements. We investigate the effect of the recrystallization on the gas-bubble-driven fuel swelling in UMo through varying the initial grain size and grain aspect ratio. We conclude that the initial microstructure of fuel, such as grain size and grain aspect ratio, can be used to effectively control the recrystallization and therefore reduce the swelling in U-Mo fuel.« less

Energy efficiency of conventional, organic, and alternative cropping systems for food and fuel at a site in the U.S. Midwest.

PubMed

Gelfand, Ilya; Snapp, Sieglinde S; Robertson, G Philip

2010-05-15

The prospect of biofuel production on a large scale has focused attention on energy efficiencies associated with different agricultural systems and production goals. We used 17 years of detailed data on agricultural practices and yields to calculate an energy balance for different cropping systems under both food and fuel scenarios. We compared four grain and one forage systems in the U.S. Midwest: corn (Zea mays) - soybean (Glycine max) - wheat (Triticum aestivum) rotations managed with (1) conventional tillage, (2) no till, (3) low chemical input, and (4) biologically based (organic) practices, and (5) continuous alfalfa (Medicago sativa). We compared energy balances under two scenarios: all harvestable biomass used for food versus all harvestable biomass used for biofuel production. Among the annual grain crops, average energy costs of farming for the different systems ranged from 4.8 GJ ha(-1) y(-1) for the organic system to 7.1 GJ ha(-1) y(-1) for the conventional; the no-till system was also low at 4.9 GJ ha(-1) y(-1) and the low-chemical input system intermediate (5.2 GJ ha(-1) y(-1)). For each system, the average energy output for food was always greater than that for fuel. Overall energy efficiencies ranged from output:input ratios of 10 to 16 for conventional and no-till food production and from 7 to 11 for conventional and no-till fuel production, respectively. Alfalfa for fuel production had an efficiency similar to that of no-till grain production for fuel. Our analysis points to a more energetically efficient use of cropland for food than for fuel production and large differences in efficiencies attributable to management, which suggests multiple opportunities for improvement.

Fuels planning: science synthesis and integration; environmental consequences fact sheet 09: Fire and Fuels Extension to the Forest Vegetation Simulator (FFE-FVS)

Treesearch

Elizabeth Reinhardt

2005-01-01

FFE-FVS is a model linking stand development, fuel dynamics, fire behavior and fire effects. It allows comparison of mid- to long-term effects of management alternatives including harvest, mechanical fuel treatment, prescribed fire, salvage, and no action. This fact sheet identifies the intended users and uses, required inputs, what the model does, and tells the user...

Performance of fire behavior fuel models developed for the Rothermel Surface Fire Spread Model

Treesearch

Robert Ziel; W. Matt Jolly

2009-01-01

In 2005, 40 new fire behavior fuel models were published for use with the Rothermel Surface Fire Spread Model. These new models are intended to augment the original 13 developed in 1972 and 1976. As a compiled set of quantitative fuel descriptions that serve as input to the Rothermel model, the selected fire behavior fuel model has always been critical to the resulting...

10 CFR Appendix P to Subpart B of... - Uniform Test Method for Measuring the Energy Consumption of Pool Heaters

Code of Federal Regulations, 2012 CFR

2012-01-01

...-1994. The expression of fuel consumption for oil-fired pool heaters shall be in Btu. 4.2Average annual fossil fuel energy for pool heaters. The average annual fuel energy for pool heater, EF, is defined as... of pool operating hours=4464 h QIN=rated fuel energy input as defined according to 2.9.1 or 2.9.2 of...

40 CFR 60.102 - Standard for particulate matter.

Code of Federal Regulations, 2010 CFR

2010-07-01

... liquid or solid fossil fuel is burned, particulate matter in excess of that permitted by paragraph (a)(1... (Btu)) of heat input attributable to such liquid or solid fossil fuel. [39 FR 9315, Mar. 8, 1974, as...

40 CFR 60.102 - Standard for particulate matter.

Code of Federal Regulations, 2011 CFR

2011-07-01

... liquid or solid fossil fuel is burned, particulate matter in excess of that permitted by paragraph (a)(1... (Btu)) of heat input attributable to such liquid or solid fossil fuel. [39 FR 9315, Mar. 8, 1974, as...

40 CFR 60.102 - Standard for particulate matter.

Code of Federal Regulations, 2012 CFR

2012-07-01

... liquid or solid fossil fuel is burned, particulate matter in excess of that permitted by paragraph (a)(1... (Btu)) of heat input attributable to such liquid or solid fossil fuel. [39 FR 9315, Mar. 8, 1974, as...

40 CFR 60.102 - Standard for particulate matter.

Code of Federal Regulations, 2013 CFR

2013-07-01

... liquid or solid fossil fuel is burned, particulate matter in excess of that permitted by paragraph (a)(1... (Btu)) of heat input attributable to such liquid or solid fossil fuel. [39 FR 9315, Mar. 8, 1974, as...

40 CFR 60.102 - Standard for particulate matter.

Code of Federal Regulations, 2014 CFR

2014-07-01

... liquid or solid fossil fuel is burned, particulate matter in excess of that permitted by paragraph (a)(1... (Btu)) of heat input attributable to such liquid or solid fossil fuel. [39 FR 9315, Mar. 8, 1974, as...

Well-to-wheels analysis of fast pyrolysis pathways with the GREET model.

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

Han, J.; Elgowainy, A.; Palou-Rivera, I.

The pyrolysis of biomass can help produce liquid transportation fuels with properties similar to those of petroleum gasoline and diesel fuel. Argonne National Laboratory conducted a life-cycle (i.e., well-to-wheels [WTW]) analysis of various pyrolysis pathways by expanding and employing the Greenhouse Gases, Regulated Emissions, and Energy Use in Transportation (GREET) model. The WTW energy use and greenhouse gas (GHG) emissions from the pyrolysis pathways were compared with those from the baseline petroleum gasoline and diesel pathways. Various pyrolysis pathway scenarios with a wide variety of possible hydrogen sources, liquid fuel yields, and co-product application and treatment methods were considered. Atmore » one extreme, when hydrogen is produced from natural gas and when bio-char is used for process energy needs, the pyrolysis-based liquid fuel yield is high (32% of the dry mass of biomass input). The reductions in WTW fossil energy use and GHG emissions relative to those that occur when baseline petroleum fuels are used, however, is modest, at 50% and 51%, respectively, on a per unit of fuel energy basis. At the other extreme, when hydrogen is produced internally via reforming of pyrolysis oil and when bio-char is sequestered in soil applications, the pyrolysis-based liquid fuel yield is low (15% of the dry mass of biomass input), but the reductions in WTW fossil energy use and GHG emissions are large, at 79% and 96%, respectively, relative to those that occur when baseline petroleum fuels are used. The petroleum energy use in all scenarios was restricted to biomass collection and transportation activities, which resulted in a reduction in WTW petroleum energy use of 92-95% relative to that found when baseline petroleum fuels are used. Internal hydrogen production (i.e., via reforming of pyrolysis oil) significantly reduces fossil fuel use and GHG emissions because the hydrogen from fuel gas or pyrolysis oil (renewable sources) displaces that from fossil fuel natural gas and the amount of fossil natural gas used for hydrogen production is reduced; however, internal hydrogen production also reduces the potential petroleum energy savings (per unit of biomass input basis) because the fuel yield declines dramatically. Typically, a process that has a greater liquid fuel yield results in larger petroleum savings per unit of biomass input but a smaller reduction in life-cycle GHG emissions. Sequestration of the large amount of bio-char co-product (e.g., in soil applications) provides a significant carbon dioxide credit, while electricity generation from bio-char combustion provides a large energy credit. The WTW energy and GHG emissions benefits observed when a pyrolysis oil refinery was integrated with a pyrolysis reactor were small when compared with those that occur when pyrolysis oil is distributed to a distant refinery, since the activities associated with transporting the oil between the pyrolysis reactors and refineries have a smaller energy and emissions footprint than do other activities in the pyrolysis pathway.« less

A comprehensive iso-octane combustion model with improved thermochemistry and chemical kinetics

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

Atef, Nour; Kukkadapu, Goutham; Mohamed, Samah Y.

Iso-Octane (2,2,4-trimethylpentane) is a primary reference fuel and an important component of gasoline fuels. Furthermore, it is a key component used in surrogates to study the ignition and burning characteristics of gasoline fuels. This paper presents an updated chemical kinetic model for iso-octane combustion. Specifically, the thermodynamic data and reaction kinetics of iso-octane have been re-assessed based on new thermodynamic group values and recently evaluated rate coefficients from the literature. The adopted rate coefficients were either experimentally measured or determined by analogy to theoretically calculated values. New alternative isomerization pathways for peroxy-alkyl hydroperoxide (more » $$\\dot{O}$$OQOOH) radicals were added to the reaction mechanism. The updated kinetic model was compared against new ignition delay data measured in rapid compression machines (RCM) and a high-pressure shock tube. Our experiments were conducted at pressures of 20 and 40 atm, at equivalence ratios of 0.4 and 1.0, and at temperatures in the range of 632–1060 K. The updated model was further compared against shock tube ignition delay times, jet-stirred reactor oxidation speciation data, premixed laminar flame speeds, counterflow diffusion flame ignition, and shock tube pyrolysis speciation data available in the literature. Finally, the updated model was used to investigate the importance of alternative isomerization pathways in the low temperature oxidation of highly branched alkanes. When compared to available models in the literature, the present model represents the current state-of-the-art in fundamental thermochemistry and reaction kinetics of iso-octane; and thus provides the best prediction of wide ranging experimental data and fundamental insights into iso-octane combustion chemistry.« less

A comprehensive iso-octane combustion model with improved thermochemistry and chemical kinetics

DOE PAGES

Atef, Nour; Kukkadapu, Goutham; Mohamed, Samah Y.; ...

2017-02-05

Iso-Octane (2,2,4-trimethylpentane) is a primary reference fuel and an important component of gasoline fuels. Furthermore, it is a key component used in surrogates to study the ignition and burning characteristics of gasoline fuels. This paper presents an updated chemical kinetic model for iso-octane combustion. Specifically, the thermodynamic data and reaction kinetics of iso-octane have been re-assessed based on new thermodynamic group values and recently evaluated rate coefficients from the literature. The adopted rate coefficients were either experimentally measured or determined by analogy to theoretically calculated values. New alternative isomerization pathways for peroxy-alkyl hydroperoxide (more » $$\\dot{O}$$OQOOH) radicals were added to the reaction mechanism. The updated kinetic model was compared against new ignition delay data measured in rapid compression machines (RCM) and a high-pressure shock tube. Our experiments were conducted at pressures of 20 and 40 atm, at equivalence ratios of 0.4 and 1.0, and at temperatures in the range of 632–1060 K. The updated model was further compared against shock tube ignition delay times, jet-stirred reactor oxidation speciation data, premixed laminar flame speeds, counterflow diffusion flame ignition, and shock tube pyrolysis speciation data available in the literature. Finally, the updated model was used to investigate the importance of alternative isomerization pathways in the low temperature oxidation of highly branched alkanes. When compared to available models in the literature, the present model represents the current state-of-the-art in fundamental thermochemistry and reaction kinetics of iso-octane; and thus provides the best prediction of wide ranging experimental data and fundamental insights into iso-octane combustion chemistry.« less

Numerical research of reburning-process of burning of coal-dust torch

NASA Astrophysics Data System (ADS)

Trinchenko, Alexey; Paramonov, Aleksandr; Kadyrov, Marsel; Koryabkin, Aleksey

2017-10-01

This work is dedicated to numerical research of ecological indicators of technological method of decrease in emissions of nitrogen oxides at combustion of solid fuel in coal-dust torch to improve the energy efficiency of steam boilers. The technology of step burning with additional input in zone of the maximum concentration of pollutant of strongly crushed fuel for formation of molecular nitrogen on surface of the burning carbon particles is considered. Results of modeling and numerical researches of technology, their analysis and comparison with the experimental data of the reconstructed boiler are given. Results of work show that input of secondary fuel allows to reduce emissions of nitrogen oxides by boiler installation without prejudice to its economic indicators.

Oxygen diffusion model of the mixed (U,Pu)O2 ± x: Assessment and application

NASA Astrophysics Data System (ADS)

Moore, Emily; Guéneau, Christine; Crocombette, Jean-Paul

2017-03-01

The uranium-plutonium (U,Pu)O2 ± x mixed oxide (MOX) is used as a nuclear fuel in some light water reactors and considered for future reactor generations. To gain insight into fuel restructuring, which occurs during the fuel lifetime as well as possible accident scenarios understanding of the thermodynamic and kinetic behavior is crucial. A comprehensive evaluation of thermo-kinetic properties is incorporated in a computational CALPHAD type model. The present DICTRA based model describes oxygen diffusion across the whole range of plutonium, uranium and oxygen compositions and temperatures by incorporating vacancy and interstitial migration pathways for oxygen. The self and chemical diffusion coefficients are assessed for the binary UO2 ± x and PuO2 - x systems and the description is extended to the ternary mixed oxide (U,Pu)O2 ± x by extrapolation. A simulation to validate the applicability of this model is considered.

Thermodynamic modelling and solar reactor design for syngas production through SCWG of algae

NASA Astrophysics Data System (ADS)

Venkataraman, Mahesh B.; Rahbari, Alireza; Pye, John

2017-06-01

Conversion of algal biomass into value added products, such as liquid fuels, using solar-assisted supercritical water gasification (SCWG) offers a promising approach for clean fuel production. SCWG has significant advantages over conventional gasification in terms of flexibility of feedstock, faster intrinsic kinetics and lower char formation. A relatively unexplored avenue in SCWG is the use of non-renewable source of energy for driving the endothermic gasification. The use of concentrated solar thermal to provide the process heat is attractive, especially in the case of expensive feedstocks such as algae. This study attempts to identify the key parameters and constraints in designing a solar cavity receiver/reactor for on-sun SCWG of algal biomass. A tubular plug-flow reactor, operating at 24 MPa and 400-600 °C with a solar input of 20MWth is modelled. Solar energy is utilized to increase the temperature of the reaction medium (10 wt.% algae solution) from 400 to 605 °C and simultaneously drive the gasification. The model additionally incorporates material constraints based on the allowable stresses for a commercially available Ni-based alloy (Inconel 625), and exergy accounting for the cavity reactor. A parametric evaluation of the steady state performance and quantification of the losses through wall conduction, external radiation and convection, internal convection, frictional pressure drop, mixing and chemical irreversibility, is presented.

Overview and example application of the Landscape Treatment Designer

Treesearch

Alan A. Ager; Nicole M. Vaillant; David E. Owens; Stuart Brittain; Jeff Hamann

2012-01-01

The Landscape Treatment Designer (LTD) is a multicriteria spatial prioritization and optimization system to help design and explore landscape fuel treatment scenarios. The program fills a gap between fire model programs such as FlamMap, and planning systems such as ArcFuels, in the fuel treatment planning process. The LTD uses inputs on spatial treatment objectives,...

40 CFR 63.7540 - How do I demonstrate continuous compliance with the emission limitations, fuel specifications and...

Code of Federal Regulations, 2011 CFR

2011-07-01

... in lower fuel input of chlorine and mercury than the maximum values calculated during the last... chlorine concentration for any new fuel type in units of pounds per million Btu, based on supplier data or... content of chlorine. (iii) Recalculate the hydrogen chloride emission rate from your boiler or process...

40 CFR 60.42 - Standard for particulate matter (PM).

Code of Federal Regulations, 2011 CFR

2011-07-01

... Fossil-Fuel-Fired Steam Generators for Which Construction Is Commenced After August 17, 1971 § 60.42... PM in excess of 43 nanograms per joule (ng/J) heat input (0.10 lb/MMBtu) derived from fossil fuel or fossil fuel and wood residue. (2) Exhibit greater than 20 percent opacity except for one six-minute...

40 CFR 60.42 - Standard for particulate matter (PM).

Code of Federal Regulations, 2010 CFR

2010-07-01

... Fossil-Fuel-Fired Steam Generators for Which Construction Is Commenced After August 17, 1971 § 60.42... PM in excess of 43 nanograms per joule (ng/J) heat input (0.10 lb/MMBtu) derived from fossil fuel or fossil fuel and wood residue. (2) Exhibit greater than 20 percent opacity except for one six-minute...

40 CFR 63.11220 - When must I conduct subsequent performance tests or fuel analyses?

Code of Federal Regulations, 2014 CFR

2014-07-01

... performance tests or fuel analyses? 63.11220 Section 63.11220 Protection of Environment ENVIRONMENTAL... When must I conduct subsequent performance tests or fuel analyses? (a) If your boiler has a heat input... performance (stack) tests according to § 63.11212 on a triennial basis, except as specified in paragraphs (b...

40 CFR 63.11220 - When must I conduct subsequent performance tests or fuel analyses?

Code of Federal Regulations, 2013 CFR

2013-07-01

... performance tests or fuel analyses? 63.11220 Section 63.11220 Protection of Environment ENVIRONMENTAL... When must I conduct subsequent performance tests or fuel analyses? (a) If your boiler has a heat input... performance (stack) tests according to § 63.11212 on a triennial basis, except as specified in paragraphs (b...

40 CFR 98.322 - GHGs to report.

Code of Federal Regulations, 2011 CFR

2011-07-01

... Stationary Fuel Combustion Sources) the CO2, CH4, and N2O emissions from each stationary fuel combustion unit... emissions from ventilation and degasification systems. (d) You must report under this subpart the CO2 emissions from coal mine gas CH4 destruction occuring at the facility, where the gas is not a fuel input for...

40 CFR 98.322 - GHGs to report.

Code of Federal Regulations, 2013 CFR

2013-07-01

... Stationary Fuel Combustion Sources) the CO2, CH4, and N2O emissions from each stationary fuel combustion unit... emissions from ventilation and degasification systems. (d) You must report under this subpart the CO2 emissions from coal mine gas CH4 destruction occuring at the facility, where the gas is not a fuel input for...

40 CFR 98.322 - GHGs to report.

Code of Federal Regulations, 2012 CFR

2012-07-01

... Stationary Fuel Combustion Sources) the CO2, CH4, and N2O emissions from each stationary fuel combustion unit... emissions from ventilation and degasification systems. (d) You must report under this subpart the CO2 emissions from coal mine gas CH4 destruction occuring at the facility, where the gas is not a fuel input for...

76 FR 9650 - Approval and Promulgation of Air Quality Implementation Plans; Maryland; Amendment to the...

Federal Register 2010, 2011, 2012, 2013, 2014

2011-02-22

... water and fuel-burning installations that involve direct heat exchange. Fuel-burning installations, such... (British thermal unit) Btu per hour heat input or the sulfur content of the fuel. Since a ``furnace'' is usually direct heat exchange, the State of Maryland concludes that it should not be included in the...

Short-Term Energy Outlook Model Documentation: Petroleum Products Supply Module

EIA Publications

2013-01-01

The Petroleum Products Supply Module of the Short-Term Energy Outlook (STEO) model provides forecasts of petroleum refinery inputs (crude oil, unfinished oils, pentanes plus, liquefied petroleum gas, motor gasoline blending components, and aviation gasoline blending components) and refinery outputs (motor gasoline, jet fuel, distillate fuel, residual fuel, liquefied petroleum gas, and other petroleum products).

40 CFR 63.7550 - What reports must I submit and when?

Code of Federal Regulations, 2011 CFR

2011-07-01

... this test, if applicable. (6) A signed statement indicating that you burned no new types of fuel. Or, if you did burn a new type of fuel, you must submit the calculation of chlorine input, using Equation... or process heaters that demonstrate compliance through fuel analysis). If you burned a new type of...

A waste characterisation procedure for ADM1 implementation based on degradation kinetics.

PubMed

Girault, R; Bridoux, G; Nauleau, F; Poullain, C; Buffet, J; Steyer, J-P; Sadowski, A G; Béline, F

2012-09-01

In this study, a procedure accounting for degradation kinetics was developed to split the total COD of a substrate into each input state variable required for Anaerobic Digestion Model n°1. The procedure is based on the combination of batch experimental degradation tests ("anaerobic respirometry") and numerical interpretation of the results obtained (optimisation of the ADM1 input state variable set). The effects of the main operating parameters, such as the substrate to inoculum ratio in batch experiments and the origin of the inoculum, were investigated. Combined with biochemical fractionation of the total COD of substrates, this method enabled determination of an ADM1-consistent input state variable set for each substrate with affordable identifiability. The substrate to inoculum ratio in the batch experiments and the origin of the inoculum influenced input state variables. However, based on results modelled for a CSTR fed with the substrate concerned, these effects were not significant. Indeed, if the optimal ranges of these operational parameters are respected, uncertainty in COD fractionation is mainly limited to temporal variability of the properties of the substrates. As the method is based on kinetics and is easy to implement for a wide range of substrates, it is a very promising way to numerically predict the effect of design parameters on the efficiency of an anaerobic CSTR. This method thus promotes the use of modelling for the design and optimisation of anaerobic processes. Copyright © 2012 Elsevier Ltd. All rights reserved.

Vastly accelerated linear least-squares fitting with numerical optimization for dual-input delay-compensated quantitative liver perfusion mapping.

PubMed

Jafari, Ramin; Chhabra, Shalini; Prince, Martin R; Wang, Yi; Spincemaille, Pascal

2018-04-01

To propose an efficient algorithm to perform dual input compartment modeling for generating perfusion maps in the liver. We implemented whole field-of-view linear least squares (LLS) to fit a delay-compensated dual-input single-compartment model to very high temporal resolution (four frames per second) contrast-enhanced 3D liver data, to calculate kinetic parameter maps. Using simulated data and experimental data in healthy subjects and patients, whole-field LLS was compared with the conventional voxel-wise nonlinear least-squares (NLLS) approach in terms of accuracy, performance, and computation time. Simulations showed good agreement between LLS and NLLS for a range of kinetic parameters. The whole-field LLS method allowed generating liver perfusion maps approximately 160-fold faster than voxel-wise NLLS, while obtaining similar perfusion parameters. Delay-compensated dual-input liver perfusion analysis using whole-field LLS allows generating perfusion maps with a considerable speedup compared with conventional voxel-wise NLLS fitting. Magn Reson Med 79:2415-2421, 2018. © 2017 International Society for Magnetic Resonance in Medicine. © 2017 International Society for Magnetic Resonance in Medicine.

Hydrogen-fueled scramjets: Potential for detailed combustor analysis

NASA Technical Reports Server (NTRS)

Beach, H. L., Jr.

1976-01-01

Combustion research related to hypersonic scramjet (supersonic combustion ramjet) propulsion is discussed from the analytical point of view. Because the fuel is gaseous hydrogen, mixing is single phase and the chemical kinetics are well known; therefore, the potential for analysis is good relative to hydro-carbon fueled engines. Recent progress in applying two and three dimensional analytical techniques to mixing and reacting flows indicates cause for optimism, and identifies several areas for continuing effort.

Performance of U3Si2 Fuel in a Reactivity Insertion Accident

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

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

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

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

Barani, T.; Bruschi, E.; Pizzocri, D.

The modelling of fission gas behaviour is a crucial aspect of nuclear fuel analysis in view of the related effects on the thermo-mechanical performance of the fuel rod, which can be particularly significant during transients. Experimental observations indicate that substantial fission gas release (FGR) can occur on a small time scale during transients (burst release). To accurately reproduce the rapid kinetics of burst release in fuel performance calculations, a model that accounts for non-diffusional mechanisms such as fuel micro-cracking is needed. In this work, we present and assess a model for transient fission gas behaviour in oxide fuel, which ismore » applied as an extension of diffusion-based models to allow for the burst release effect. The concept and governing equations of the model are presented, and the effect of the newly introduced parameters is evaluated through an analytic sensitivity analysis. Then, the model is assessed for application to integral fuel rod analysis. The approach that we take for model assessment involves implementation in two structurally different fuel performance codes, namely, BISON (multi-dimensional finite element code) and TRANSURANUS (1.5D semi-analytic code). The model is validated against 19 Light Water Reactor fuel rod irradiation experiments from the OECD/NEA IFPE (International Fuel Performance Experiments) database, all of which are simulated with both codes. The results point out an improvement in both the qualitative representation of the FGR kinetics and the quantitative predictions of integral fuel rod FGR, relative to the canonical, purely diffusion-based models, with both codes. The overall quantitative improvement of the FGR predictions in the two codes is comparable. Furthermore, calculated radial profiles of xenon concentration are investigated and compared to experimental data, demonstrating the representation of the underlying mechanisms of burst release by the new model.« less

Novel anode catalyst for direct methanol fuel cells.

PubMed

Basri, S; Kamarudin, S K; Daud, W R W; Yaakob, Z; Kadhum, A A H

2014-01-01

PtRu catalyst is a promising anodic catalyst for direct methanol fuel cells (DMFCs) but the slow reaction kinetics reduce the performance of DMFCs. Therefore, this study attempts to improve the performance of PtRu catalysts by adding nickel (Ni) and iron (Fe). Multiwalled carbon nanotubes (MWCNTs) are used to increase the active area of the catalyst and to improve the catalyst performance. Electrochemical analysis techniques, such as energy dispersive X-ray spectrometry (EDX), X-ray diffraction (XRD), field emission scanning electron microscopy (FESEM), and X-ray photoelectron spectroscopy (XPS), are used to characterize the kinetic parameters of the hybrid catalyst. Cyclic voltammetry (CV) is used to investigate the effects of adding Fe and Ni to the catalyst on the reaction kinetics. Additionally, chronoamperometry (CA) tests were conducted to study the long-term performance of the catalyst for catalyzing the methanol oxidation reaction (MOR). The binding energies of the reactants and products are compared to determine the kinetics and potential surface energy for methanol oxidation. The FESEM analysis results indicate that well-dispersed nanoscale (2-5 nm) PtRu particles are formed on the MWCNTs. Finally, PtRuFeNi/MWCNT improves the reaction kinetics of anode catalysts for DMFCs and obtains a mass current of 31 A g(-1) catalyst.

Novel Anode Catalyst for Direct Methanol Fuel Cells

PubMed Central

Basri, S.; Kamarudin, S. K.; Daud, W. R. W.; Yaakob, Z.; Kadhum, A. A. H.

2014-01-01

PtRu catalyst is a promising anodic catalyst for direct methanol fuel cells (DMFCs) but the slow reaction kinetics reduce the performance of DMFCs. Therefore, this study attempts to improve the performance of PtRu catalysts by adding nickel (Ni) and iron (Fe). Multiwalled carbon nanotubes (MWCNTs) are used to increase the active area of the catalyst and to improve the catalyst performance. Electrochemical analysis techniques, such as energy dispersive X-ray spectrometry (EDX), X-ray diffraction (XRD), field emission scanning electron microscopy (FESEM), and X-ray photoelectron spectroscopy (XPS), are used to characterize the kinetic parameters of the hybrid catalyst. Cyclic voltammetry (CV) is used to investigate the effects of adding Fe and Ni to the catalyst on the reaction kinetics. Additionally, chronoamperometry (CA) tests were conducted to study the long-term performance of the catalyst for catalyzing the methanol oxidation reaction (MOR). The binding energies of the reactants and products are compared to determine the kinetics and potential surface energy for methanol oxidation. The FESEM analysis results indicate that well-dispersed nanoscale (2–5 nm) PtRu particles are formed on the MWCNTs. Finally, PtRuFeNi/MWCNT improves the reaction kinetics of anode catalysts for DMFCs and obtains a mass current of 31 A g−1 catalyst. PMID:24883406

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

PubMed

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

2014-02-13

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

Fully Burdened Cost of Fuel Using Input-Output Analysis

DTIC Science & Technology

2011-12-01

Distribution Model could be used to replace the current seven-step Fully Burdened Cost of Fuel process with a single step, allowing for less complex and...wide extension of the Bulk Fuels Distribution Model could be used to replace the current seven-step Fully Burdened Cost of Fuel process with a single...ABBREVIATIONS AEM Atlantic, Europe, and the Mediterranean AOAs Analysis of Alternatives DAG Defense Acquisition Guidebook DAU Defense Acquisition University

Evaluation of limited blood sampling population input approaches for kinetic quantification of [18F]fluorothymidine PET data.

PubMed

Contractor, Kaiyumars B; Kenny, Laura M; Coombes, Charles R; Turkheimer, Federico E; Aboagye, Eric O; Rosso, Lula

2012-03-24

Quantification of kinetic parameters of positron emission tomography (PET) imaging agents normally requires collecting arterial blood samples which is inconvenient for patients and difficult to implement in routine clinical practice. The aim of this study was to investigate whether a population-based input function (POP-IF) reliant on only a few individual discrete samples allows accurate estimates of tumour proliferation using [18F]fluorothymidine (FLT). Thirty-six historical FLT-PET data with concurrent arterial sampling were available for this study. A population average of baseline scans blood data was constructed using leave-one-out cross-validation for each scan and used in conjunction with individual blood samples. Three limited sampling protocols were investigated including, respectively, only seven (POP-IF7), five (POP-IF5) and three (POP-IF3) discrete samples of the historical dataset. Additionally, using the three-point protocol, we derived a POP-IF3M, the only input function which was not corrected for the fraction of radiolabelled metabolites present in blood. The kinetic parameter for net FLT retention at steady state, Ki, was derived using the modified Patlak plot and compared with the original full arterial set for validation. Small percentage differences in the area under the curve between all the POP-IFs and full arterial sampling IF was found over 60 min (4.2%-5.7%), while there were, as expected, larger differences in the peak position and peak height.A high correlation between Ki values calculated using the original arterial input function and all the population-derived IFs was observed (R2 = 0.85-0.98). The population-based input showed good intra-subject reproducibility of Ki values (R2 = 0.81-0.94) and good correlation (R2 = 0.60-0.85) with Ki-67. Input functions generated using these simplified protocols over scan duration of 60 min estimate net PET-FLT retention with reasonable accuracy.

A Pd/C-CeO2 Anode Catalyst for High-Performance Platinum-Free Anion Exchange Membrane Fuel Cells.

PubMed

Miller, Hamish A; Lavacchi, Alessandro; Vizza, Francesco; Marelli, Marcello; Di Benedetto, Francesco; D'Acapito, Francesco; Paska, Yair; Page, Miles; Dekel, Dario R

2016-05-10

One of the biggest obstacles to the dissemination of fuel cells is their cost, a large part of which is due to platinum (Pt) electrocatalysts. Complete removal of Pt is a difficult if not impossible task for proton exchange membrane fuel cells (PEM-FCs). The anion exchange membrane fuel cell (AEM-FC) has long been proposed as a solution as non-Pt metals may be employed. Despite this, few examples of Pt-free AEM-FCs have been demonstrated with modest power output. The main obstacle preventing the realization of a high power density Pt-free AEM-FC is sluggish hydrogen oxidation (HOR) kinetics of the anode catalyst. Here we describe a Pt-free AEM-FC that employs a mixed carbon-CeO2 supported palladium (Pd) anode catalyst that exhibits enhanced kinetics for the HOR. AEM-FC tests run on dry H2 and pure air show peak power densities of more than 500 mW cm(-2) . © 2016 WILEY-VCH Verlag GmbH & Co. KGaA, Weinheim.

Pyrolysis and oxy-fuel combustion characteristics and kinetics of petrochemical wastewater sludge using thermogravimetric analysis.

PubMed

Chen, Jianbiao; Mu, Lin; Cai, Jingcheng; Yao, Pikai; Song, Xigeng; Yin, Hongchao; Li, Aimin

2015-12-01

The pyrolysis and oxy-fuel combustion characteristics of petrochemical wastewater sludge (PS) were studied in air (O2/N2) and oxy-fuel (O2/CO2) atmospheres using non-isothermal thermogravimetric analysis (TGA). Pyrolysis experiments showed that the weight loss profiles were almost similar up to 1050K in both N2 and CO2 atmospheres, while further weight loss took place in CO2 atmosphere at higher temperatures due to char-CO2 gasification. Compared with 20%O2/80%N2, the drying and devolatilization stage of PS were delayed in 20%O2/80%CO2 due to the differences in properties of the diluting gases. In oxy-fuel combustion experiments, with O2 concentration increasing, characteristic temperatures decreased, while characteristic combustion rates and combustion performance indexes increased. Kinetic analysis of PS decomposition under various atmospheres was performed using Coats-Redfern approach. The results indicated that, with O2 concentration increasing, the activation energies of Step 1 almost kept constant, while the values of subsequent three steps increased. Copyright © 2015 Elsevier Ltd. All rights reserved.

Thermodynamic and kinetic aspects of UO 2 fuel oxidation in air at 400-2000 K

NASA Astrophysics Data System (ADS)

Taylor, Peter

2005-09-01

Most nuclear fuel oxidation research has addressed either low-temperature (<700 K) air oxidation related to fuel storage or high-temperature (>1500 K) steam oxidation linked to reactor safety. This paper attempts to unify modelling for air oxidation of UO 2 fuel over a wide range of temperature, and thus to assist future improvement of the ASTEC code, co-developed by IRSN and GRS. Phenomenological correlations for different temperature ranges distinguish between oxidation on the scale of individual grains to U 3O 7 and U 3O 8 below ˜700 K and individual fragments to U 3O 8 via UO 2+ x and/or U 4O 9 above ˜1200 K. Between about 700 and 1200 K, empirical oxidation rates slowly decline as the U 3O 8 product becomes coarser-grained and more coherent, and fragment-scale processes become important. A more mechanistic approach to high-temperature oxidation addresses questions of oxygen supply, surface reaction kinetics, thermodynamic properties, and solid-state oxygen diffusion. Experimental data are scarce, however, especially at low oxygen partial pressures and high temperatures.

Modeling, simulation and optimization of a no-chamber solid oxide fuel cell operated with a flat-flame burner

NASA Astrophysics Data System (ADS)

Vogler, Marcel; Horiuchi, Michio; Bessler, Wolfgang G.

A detailed computational model of a direct-flame solid oxide fuel cell (DFFC) is presented. The DFFC is based on a fuel-rich methane-air flame stabilized on a flat-flame burner and coupled to a solid oxide fuel cell (SOFC). The model consists of an elementary kinetic description of the premixed methane-air flame, a stagnation-point flow description of the coupled heat and mass transport within the gas phase, an elementary kinetic description of the electrochemistry, as well as heat, mass and charge transport within the SOFC. Simulated current-voltage characteristics show excellent agreement with experimental data published earlier (Kronemayer et al., 2007 [10]). The model-based analysis of loss processes reveals that ohmic resistance in the current collection wires dominates polarization losses, while electronic loss currents in the mixed conducting electrolyte have only little influence on the polarized cell. The model was used to propose an optimized cell design. Based on this analysis, power densities of above 200 mW cm -2 can be expected.

Flame Stability Limit and Exhaust Emissions of Low Calorific Fuel Combustion in Turbulent Diffusion Combustor for a Small-Scale Fuel Cell

NASA Astrophysics Data System (ADS)

Koseki, Hidenori

This paper describes an investigation conducted on flame stability and exhaust emissions from a turbulent diffusion combustor, fueled with low-calorific gas, for a small-scale fuel cell. It is important to maintain flame stability in the combustor, even under lean fuel conditions, and to suppress CO emission in the exhaust gas. An imitation off-gas, in which hydrogen and methane were diluted by adding nitrogen, with Wobbe indices ranging from ca. 4400-8700, corresponding to the fuel utility ratio of 90%-60%in the fuel cell, was supplied to the combustor, and the blow-off limits, CO, and NOx emissions were experimentally investigated. The results show that the blow-off excess air ratios increases with an increasing Wobbe index and with decreasing fuel input to the combustor, and that they are proportional to the hydrogen concentration in the fuel to the power of 0.5-1.0. In addition, it was found that the Damköhler numbers at blow-off limits decreased with decreasing fuel input and with increasing Wobbe indices, and that the product of (SS / V·M)A[H2][O2]0.5 was constant at blow-off limits. Furthermore, NOx emissions from the combustor were low, less than 20ppmV (O2=0%), it was also found that the apparent activation energy of NOx emission derived from Arrhenius plots was almost equal to that of prompt NO in the combustion of imitation off-gas.

Modeling the burnout of solid polydisperse fuel under the conditions of external heat transfer

NASA Astrophysics Data System (ADS)

Skorik, I. A.; Goldobin, Yu. M.; Tolmachev, E. M.; Gal'perin, L. G.

2013-11-01

A self-similar burnout mode of solid polydisperse fuel is considered taking into consideration heat transfer between fuel particles, gases, and combustion chamber walls. A polydisperse composition of fuel is taken into account by introducing particle distribution functions by radiuses obtained for the kinetic and diffusion combustion modes. Equations for calculating the temperatures of particles and gases are presented, which are written for particles average with respect to their distribution functions by radiuses taking into account the fuel burnout ratio. The proposed equations take into consideration the influence of fuel composition, air excess factor, and gas recirculation ratio. Calculated graphs depicting the variation of particle and gas temperatures, and the fuel burnout ratio are presented for an anthracite-fired boiler.

Review of alternative fuels data bases

NASA Technical Reports Server (NTRS)

Harsha, P. T.; Edelman, R. B.

1983-01-01

Based on an analysis of the interaction of fuel physical and chemical properties with combustion characteristics and indicators, a ranking of the importance of various fuel properties with respect to the combustion process was established. This ranking was used to define a suite of specific experiments whose objective is the development of an alternative fuels design data base. Combustion characteristics and indicators examined include droplet and spray formation, droplet vaporization and burning, ignition and flame stabilization, flame temperature, laminar flame speed, combustion completion, soot emissions, NOx and SOx emissions, and the fuels' thermal and oxidative stability and fouling and corrosion characteristics. Key fuel property data is found to include composition, thermochemical data, chemical kinetic rate information, and certain physical properties.

Stimulated raman scattering of fuel droplets

NASA Astrophysics Data System (ADS)

Acker, William P.; Serpengüzel, Ali; Chang, Richard K.; Hill, Steven C.

1990-07-01

The strong stimulated Raman scattering (SRS) from diesel fuel droplets has the potential of providing the relative concentration of multicomponent fuel and the absolute size of individual droplets. The morphology-dependent resonances (MDRs) of a sphere cause the droplet to act as an optical resonator which greatly lowers the SRS threshold. The number density, quality factor, and frequency shift of several MDRs are calculated as a function of the ratio of the index of refraction of the liquid and the surrounding gas, which approaches unity at the thermodynamic critical condition for the fuel spray. The SRS spectra of monodispersed droplets of toluene, pentane, Exxon-Aromatic-150, and Mobil D-2 are presented. The exponential growth region of the SRS intensity I 1S as a function of the input laser intensity I input is investigated for the toluene carbon ring breathing mode v 2 and the pentane C-H stretching region. The I 1S ratio of toluene and pentane is measured as a function of the ratio of the toluene and pentane concentration for monodispersed droplets. The reduced fluctuation in I 1S when I input is changed from multimode to single-mode is displayed as a histogram of the I 1S of the v 2 mode of toluene droplets.

The "trapped fraction" and interfacial jumps of concentration in fission products release from coated fuel particles

NASA Astrophysics Data System (ADS)

Ivanov, A. S.; Rusinkevich, A. A.; Taran, M. D.

2018-01-01

The FP Kinetics computer code [1] designed for calculation of fission products release from HTGR coated fuel particles was modified to allow consideration of chemical bonding, effects of limited solubility and component concentration jumps at interfaces between coating layers. Curves of Cs release from coated particles calculated with the FP Kinetics and PARFUME [2] codes were compared. It has been found that the consideration of concentration jumps at silicon carbide layer interfaces allows giving an explanation of some experimental data on Cs release obtained from post-irradiation heating tests. The need to perform experiments for measurement of solubility limits in coating materials was noted.

40 CFR Table 1 to Subpart Uuu of... - Metal HAP Emission Limits for Catalytic Cracking Units

Code of Federal Regulations, 2013 CFR

2013-07-01

... waste heat boiler in which you burn auxiliary or in supplemental liquid or solid fossil fuel, the... British thermal units (lb/million Btu) of heat input attributable to the liquid or solid fossil fuel; and... auxiliary or supplemental liquid or solid fossil fuel, the incremental rate of PM must not exceed 43.0 g/GJ...

Wood fueled boiler financial feasibility user's manual

Treesearch

Robert Govett; Scott Bowe; Terry Mace; Steve Hubbard; John (Rusty) Dramm; Richard Bergman

2005-01-01

“Wood Fueled Boiler Financial Feasibility” is a spreadsheet program designed for easy use on a personal computer. This program provides a starting point for interested parties to perform financial feasibility analysis of a steam boiler system for space heating or process heat. By allowing users to input the conditions applicable to their current or proposed fuel...

Developing custom fire behavior fuel models from ecologically complex fuel structures for upper Atlantic Coastal Plain forests

Treesearch

Bernard R. Parresol; Joe H. Scott; Anne Andreu; Susan Prichard; Laurie Kurth

2012-01-01

Currently geospatial fire behavior analyses are performed with an array of fire behavior modeling systems such as FARSITE, FlamMap, and the Large Fire Simulation System. These systems currently require standard or customized surface fire behavior fuel models as inputs that are often assigned through remote sensing information. The ability to handle hundreds or...

Water injected fuel cell system compressor

DOEpatents

Siepierski, James S.; Moore, Barbara S.; Hoch, Martin Monroe

2001-01-01

A fuel cell system including a dry compressor for pressurizing air supplied to the cathode side of the fuel cell. An injector sprays a controlled amount of water on to the compressor's rotor(s) to improve the energy efficiency of the compressor. The amount of water sprayed out the rotor(s) is controlled relative to the mass flow rate of air inputted to the compressor.

Abatement of N{sub 2}O emissions from circulating fluidized bed combustion through afterburning

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

Gustavsson, L.; Leckner, B.

1995-04-01

A method for the abatement of N{sub 2}O emission from fluidized bed combustion has been investigated. The method consists of burning a secondary fuel after the normal circulating fluidized bed combustor. Liquefied petroleum gas (LPG), fuel oil, pulverized coal, and wood, as well as sawdust, were used as the secondary fuel. Experiments showed that the N{sub 2}O emission can be reduced by 90% or more by this technique. The resulting N{sub 2}O emission was principally a function of the gas temperature achieved in the afterburner and independent of afterburning fuel, but the amount of air in the combustion gases frommore » the primary combustion also influences the results. No negative effects on sulfur capture or on NO or CO emissions were recorded. In the experiments, the primary cyclone of the fluidized bed boiler was used for afterburning. If afterburning is implemented in a plant optimized for this purpose, an amount of secondary fuel corresponding to 10% of the total energy input should remove practically all N{sub 2}O. During the present experiments the secondary fuel consumption was greater than 10% of the total energy input due to various losses.« less

Mass impacts on fuel economies of conventional vs. hybrid electric vehicles.

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

An, F.; Santini, D. J.; Energy Systems

2004-01-01

The strong correlation between vehicle weight and fuel economy for conventional vehicles (CVs) is considered common knowledge, and the relationship of mass reduction to fuel consumption reduction for conventional vehicles (CVs) is often cited without separating effects of powertrain vs. vehicle body (glider), nor on the ground of equivalent vehicle performance level. This paper challenges the assumption that this relationship is easily summarized. Further, for hybrid electric vehicles (HEVs) the relationship between mass, performance and fuel consumption is not the same as for CVs, and vary with hybrid types. For fully functioning (all wheel regeneration) hybrid vehicles, where battery packmore » and motor(s) have enough power and energy storage, a very large fraction of kinetic energy is recovered and engine idling is effectively eliminated. This paper assesses two important impacts of shifting from conventional to hybrid vehicles in terms of the mass vs. fuel economy relationship - (1) significant improvements in fuel economy with little or no change in mass, and (2) once a switch to hybrid powertrains has been made, the effectiveness of mass reduction in improving fuel economy will be diminished relative to conventional vehicles. In this paper, we discuss vehicle tractive load breakdowns and impacts of hybridization on vehicle efficiency, discuss capture of kinetic energy by conversion to electrical energy via regenerative braking, assess benefits of shutting off the engine when the vehicle does not require power, and investigate energy losses associated with vehicle mass.« less

Cultivation and Characterization of Cynara Cardunculus for Solid Biofuels Production in the Mediterranean Region

PubMed Central

Grammelis, Panagiotis; Malliopoulou, Anastasia; Basinas, Panagiotis; Danalatos, Nicholas G.

2008-01-01

Technical specifications of solid biofuels are continuously improved towards the development and promotion of their market. Efforts in the Greek market are limited, mainly due to the climate particularity of the region, which hinders the growth of suitable biofuels. Taking also into account the increased oil prices and the high inputs required to grow most annual crops in Greece, cardoon (Cynara cardunculus L.) is now considered the most important and promising sources for solid biofuel production in Greece in the immediate future. The reason is that cardoon is a perennial crop of Mediterranean origin, well adapted to the xerothermic conditions of southern Europe, which can be utilized particularly for solid biofuel production. This is due to its minimum production cost, as this perennial weed may perform high biomass productivity on most soils with modest or without any inputs of irrigation and agrochemicals. Within this framework, the present research work is focused on the planning and analysis of different land use scenarios involving this specific energy crop and the combustion behaviour characterization for the solid products. Such land use scenarios are based on quantitative estimates of the crop'sproduction potential under specific soil-climatic conditions as well as the inputs required for its realization in comparison to existing conventional crops. Concerning its decomposition behaviour, devolatilisation and char combustion tests were performed in a non-isothermal thermogravimetric analyser (TA Q600). A kinetic analysis was applied and accrued results were compared with data already available for other lignocellulosic materials. The thermogravimetric analysis showed that the decomposition process of cardoon follows the degradation of other lignocellulosic fuels, meeting high burnout rates. This research work concludes that Cynara cardunculus, under certain circumstances, can be used as a solid biofuel of acceptable quality. PMID:19325802

Fuels and Combustion Technologies for Aerospace Propulsion

DTIC Science & Technology

2016-09-01

20 °C) has a large effect on the extent of oxygen consumption . Increasing the JFTOT set point temperature normally results in increases in deposition...kinetics. Thus, the effect of the extent of oxygen consumption and temperature on deposition rates needs further study under JFTOT conditions to better...by 60 to 85 °C. Several fuels were tested at varying set point temperatures with complete oxygen consumption observed for all fuels by 320 °C; a wide

Measured Laboratory and In-Use Fuel Economy Observed over Targeted Drive Cycles for Comparable Hybrid and Conventional Package Delivery Vehicles

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

Lammert, M. P.; Walkowicz, K.; Duran, A.

2012-10-01

In-use and laboratory-derived fuel economies were analyzed for a medium-duty hybrid electric drivetrain with 'engine off at idle' capability and a conventional drivetrain in a typical commercial package delivery application. Vehicles studied included eleven 2010 Freightliner P100H hybrids in service at a United Parcel Service facility in Minneapolis during the first half of 2010. The hybrids were evaluated for 18 months against eleven 2010 Freightliner P100D diesels at the same facility. Both vehicle groups use the same 2009 Cummins ISB 200-HP engine. In-use fuel economy was evaluated using UPS's fueling and mileage records, periodic ECM image downloads, and J1939 CANmore » bus recordings during the periods of duty cycle study. Analysis of the in-use fuel economy showed 13%-29% hybrid advantage depending on measurement method, and a delivery route assignment analysis showed 13%-26% hybrid advantage on the less kinetically intense original diesel route assignments and 20%-33% hybrid advantage on the more kinetically intense original hybrid route assignments. Three standardized laboratory drive cycles were selected that encompassed the range of real-world in-use data. The hybrid vehicle demonstrated improvements in ton-mi./gal fuel economy of 39%, 45%, and 21% on the NYC Comp, HTUF Class 4, and CARB HHDDT test cycles, respectively.« less

Sampling, characterisation and processing of solid recovered fuel production from municipal solid waste: An Italian plant case study.

PubMed

Ranieri, Ezio; Ionescu, Gabriela; Fedele, Arcangela; Palmieri, Eleonora; Ranieri, Ada Cristina; Campanaro, Vincenzo

2017-08-01

This article presents the classification of solid recovered fuel from the Massafra municipal solid waste treatment plant in Southern Italy in compliancy with the EN 15359 standard. In order to ensure the reproducibility of this study, the characterisation methods of waste input and output flow, the mechanical biological treatment line scheme and its main parameters for each stage of the processing chain are presented in details, together with the research results in terms of mass balance and derived fuel properties. Under this study, only 31% of refused municipal solid waste input stream from mechanical biological line was recovered as solid recovered fuel with a net heating value (NC=HV) average of 15.77 MJ kg -1 ; chlorine content average of 0.06% on a dry basis; median of mercury <0.0064 mg MJ -1 and 80th percentile <0.0068 mg MJ -1 . The solid recovered fuel produced meets the European Union standard requirements and can be classified with the class code: Net heating value (3); chlorine (1); mercury (1).

ALTERNATIVE AVIATION FUELS FOR USE IN MILITARY APUS AND ENGINES VERSATILE AFFORDABLE ADVANCED TURBINE ENGINE (VAATE), PHASE II AND III. Delivery Order 0007: Alternative Aviation Fuels for Use in Military Auxiliary Power Units (APUs) and Engines

DTIC Science & Technology

2017-06-03

used and the test cell had been thoroughly purged of the previous fuel, and to provide fuel properties needed to run the test. Posttest fuel samples...altitude hot day generator load. All tests were run at actual engine conditions (not scaled). Fuel flows were adjusted to provide a constant heat input...blends had slightly higher temperatures at the blade tip location and slightly lower temperatures at the blade hub location, but these differences are

Experimental and numerical studies of burning velocities and kinetic modeling for practical and surrogate fuels

NASA Astrophysics Data System (ADS)

Zhao, Zhenwei

To help understand the fuel oxidation process in practical combustion environments, laminar flame speeds and high temperature chemical kinetic models were studied for several practical fuels and "surrogate" fuels, such as propane, dimethyl ether (DME), and primary reference fuel (PRF) mixtures, gasoline and n-decane. The PIV system developed for the present work is described. The general principles for PIV measurements are outlined and the specific considerations are also reported. Laminar flame speeds were determined for propane/air over a range of equivalence ratios at initial temperature of 298 K, 500 K and 650 K and atmospheric pressure. Several data sets for propane/air laminar flame speeds with N 2 dilution are also reported. These results are compared to the literature data collected at the same conditions. The propane flame speed is also numerically calculated with a detailed kinetic model and multi component diffusion, including Soret effects. This thesis also presents experimentally determined laminar flame speeds for primary reference fuel (PRF) mixtures of n-heptane/iso-octane and real gasoline fuel at different initial temperature and at atmospheric pressure. Nitrogen dilution effects on the laminar flame speed are also studied for selected equivalence ratios at the same conditions. A minimization of detailed kinetic model for PRF mixtures on laminar flame speed conditions was performed and the measured flame speeds were compared with numerical predictions using this model. The measured laminar flame speeds of n-decane/air mixtures at 500 K and at atmospheric pressure with and without dilution were determined. The measured flame speeds are significantly different that those predicted using existing published kinetic models, including a model validated previously against high temperature data from flow reactor, jet-stirred reactor, shock tube ignition delay, and burner stabilized flame experiments. A significant update of this model is described which continues to predict the earlier validation experiments as well as the newly acquired laminar flame speed data and other recently published shock tube ignition delay measurements. A high temperature decomposition and oxidation model based on a hierarchical nature of reacting systems to reflect the new development in the small molecule and radical kinetics and thermochemistry and to evaluate recent measurements of DME laminar flame speeds is developed. The, thermal decomposition of DME was studied theoretically by using the RRKM/master equation approach and the high temperature model was then compared with the literature experimental data. The new model predicts well high temperature flow reactor data, high temperature shock tube ignition delays, and the species profiles from the burner-stabilized flames. Predictions of laminar flame speed and jet-stirred reactor data also reasonably agree with the available experimental data. The remaining uncertainties that need to be addressed for further model improvement will also be discussed. This thesis also presents a novel temperature-dependent feature sensitivity analysis methodology for combustion modeling. The obtained information is demonstrated to be of critical relevance in optimizing complex reaction schemes against multiple experimental targets. Applications of the presented approach are not limited to sensitivities with respect to reaction rate coefficients; the method can also be used to investigate any temperature-dependent property of interest (such as binary diffusion coefficients). This application is also demonstrated in this thesis.

Robust fuel- and time-optimal control of uncertain flexible space structures

NASA Technical Reports Server (NTRS)

Wie, Bong; Sinha, Ravi; Sunkel, John; Cox, Ken

1993-01-01

The problem of computing open-loop, fuel- and time-optimal control inputs for flexible space structures in the face of modeling uncertainty is investigated. Robustified, fuel- and time-optimal pulse sequences are obtained by solving a constrained optimization problem subject to robustness constraints. It is shown that 'bang-off-bang' pulse sequences with a finite number of switchings provide a practical tradeoff among the maneuvering time, fuel consumption, and performance robustness of uncertain flexible space structures.

Inhibited proton transfer enhances Au-catalyzed CO2-to-fuels selectivity.

PubMed

Wuttig, Anna; Yaguchi, Momo; Motobayashi, Kenta; Osawa, Masatoshi; Surendranath, Yogesh

2016-08-09

CO2 reduction in aqueous electrolytes suffers efficiency losses because of the simultaneous reduction of water to H2 We combine in situ surface-enhanced IR absorption spectroscopy (SEIRAS) and electrochemical kinetic studies to probe the mechanistic basis for kinetic bifurcation between H2 and CO production on polycrystalline Au electrodes. Under the conditions of CO2 reduction catalysis, electrogenerated CO species are irreversibly bound to Au in a bridging mode at a surface coverage of ∼0.2 and act as kinetically inert spectators. Electrokinetic data are consistent with a mechanism of CO production involving rate-limiting, single-electron transfer to CO2 with concomitant adsorption to surface active sites followed by rapid one-electron, two-proton transfer and CO liberation from the surface. In contrast, the data suggest an H2 evolution mechanism involving rate-limiting, single-electron transfer coupled with proton transfer from bicarbonate, hydronium, and/or carbonic acid to form adsorbed H species followed by rapid one-electron, one-proton, or H recombination reactions. The disparate proton coupling requirements for CO and H2 production establish a mechanistic basis for reaction selectivity in electrocatalytic fuel formation, and the high population of spectator CO species highlights the complex heterogeneity of electrode surfaces under conditions of fuel-forming electrocatalysis.

Analysis of the FeCrAl Accident Tolerant Fuel Concept Benefits during BWR Station Blackout Accidents

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

Robb, Kevin R

2015-01-01

Iron-chromium-aluminum (FeCrAl) alloys are being considered for fuel concepts with enhanced accident tolerance. FeCrAl alloys have very slow oxidation kinetics and good strength at high temperatures. FeCrAl could be used for fuel cladding in light water reactors and/or as channel box material in boiling water reactors (BWRs). To estimate the potential safety gains afforded by the FeCrAl concept, the MELCOR code was used to analyze a range of postulated station blackout severe accident scenarios in a BWR/4 reactor employing FeCrAl. The simulations utilize the most recently known thermophysical properties and oxidation kinetics for FeCrAl. Overall, when compared to the traditionalmore » Zircaloy-based cladding and channel box, the FeCrAl concept provides a few extra hours of time for operators to take mitigating actions and/or for evacuations to take place. A coolable core geometry is retained longer, enhancing the ability to stabilize an accident. Finally, due to the slower oxidation kinetics, substantially less hydrogen is generated, and the generation is delayed in time. This decreases the amount of non-condensable gases in containment and the potential for deflagrations to inhibit the accident response.« less

Adsorption potential of a modified activated carbon for the removal of nitrogen containing compounds from model fuel

NASA Astrophysics Data System (ADS)

Anisuzzaman, S. M.; Krishnaiah, D.; Alfred, D.

2018-02-01

The purpose of this study is to find the effect of the modified activated carbon (MAC) on the adsorption activity for nitrogen containing compounds (NCC) removal from model fuel. Modification of commercial activated carbon (AC) involved impregnation with different ratios of sulfuric acid solution. Pseudo-first and pseudo-second order kinetic models were applied to study the adsorption kinetics, while the adsorption isotherms were used for the evaluation of equilibrium data. All of the experimental data were analyzed using ultraviolet-visible spectroscopy after adsorption experiment between different concentration dosage of adsorbent and model fuel. It has been found that adsorption of NCC by MAC was best fit is the Langmuir isotherm for quinoline (QUI) and Freundlich isotherm for indole (IND) with a maximum adsorption capacity of 0.13 mg/g and 0.16 mg/g respectively. Based on the experimental data, pseudo-first order exhibited the best fit for QUI with linear regression (R2) ranges from 0.0.9777 to 0.9935 and pseudo-second order exhibited the best fit for IND with linear regression (R2) ranges from 0.9701 to 0.9962. From the adsorption isotherm and kinetic studies result proven that commercial AC shows great potential in removing nitrogen.

Potential alternative fuel sources for agricultural crops and plant components

USDA-ARS?s Scientific Manuscript database

The changing landscape of agricultural production is placing unprecedented demands on farmers as they face increasing global competition and greater natural resource conservation challenges. However, shrinking profit margins due to increasing input costs, particularly of fuel and fertilizer, can res...

Dynamic Weakening (Extinction) of Simple Hydrocarbon-air Counterflow Diffusion Flames by Oscillatory Inflows

NASA Technical Reports Server (NTRS)

Pellett, G.; Kabaria, A.; Panigrahi, B.; Sammons, K.; Convery, J.; Wilson, L.

2005-01-01

This study of laminar non-premixed HC-air flames used an Oscillatory-input Opposed Jet Burner (OOJB) system developed from a previously well-characterized 7.2-mm Pyrex-nozzle OJB system. Over 600 dynamic Flame Strength (FS) measurements were obtained on unanchored (free-floating) laminar Counterflow Diffusion Flames (CFDF's). Flames were stabilized using plug inflows having steady-plus-sinusoidal axial velocities of varied magnitude, frequency, f, up to 1600 Hz, and phase angle from 0 (most data) to 360 degrees. Dynamic FS is defined as the maximum average air input velocity (U(sub air), at nozzle exit) a CFDF can sustain before strain-induced extinction occurs due to prescribed oscillatory peak-to-peak velocity inputs superimposed on steady inputs. Initially, dynamic flame extinction data were obtained at low f, and were supported by 25-120 Hz Hot-Wire cold-flow velocity data at nozzle exits. Later, expanded extinction data were supported by 4-1600 Hz Probe Microphone (PM) pk/pk P data at nozzle exits. The PM data were first obtained without flows, and later with cold stagnating flows, which better represent speaker-diaphragm dynamics during runs. The PM approach enabled characterizations of Dynamic Flame Weakening (DFW) of CFDF's from 8 to 1600 Hz. DFW was defined as % decrease in FS per Pascal of pk/pk P oscillation, namely, DFW = - 100 d(U(sub air) / U(sub air),0Hz) / d(pkpk P). The linear normalization with respect to acoustic pressure magnitude (and steady state (SS) FS) led to a DFW unaffected by strong internal resonances. For the C2H4/N2-air system, from 8 to 20 Hz, DFW is constant at 8.52 plus or minus 0.20 (% weakening)/Pa. This reflects a quasi-steady flame response to an acoustically induced dU(sub air)/dP. Also, it is surprisingly independent of C2H4/N2 mole fraction due to normalization by SS FS. From 20 to approximately 150 Hz, the C2H4/N2 air-flames weakened progressively less, with an inflection at approximately 70 Hz, and became asymptotically insensitive (DFW approximately 0) at approximately 300 Hz, which continued to 1600 Hz. The DFW of CH4-air flames followed a similar pattern, but showed much greater weakening than C2H4/N2-air flames; i.e., the quasi-steady DFW (8 to approximately 15 Hz) was 44.3 %/Pa, or approximately 5x larger, even though the 0 Hz (SS) FS was only 3.0 x smaller. The quasi-steady DFW's of C3H8-air and C2H6-air were intermediate at 34.8 and 20.9 %Pa, respectively. The DFW profiles of all four fuels, at various frequencies, correlated well but non-linearly with respective SS FS's. Notably, the DFW profile for C3H8 air fell more rapidly in the range greater than 15 to 60 Hz, compared with the 1- and 2-carbon fuels. This may indicate a shift in chemical kinetics, and/or O2 transport to a flame that moved closer to the fuel-side. In conclusion, Dynamic Flame Weakening limits appear significant and unique for each fuel, and correlate closely, but non-linearly, with Steady-State Flame Strengths at any given frequency. For reasons unknown, the dynamic flames didn't weaken more at intermediate frequencies (e.g., at 20-50 Hz) than they did at low frequencies (less than 15 Hz), where quasi-steady weakening appears to dominate. Quasi-steady flame weakening ostensibly represents a transient input strain rate maximum that just exceeds the steady-state strain-rate-limited extinction limit for a few cycles. Clearly, further detailed mechanistic understanding is needed in the fall-off region.

Advanced Fuel Development and Fuel Combustion

DTIC Science & Technology

1997-08-01

development of supercritical fluid extraction techniques for gums and deposits; 5) generation of homogeneous, liquid phase kinetic data on the consumption...Gas Chromatography 12 TASK NO. 09: Assessment of the Friction Characteristics and Scuffing Potential of a Helicopter Transmission Lubricant...stations can easily be contaminated by personnel improperly disposing of other materials such as mineral oil lubricants, silicone oils, hydraulic fluids

Supercritical Fuel Pyrolysis

DTIC Science & Technology

2007-05-28

be supercritical fluids . These temperatures and pressures will also cause the fuel to undergo pyrolytic reactions, which have the potential of forming...physical properties, supercritical fluids have highly variable densities, no surface tension, and transport properties (i.e., mass, energy, and momentum...are very dependent on pressure, chemical reaction rates in supercritical fluids can be highly pressure-dependent [6-9]. The kinetic reaction rate

Methods for using novel cathode and electrolyte materials for solid oxide fuel cells and ion transport membranes

DOEpatents

Jacobson, Allan J.; Wang, Shuangyan; Kim, Gun Tae

2016-01-12

Methods using novel cathode, electrolyte and oxygen separation materials operating at intermediate temperatures for use in solid oxide fuel cells and ion transport membranes include oxides with perovskite related structures and an ordered arrangement of A site cations. The materials have significantly faster oxygen kinetics than in corresponding disordered perovskites.

Cathode and electrolyte materials for solid oxide fuel cells and ion transport membranes

DOEpatents

Jacobson, Allan J; Wang, Shuangyan; Kim, Gun Tae

2014-01-28

Novel cathode, electrolyte and oxygen separation materials are disclosed that operate at intermediate temperatures for use in solid oxide fuel cells and ion transport membranes based on oxides with perovskite related structures and an ordered arrangement of A site cations. The materials have significantly faster oxygen kinetics than in corresponding disordered perovskites.

Integrated Testing, Simulation and Analysis of Electric Drive Options for Medium-Duty Parcel Delivery Vehicles: Preprint

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

Ramroth, L. A.; Gonder, J.; Brooker, A.

2012-09-01

The National Renewable Energy Laboratory verified diesel-conventional and diesel-hybrid parcel delivery vehicle models to evaluate petroleum reduction and cost implications of plug-in hybrid gasoline and diesel variants. These variants are run on a field-data-derived design matrix to analyze the effects of drive cycle, distance, battery replacements, battery capacity, and motor power on fuel consumption and lifetime cost. Two cost scenarios using fuel prices corresponding to forecasted highs for 2011 and 2030 and battery costs per kilowatt-hour representing current and long-term targets compare plug-in hybrid lifetime costs with diesel conventional lifetime costs. Under a future cost scenario of $100/kWh battery energymore » and $5/gal fuel, plug-in hybrids are cost effective. Assuming a current cost of $700/kWh and $3/gal fuel, they rarely recoup the additional motor and battery cost. The results highlight the importance of understanding the application's drive cycle, daily driving distance, and kinetic intensity. For instances in the current-cost scenario where the additional plug-in hybrid cost is regained in fuel savings, the combination of kinetic intensity and daily distance travelled does not coincide with the usage patterns observed in the field data. If the usage patterns were adjusted, the hybrids could become cost effective.« less

Probing the antagonistic effect of toluene as a component in surrogate fuel models at low temperatures and high pressures. A case study of toluene/dimethyl ether mixtures

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

Zhang, Yingjia; Somers, Kieran P.; Mehl, Marco

There is a dearth of experimental data which examine the fundamental low-temperature ignition (T < 900 K) behavior of toluene resulting in a lack of data for the construction, validation, and interpretation of chemical kinetic models for commercial fuels. In order to gain a better understanding of its combustion chemistry, dimethyl ether (DME) has been used as a radical initiator to induce ignition in this highly knock resistant aromatic, and its influence on the combustion of toluene ignition was studied in both shock tube and rapid compression machines as a function of temperature (624–1459 K), pressure (20–40 atm), equivalence ratiomore » (0.5–2.0), and blending ratio (100% toluene, 76% toluene (76T/24D), 58% toluene (58T/42D), 26% toluene (26T/74D) and 100% DME). We use several literature chemical kinetic models to interpret our experimental results. For mixtures containing high concentrations of toluene at low-temperatures none of these are capable of reproducing experiment. This then implies an incomplete understanding of the low-temperature oxidation pathways which control its ignition in our experimental reactors, and by extension, in spark- (SI) and compression-ignition (CI) engines, and an updated detailed chemical kinetic model is presented for engineering applications. Model analyses indicate that although the initial fate of the fuel is dominated by single-step H-atom abstraction reactions from both the benzylic and phenylic sites, the subsequent fate of the allylic and vinylic radicals formed is much more complex. Further experimental and theoretical endeavors are required to gain a holistic qualitative and quantitative chemical kinetics based understanding of the combustion of pure toluene, toluene blends, and commercial fuels containing other aromatic components, at temperatures of relevance to SI and CI engines.« less

Probing the antagonistic effect of toluene as a component in surrogate fuel models at low temperatures and high pressures. A case study of toluene/dimethyl ether mixtures

DOE PAGES

Zhang, Yingjia; Somers, Kieran P.; Mehl, Marco; ...

2016-07-12

There is a dearth of experimental data which examine the fundamental low-temperature ignition (T < 900 K) behavior of toluene resulting in a lack of data for the construction, validation, and interpretation of chemical kinetic models for commercial fuels. In order to gain a better understanding of its combustion chemistry, dimethyl ether (DME) has been used as a radical initiator to induce ignition in this highly knock resistant aromatic, and its influence on the combustion of toluene ignition was studied in both shock tube and rapid compression machines as a function of temperature (624–1459 K), pressure (20–40 atm), equivalence ratiomore » (0.5–2.0), and blending ratio (100% toluene, 76% toluene (76T/24D), 58% toluene (58T/42D), 26% toluene (26T/74D) and 100% DME). We use several literature chemical kinetic models to interpret our experimental results. For mixtures containing high concentrations of toluene at low-temperatures none of these are capable of reproducing experiment. This then implies an incomplete understanding of the low-temperature oxidation pathways which control its ignition in our experimental reactors, and by extension, in spark- (SI) and compression-ignition (CI) engines, and an updated detailed chemical kinetic model is presented for engineering applications. Model analyses indicate that although the initial fate of the fuel is dominated by single-step H-atom abstraction reactions from both the benzylic and phenylic sites, the subsequent fate of the allylic and vinylic radicals formed is much more complex. Further experimental and theoretical endeavors are required to gain a holistic qualitative and quantitative chemical kinetics based understanding of the combustion of pure toluene, toluene blends, and commercial fuels containing other aromatic components, at temperatures of relevance to SI and CI engines.« less

Kinetics and mechanism of soot formation in hydrocarbon combustion

NASA Technical Reports Server (NTRS)

Frenklach, Michael

1990-01-01

The focus of this work was on kinetic modeling. The specific objectives were: detailed modeling of soot formation in premixed flames, elucidation of the effects of fuel structure on the pathway to soot, and the development of a numerical technique for accurate modeling of soot particle coagulation and surface growth. Those tasks were successfully completed and are briefly summarized.

40 CFR Table 1 to Subpart Uuu of... - Metal HAP Emission Limits for Catalytic Cracking Units

Code of Federal Regulations, 2010 CFR

2010-07-01

... heat boiler in which you burn auxiliary or in supplemental liquid or solid fossil fuel, the incremental... thermal units (lb/million Btu) of heat input attributable to the liquid or solid fossil fuel; and the... supplemental liquid or solid fossil fuel, the incremental rate of PM must not exceed 43.0 g/GJ (0.10 lb/million...

40 CFR Table 1 to Subpart Uuu of... - Metal HAP Emission Limits for Catalytic Cracking Units

Code of Federal Regulations, 2011 CFR

2011-07-01

... heat boiler in which you burn auxiliary or in supplemental liquid or solid fossil fuel, the incremental... thermal units (lb/million Btu) of heat input attributable to the liquid or solid fossil fuel; and the... supplemental liquid or solid fossil fuel, the incremental rate of PM must not exceed 43.0 g/GJ (0.10 lb/million...

Chemical Characterization and Toxicological Evaluation of Airborne Mixtures; A System for Generating Mixed Aerosols from a Petroleum Based Liquid and a Fine Solid

DTIC Science & Technology

1989-03-01

diesel fuel aerasol generator described previously at the temperatures used with the diese .! fuel was found to be unsatisfactamy. The ecut temperature was...generator input. Leaving the tube in place with fuel flow stopped hat caused blockage of tho delivery tube. This is apparently the result of pyrolysis of

Fuels and fire in land-management planning. Part 1. Forest-fuel classification.

Treesearch

Wayne G. Maxwell; Franklin R. Ward

1981-01-01

This report describes a way to collect and classify the total fuel complex within a planning area. The information can be used as input for appraising and rating probable fire behavior and calculating expected costs and losses from various land uses and management alternatives, reported separately as Part 2 and Part 3 of this series. This total package can be used...

Fuels and fire in land-management planning: Part 3. Costs and losses for management options.

Treesearch

Wayne G. Maxwell; David V. Sandberg; Franklin R. Ward

1983-01-01

An approach is illustrated for computing expected costs of fire protection; fuel treatment; fire suppression; damage values; and percent of area lost to wildfire for a management or rotation cycle. Input is derived from Part 1, a method for collecting and classifying the total fuel complex, and Part 2, a method for appraising and rating probable fire behavior. This...

An overview of the fuel characteristic classification system—quantifying, classifying, and creating fuelbeds for resource planning.

Treesearch

Roger D. Ottmar; David V. Sandberg; Cynthia L. Riccardi; Susan J. Prichard

2007-01-01

We present an overview of the Fuel Characteristic Classification System (FCCS), a tool that enables land managers, regulators, and scientists to create and catalog fuelbeds and to classify those fuelbeds for their capacity to support fire and consume fuels. The fuelbed characteristics and fire classification from this tool will provide inputs for current and future...

Direct fired reciprocating engine and bottoming high temperature fuel cell hybrid

DOEpatents

Geisbrecht, Rodney A [New Alexandria, PA; Holcombe, Norman T [McMurray, PA

2006-02-07

A system of a fuel cell bottoming an internal combustion engine. The engine exhaust gas may be combined in varying degrees with air and fed as input to a fuel cell. Reformer and oxidizers may be combined with heat exchangers to accommodate rich and lean burn conditions in the engine in peaking and base load conditions without producing high concentrations of harmful emissions.

Combustion-derived substances in deep basins of Puget Sound: historical inputs from fossil fuel and biomass combustion.

PubMed

Kuo, Li-Jung; Louchouarn, Patrick; Herbert, Bruce E; Brandenberger, Jill M; Wade, Terry L; Crecelius, Eric

2011-04-01

Reconstructions of 250 years historical inputs of two distinct types of black carbon (soot/graphitic black carbon (GBC) and char-BC) were conducted on sediment cores from two basins of the Puget Sound, WA. Signatures of polycyclic aromatic hydrocarbons (PAHs) were also used to support the historical reconstructions of BC to this system. Down-core maxima in GBC and combustion-derived PAHs occurred in the 1940s in the cores from the Puget Sound Main Basin, whereas in Hood Canal such peak was observed in the 1970s, showing basin-specific differences in inputs of combustion byproducts. This system showed relatively higher inputs from softwood combustion than the northeastern U.S. The historical variations in char-BC concentrations were consistent with shifts in climate indices, suggesting an influence of climate oscillations on wildfire events. Environmental loading of combustion byproducts thus appears as a complex function of urbanization, fuel usage, combustion technology, environmental policies, and climate conditions. Copyright © 2010 Elsevier Ltd. All rights reserved.

Biogas production from rice straw by solid-state anaerobic digestion

NASA Astrophysics Data System (ADS)

Shitophyta, Lukhi Mulia; Budiyono, Fuadi, Ahmad M.

2015-12-01

Biogas production from lignocellulosic biomass can be used as an alternative fuel to replace fossil fuels. Lignocellulose can be obtained from agricultural crop residues, such as rice straw. The aims of this study were to determine the effects of F/I ratio, total solid content, and physical pretreatment on biogas production by solid-state anaerobic digestion. The kinetics of biogas production were also examined in this study. The results showed that the biogas yield decreased by the increasing of F/I ratio. Meanwhile, the increase TS content of 22% to 24% also decreased the biogas yield. Physical pretreatment had no a significant effect on biogas yield (p > 0.05). The highest biogas yield of 248.4 L/kg VS was obtained at an F/I ratio of 2, TS content of 22%, and particle size of 2 mm. The kinetics of biogas production from rice straw followed the first-order kinetic model with the highest rate constant (k) of 0.0861 day-1.

Specificity Switching Pathways in Thermal and Mass Evaporation of Multicomponent Hydrocarbon Droplets: A Mesoscopic Observation.

PubMed

Nasiri, Rasoul; Luo, Kai H

2017-07-10

For well over one century, the Hertz-Knudsen equation has established the relationship between thermal - mass transfer coefficients through a liquid - vapour interface and evaporation rate. These coefficients, however, have been often separately estimated for one-component equilibrium systems and their simultaneous influences on evaporation rate of fuel droplets in multicomponent systems have yet to be investigated at the atomic level. Here we first apply atomistic simulation techniques and quantum/statistical mechanics methods to understand how thermal and mass evaporation effects are controlled kinetically/thermodynamically. We then present a new development of a hybrid method of quantum transition state theory/improved kinetic gas theory, for multicomponent hydrocarbon systems to investigate how concerted-distinct conformational changes of hydrocarbons at the interface affect the evaporation rate. The results of this work provide an important physical concept in fundamental understanding of atomistic pathways in topological interface transitions of chain molecules, resolving an open problem in kinetics of fuel droplets evaporation.

Pressure dependence of the oxygen reduction reaction at the platinum microelectrode/nafion interface - Electrode kinetics and mass transport

NASA Technical Reports Server (NTRS)

Parthasarathy, Arvind; Srinivasan, Supramaniam; Appleby, A. J.; Martin, Charles R.

1992-01-01

The investigation of oxygen reduction kinetics at the platinum/Nafion interface is of great importance in the advancement of proton-exchange-membrane (PEM) fuel-cell technology. This study focuses on the dependence of the oxygen reduction kinetics on oxygen pressure. Conventional Tafel analysis of the data shows that the reaction order with respect to oxygen is unity at both high and low current densities. Chronoamperometric measurements of the transport parameters for oxygen in Nafion show that oxygen dissolution follows Henry's isotherm. The diffusion coefficient of oxygen is invariant with pressure; however, the diffusion coefficient for oxygen is lower when air is used as the equilibrating gas as compared to when oxygen is used for equilibration. These results are of value in understanding the influence of O2 partial pressure on the performance of PEM fuel cells and also in elucidating the mechanism of oxygen reduction at the platinum/Nafion interface.

Process for hydrocracking carbonaceous material to provide fuels or chemical feed stock

DOEpatents

Duncan, Dennis A.

1980-01-01

A process is disclosed for hydrocracking coal or other carbonaceous material to produce various aromatic hydrocarbons including benzene, toluene, xylene, ethylbenzene, phenol and cresols in variable relative concentrations while maintaining a near constant maximum temperature. Variations in relative aromatic concentrations are achieved by changing the kinetic severity of the hydrocracking reaction by altering the temperature profile up to and quenching from the final hydrocracking temperature. The relative concentration of benzene to the alkyl and hydroxyl aromatics is increased by imposing increased kinetic severity above that corresponding to constant heating rate followed by immediate quenching at about the same rate to below the temperature at which dehydroxylation and dealkylation reactions appreciably occur. Similarly phenols, cresols and xylenes are produced in enhanced concentrations by adjusting the temperature profile to provide a reduced kinetic severity relative to that employed when high benzene concentrations are desired. These variations in concentrations can be used to produce desired materials for chemical feed stocks or for fuels.

Identification and temporal behavior of radical intermediates formed during the combustion and pyrolysis of gaseous fuels: Kinetic pathways to soot formation. Final performance report, July 1, 1994--June 30, 1997

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

Kern, R.D.

1998-09-01

The authors have developed software in-house to automate the processing of peak heights recorded from the shock tube: time-of-flight mass spectrometer (TOF) experiments in a format suitable for the modeling programs and have performed numerous ab initio calculations to provide energy barrier values and thermodynamic data for several key reactions in various reaction mechanisms. Each of the studies described here has contributed to the understanding of the detailed kinetics of the reactions of acyclic fuels, the thermal decompositions of aromatic ring compounds, the shock tube techniques dedicated to combustion science problems, and the role of theoretical chemistry in providing essentialmore » thermodynamic and kinetics information necessary for constructing plausible reaction mechanisms. The knowledge derived from these investigations is applicable not only to the area of pre-particle soot formation chemistry, but also to various incineration and coal pyrolysis problems.« less

Development of a modified independent parallel reactions kinetic model and comparison with the distributed activation energy model for the pyrolysis of a wide variety of biomass fuels.

PubMed

Sfakiotakis, Stelios; Vamvuka, Despina

2015-12-01

The pyrolysis of six waste biomass samples was studied and the fuels were kinetically evaluated. A modified independent parallel reactions scheme (IPR) and a distributed activation energy model (DAEM) were developed and their validity was assessed and compared by checking their accuracy of fitting the experimental results, as well as their prediction capability in different experimental conditions. The pyrolysis experiments were carried out in a thermogravimetric analyzer and a fitting procedure, based on least squares minimization, was performed simultaneously at different experimental conditions. A modification of the IPR model, considering dependence of the pre-exponential factor on heating rate, was proved to give better fit results for the same number of tuned kinetic parameters, comparing to the known IPR model and very good prediction results for stepwise experiments. Fit of calculated data to the experimental ones using the developed DAEM model was also proved to be very good. Copyright © 2015 Elsevier Ltd. All rights reserved.

Revisiting kinetic boundary conditions at the surface of fuel droplet hydrocarbons: An atomistic computational fluid dynamics simulation

PubMed Central

Nasiri, Rasoul

2016-01-01

The role of boundary conditions at the interface for both Boltzmann equation and the set of Navier-Stokes equations have been suggested to be important for studying of multiphase flows such as evaporation/condensation process which doesn’t always obey the equilibrium conditions. Here we present aspects of transition-state theory (TST) alongside with kinetic gas theory (KGT) relevant to the study of quasi-equilibrium interfacial phenomena and the equilibrium gas phase processes, respectively. A two-state mathematical model for long-chain hydrocarbons which have multi-structural specifications is introduced to clarify how kinetics and thermodynamics affect evaporation/condensation process at the surface of fuel droplet, liquid and gas phases and then show how experimental observations for a number of n-alkane may be reproduced using a hybrid framework TST and KGT with physically reasonable parameters controlling the interface, gas and liquid phases. The importance of internal activation dynamics at the surface of n-alkane droplets is established during the evaporation/condensation process. PMID:27215897

Long term deposit formation in aviation turbine fuel at elevated temperature

NASA Technical Reports Server (NTRS)

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

1986-01-01

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

Analysis of electric drive technologies for transit applications : battery-electric, hybrid-electric, and fuel cells.

DOT National Transportation Integrated Search

2005-08-01

This report provides an overview of the current status of electric drive technologies for transit applications, covering battery-electric, hybrid-electric : and fuel cell buses. Based on input from the transit and electric drive industries, the analy...

A computer program (HEVSIM) for heavy duty vehicle fuel economy and performance simulation

DOT National Transportation Integrated Search

1981-09-01

This report presents a description of a vehicle simulation program, which can determine the fuel economy and performance of a specified motor vehicle over a defined route as it executes a given driving schedule. Vehicle input accommodated by HEVSIM i...

Applying an intelligent model and sensitivity analysis to inspect mass transfer kinetics, shrinkage and crust color changes of deep-fat fried ostrich meat cubes.

PubMed

Amiryousefi, Mohammad Reza; Mohebbi, Mohebbat; Khodaiyan, Faramarz

2014-01-01

The objectives of this study were to use image analysis and artificial neural network (ANN) to predict mass transfer kinetics as well as color changes and shrinkage of deep-fat fried ostrich meat cubes. Two generalized feedforward networks were separately developed by using the operation conditions as inputs. Results based on the highest numerical quantities of the correlation coefficients between the experimental versus predicted values, showed proper fitting. Sensitivity analysis results of selected ANNs showed that among the input variables, frying temperature was the most sensitive to moisture content (MC) and fat content (FC) compared to other variables. Sensitivity analysis results of selected ANNs showed that MC and FC were the most sensitive to frying temperature compared to other input variables. Similarly, for the second ANN architecture, microwave power density was the most impressive variable having the maximum influence on both shrinkage percentage and color changes. Copyright © 2013 Elsevier Ltd. All rights reserved.

Modeling fuel succession

USGS Publications Warehouse

Davis, Brett; Van Wagtendonk, Jan W.; Beck, Jen; van Wagtendonk, Kent A.

2009-01-01

Surface fuels data are of critical importance for supporting fire incident management, risk assessment, and fuel management planning, but the development of surface fuels data can be expensive and time consuming. The data development process is extensive, generally beginning with acquisition of remotely sensed spatial data such as aerial photography or satellite imagery (Keane and others 2001). The spatial vegetation data are then crosswalked to a set of fire behavior fuel models that describe the available fuels (the burnable portions of the vegetation) (Anderson 1982, Scott and Burgan 2005). Finally, spatial fuels data are used as input to tools such as FARSITE and FlamMap to model current and potential fire spread and behavior (Finney 1998, Finney 2006). The capture date of the remotely sensed data defines the period for which the vegetation, and, therefore, fuels, data are most accurate. The more time that passes after the capture date, the less accurate the data become due to vegetation growth and processes such as fire. Subsequently, the results of any fire simulation based on these data become less accurate as the data age. Because of the amount of labor and expense required to develop these data, keeping them updated may prove to be a challenge. In this article, we describe the Sierra Nevada Fuel Succession Model, a modeling tool that can quickly and easily update surface fuel models with a minimum of additional input data. Although it was developed for use by Yosemite, Sequoia, and Kings Canyon National Parks, it is applicable to much of the central and southern Sierra Nevada. Furthermore, the methods used to develop the model have national applicability.

Sensitivity analysis of FeCrAl cladding and U3Si2 fuel under accident conditions

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

Gamble, Kyle Allan Lawrence; Hales, Jason Dean

2016-08-01

The purpose of this milestone report is to highlight the results of sensitivity analyses performed on two accident tol- erant fuel concepts: U3Si2 fuel and FeCrAl cladding. The BISON fuel performance code under development at Idaho National Laboratory was coupled to Sandia National Laboratories’ DAKOTA software to perform the sensitivity analyses. Both Loss of Coolant (LOCA) and Station blackout (SBO) scenarios were analyzed using main effects studies. The results indicate that for FeCrAl cladding the input parameters with greatest influence on the output metrics of interest (fuel centerline temperature and cladding hoop strain) during the LOCA were the isotropic swellingmore » and fuel enrichment. For U3Si2 the important inputs were found to be the intergranular diffusion coefficient, specific heat, and fuel thermal conductivity. For the SBO scenario, Young’s modulus was found to be influential in FeCrAl in addition to the isotropic swelling and fuel enrichment. Contrarily to the LOCA case, the specific heat of U3Si2 was found to have no effect during the SBO. The intergranular diffusion coefficient and fuel thermal conductivity were still found to be of importance. The results of the sensitivity analyses have identified areas where further research is required including fission gas behavior in U3Si2 and irradiation swelling in FeCrAl. Moreover, the results highlight the need to perform the sensitivity analyses on full length fuel rods for SBO scenarios.« less

Analysis of transient fission gas behaviour in oxide fuel using BISON and TRANSURANUS

DOE PAGES

Barani, T.; Bruschi, E.; Pizzocri, D.; ...

2017-01-03

The modelling of fission gas behaviour is a crucial aspect of nuclear fuel analysis in view of the related effects on the thermo-mechanical performance of the fuel rod, which can be particularly significant during transients. Experimental observations indicate that substantial fission gas release (FGR) can occur on a small time scale during transients (burst release). To accurately reproduce the rapid kinetics of burst release in fuel performance calculations, a model that accounts for non-diffusional mechanisms such as fuel micro-cracking is needed. In this work, we present and assess a model for transient fission gas behaviour in oxide fuel, which ismore » applied as an extension of diffusion-based models to allow for the burst release effect. The concept and governing equations of the model are presented, and the effect of the newly introduced parameters is evaluated through an analytic sensitivity analysis. Then, the model is assessed for application to integral fuel rod analysis. The approach that we take for model assessment involves implementation in two structurally different fuel performance codes, namely, BISON (multi-dimensional finite element code) and TRANSURANUS (1.5D semi-analytic code). The model is validated against 19 Light Water Reactor fuel rod irradiation experiments from the OECD/NEA IFPE (International Fuel Performance Experiments) database, all of which are simulated with both codes. The results point out an improvement in both the qualitative representation of the FGR kinetics and the quantitative predictions of integral fuel rod FGR, relative to the canonical, purely diffusion-based models, with both codes. The overall quantitative improvement of the FGR predictions in the two codes is comparable. Furthermore, calculated radial profiles of xenon concentration are investigated and compared to experimental data, demonstrating the representation of the underlying mechanisms of burst release by the new model.« less

Diesel surrogate fuels for engine testing and chemical-kinetic modeling: Compositions and properties

DOE PAGES

Mueller, Charles J.; Cannella, William J.; Bays, J. Timothy; ...

2016-01-07

The primary objectives of this work were to formulate, blend, and characterize a set of four ultralow-sulfur diesel surrogate fuels in quantities sufficient to enable their study in single-cylinder-engine and combustion-vessel experiments. The surrogate fuels feature increasing levels of compositional accuracy (i.e., increasing exactness in matching hydrocarbon structural characteristics) relative to the single target diesel fuel upon which the surrogate fuels are based. This approach was taken to assist in determining the minimum level of surrogate-fuel compositional accuracy that is required to adequately emulate the performance characteristics of the target fuel under different combustion modes. For each of the fourmore » surrogate fuels, an approximately 30 L batch was blended, and a number of the physical and chemical properties were measured. In conclusion, this work documents the surrogate-fuel creation process and the results of the property measurements.« less

Diesel Surrogate Fuels for Engine Testing and Chemical-Kinetic Modeling: Compositions and Properties

PubMed Central

Mueller, Charles J.; Cannella, William J.; Bays, J. Timothy; Bruno, Thomas J.; DeFabio, Kathy; Dettman, Heather D.; Gieleciak, Rafal M.; Huber, Marcia L.; Kweon, Chol-Bum; McConnell, Steven S.; Pitz, William J.; Ratcliff, Matthew A.

2016-01-01

The primary objectives of this work were to formulate, blend, and characterize a set of four ultralow-sulfur diesel surrogate fuels in quantities sufficient to enable their study in single-cylinder-engine and combustion-vessel experiments. The surrogate fuels feature increasing levels of compositional accuracy (i.e., increasing exactness in matching hydrocarbon structural characteristics) relative to the single target diesel fuel upon which the surrogate fuels are based. This approach was taken to assist in determining the minimum level of surrogate-fuel compositional accuracy that is required to adequately emulate the performance characteristics of the target fuel under different combustion modes. For each of the four surrogate fuels, an approximately 30 L batch was blended, and a number of the physical and chemical properties were measured. This work documents the surrogate-fuel creation process and the results of the property measurements. PMID:27330248

Investigation of Coal-biomass Catalytic Gasification using Experiments, Reaction Kinetics and Computational Fluid Dynamics

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

Battaglia, Francine; Agblevor, Foster; Klein, Michael

A collaborative effort involving experiments, kinetic modeling, and computational fluid dynamics (CFD) was used to understand co-gasification of coal-biomass mixtures. The overall goal of the work was to determine the key reactive properties for coal-biomass mixed fuels. Sub-bituminous coal was mixed with biomass feedstocks to determine the fluidization and gasification characteristics of hybrid poplar wood, switchgrass and corn stover. It was found that corn stover and poplar wood were the best feedstocks to use with coal. The novel approach of this project was the use of a red mud catalyst to improve gasification and lower gasification temperatures. An important resultsmore » was the reduction of agglomeration of the biomass using the catalyst. An outcome of this work was the characterization of the chemical kinetics and reaction mechanisms of the co-gasification fuels, and the development of a set of models that can be integrated into other modeling environments. The multiphase flow code, MFIX, was used to simulate and predict the hydrodynamics and co-gasification, and results were validated with the experiments. The reaction kinetics modeling was used to develop a smaller set of reactions for tractable CFD calculations that represented the experiments. Finally, an efficient tool was developed, MCHARS, and coupled with MFIX to efficiently simulate the complex reaction kinetics.« less

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

Hu, Shenyang; Joshi, Vineet; Lavender, Curt A.

Experiments showed that recrystallization dramatically speeds up the gas bubble swelling kinetics in metallic UMo fuels. In this work a recrystallization model is developed to study the effect of microstructures and radiation conditions on recrystallization kinetics. The model integrates the rate theory of intra-granular gas bubble and interstitial loop evolution and a phase field model of recrystallization zone evolution. A fast passage method is employed to describe one dimensional diffusion of interstitials which have diffusivity several order magnitude larger than that of the fission gas Xe. With the model, the effect of grain sizes on recrystallization kinetics is simulated.

Comparison of detailed and reduced kinetics mechanisms of silane oxidation in the basis of detonation wave structure problem

NASA Astrophysics Data System (ADS)

Fedorov, A. V.; Tropin, D. A.; Fomin, P. A.

2018-03-01

The paper deals with the problem of the structure of detonation waves in the silane-air mixture within the framework of mathematical model of a nonequilibrium gas dynamics. Detailed kinetic scheme of silane oxidation as well as the newly developed reduced kinetic model of detonation combustion of silane are used. On its basis the detonation wave (DW) structure in stoichiometric silane - air mixture and dependences of Chapman-Jouguet parameters of mixture on stoichiometric ratio between the fuel (silane) and an oxidizer (air) were obtained.

Kinetic Model Development for the Combustion of Particulate Matter from Conventional and Soy Methyl Ester Diesel Fuels

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

Strzelec, Andrea

2009-12-01

The primary objective of this research has been to investigate how the oxidation characteristics of diesel particulate matter (PM) are affected by blending soy-based biodiesel fuel with conventional ultra low sulfur diesel (ULSD) fuel. PM produced in a light duty engine from different biodiesel-conventional fuel blends was subjected to a range of physical and chemical measurements in order to better understand the mechanisms by which fuel-related changes to oxidation reactivity are brought about. These observations were then incorporated into a kinetic model to predict PM oxidation. Nanostructure of the fixed carbon was investigated by HR-TEM and showed that particulates frommore » biodiesel had a more open structure than particulates generated from conventional diesel fuel, which was confirmed by BET surface area measurements. Surface area evolution with extent of oxidation reaction was measured for PM from ULSD and biodiesel. Biodiesel particulate has a significantly larger surface area for the first 40% of conversion, at which point the samples become quite similar. Oxidation characteristics of nascent PM and the fixed carbon portion were measured by temperature programmed oxidation (TPO) and it was noted that increased biodiesel blending lowered the light-off temperature as well as the temperature where the peak rate of oxidation occurred. A shift in the oxidation profiles of all fuels was seen when the mobile carbon fraction was removed, leaving only the fixed carbon, however the trend in temperature advantage of the biofuel blending remained. The mobile carbon fraction was measured by temperature programmed desorption found to generally increase with increasing biodiesel blend level. The relative change in the light-off temperatures for the nascent and fixed carbon samples was found to be related to the fraction of mobile carbon. Effective Arrhenius parameters for fixed carbon oxidation were directly measured with isothermal, differential oxidation experiments. Normalizing the reaction rate to the total carbon surface area available for reaction allowed for the definition of a single reaction rate with constant activation energy (112.5 {+-} 5.8 kJ/mol) for the oxidation of PM, independent of its fuel source. A kinetic model incorporating the surface area dependence of fixed carbon oxidation rate and the impact of the mobile carbon fraction was constructed and validated against experimental data.« less

TEMperature Pressure ESTimation of a homogeneous boiling fuel-steel mixture in an LMFBR core. [TEMPEST code

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

Pyun, J.J.; Majumdar, D.

The paper describes TEMPEST, a simple computer program for the temperature and pressure estimation of a boiling fuel-steel pool in an LMFBR core. The time scale of interest of this program is large, of the order of ten seconds. Further, the vigorous boiling in the pool will generate a large contact, and hence a large heat transfer between fuel and steel. The pool is assumed to be a uniform mixture of fuel and steel, and consequently vapor production is also assumed to be uniform throughout the pool. The pool is allowed to expand in volume if there is steel meltingmore » at the walls. In this program, the total mass of liquid and vapor fuel is always kept constant, but the total steel mass in the pool may change by steel wall melting. Because of a lack of clear understanding of the physical phenomena associated with the progression of a fuel-steel mixture at high temperature, various input options have been built-in to enable one to perform parametric studies. For example, the heat transfer from the pool to the surrounding steel structure may be controlled by input values for the heat transfer coefficients, or, the heat transfer may be calculated by a correlation obtained from the literature. Similarly, condensation of vapor on the top wall can be specified by input values of the condensation coefficient; the program can otherwise calculate condensation according to the non-equilibrium model predictions. Meltthrough rates of the surrounding steel walls can be specified by a fixed melt-rate or can be determined by a fraction of the heat loss that goes to steel-melting. The melted steel is raised to the pool temperature before it is joined with the pool material. Several applications of this program to various fuel-steel pools in the FFTF and the CRBR cores are discussed.« less

Analytical modeling of operating characteristics of premixing-prevaporizing fuel-air mixing passages. Volume 2: User's manual

NASA Technical Reports Server (NTRS)

Anderson, O. L.; Chiappetta, L. M.; Edwards, D. E.; Mcvey, J. B.

1982-01-01

A user's manual describing the operation of three computer codes (ADD code, PTRAK code, and VAPDIF code) is presented. The general features of the computer codes, the input/output formats, run streams, and sample input cases are described.

Thermal analysis and kinetics of coal during oxy-fuel combustion

NASA Astrophysics Data System (ADS)

Kosowska-Golachowska, Monika

2017-08-01

The pyrolysis and oxy-fuel combustion characteristics of Polish bituminous coal were studied using non-isothermal thermogravimetric analysis. Pyrolysis tests showed that the mass loss profiles were almost similar up to 870°C in both N2 and CO2 atmospheres, while further mass loss occurred in CO2 atmosphere at higher temperatures due to char-CO2 gasification. Replacement of N2 in the combustion environment by CO2 delayed the combustion of bituminous coal. At elevated oxygen levels, TG/DTG profiles shifted through lower temperature zone, ignition and burnout temperatures decreased and mass loss rate significantly increased and complete combustion was achieved at lower temperatures and shorter times. Kinetic analysis for the tested coal was performed using Kissinger-Akahira-Sunose (KAS) method. The activation energies of bituminous coal combustion at the similar oxygen content in oxy-fuel with that of air were higher than that in air atmosphere. The results indicated that, with O2 concentration increasing, the activation energies decreased.

Combustion of peanut and tamarind shells in a conical fluidized-bed combustor: a comparative study.

PubMed

Kuprianov, Vladimir I; Arromdee, Porametr

2013-07-01

Combustion of peanut and tamarind shells was studied in the conical fluidized-bed combustor using alumina sand as the bed material to prevent bed agglomeration. Morphological, thermogravimetric and kinetic characteristics were investigated to compare thermal and combustion reactivity between the biomass fuels. The thermogravimetric kinetics of the biomasses was fitted using the Coats-Redfern method. Experimental tests on the combustor were performed at 60 and 45 kg/h fuel feed rates, with excess air within 20-80%. Temperature and gas concentrations were measured along radial and axial directions in the reactor and at stack. The axial temperature and gas concentration profiles inside the combustor exhibited sensible effects of fuel properties and operating conditions on combustion and emission performance. High (≈ 99%) combustion efficiency and acceptable levels of CO, CxHy, and NO emissions are achievable when firing peanut shells at excess air of about 40%, whereas 60% is more preferable for burning tamarind shells. Copyright © 2013 Elsevier Ltd. All rights reserved.

Computer Simulation Of Cyclic Oxidation

NASA Technical Reports Server (NTRS)

Probst, H. B.; Lowell, C. E.

1990-01-01

Computer model developed to simulate cyclic oxidation of metals. With relatively few input parameters, kinetics of cyclic oxidation simulated for wide variety of temperatures, durations of cycles, and total numbers of cycles. Program written in BASICA and run on any IBM-compatible microcomputer. Used in variety of ways to aid experimental research. In minutes, effects of duration of cycle and/or number of cycles on oxidation kinetics of material surveyed.

A "TEST OF CONCEPT" COMPARISON OF AERODYNAMIC AND MECHANICAL RESUSPENSION MECHANISMS FOR PARTICLES DEPOSITED ON FIELD RYE GRASS (SECALS CERCELE). PART 2. THRESHOLD MECHANICAL ENERGIES FOR RESUSPENSION PARTICLE FLUXES

EPA Science Inventory

Kinetic energy from the oscillatory impacts of the grass stalk against a stationary object was measured with a kinetic energy measuring device. These energy inputs were measured as part of a resuspension experiment of uniform latex microspheres deposited on a single rye grass see...

Simplified jet fuel reaction mechanism for lean burn combustion application

NASA Technical Reports Server (NTRS)

Lee, Chi-Ming; Kundu, Krishna; Ghorashi, Bahman

1993-01-01

Successful modeling of combustion and emissions in gas turbine engine combustors requires an adequate description of the reaction mechanism. Detailed mechanisms contain a large number of chemical species participating simultaneously in many elementary kinetic steps. Current computational fluid dynamic models must include fuel vaporization, fuel-air mixing, chemical reactions, and complicated boundary geometries. A five-step Jet-A fuel mechanism which involves pyrolysis and subsequent oxidation of paraffin and aromatic compounds is presented. This mechanism is verified by comparing with Jet-A fuel ignition delay time experimental data, and species concentrations obtained from flametube experiments. This five-step mechanism appears to be better than the current one- and two-step mechanisms.

Computer Program (VEHSIM) for Vehicle Fuel Economy and Performance Simulation (Automobiles and Light Trucks) : Vol. III

DOT National Transportation Integrated Search

1981-10-01

This report presents an updated description of a vehicle simulation program, VEHSIM, which can determine the fuel economy and performance of a specified vehicle over a defined route as it executes a given driving schedule. Vehicle input accommodated ...

40 CFR 98.6 - Definitions.

Code of Federal Regulations, 2012 CFR

2012-07-01

... perfluoropolyether, and any hydrofluoropolyether. Fossil fuel means natural gas, petroleum, coal, or any form of... generator. Emergency equipment means any auxiliary fossil fuel-powered equipment, such as a fire pump, that... the kiln to produce heat to form the clinker product. Feedstock means raw material inputs to a process...

40 CFR 98.6 - Definitions.

Code of Federal Regulations, 2011 CFR

2011-07-01

... perfluoropolyether, and any hydrofluoropolyether. Fossil fuel means natural gas, petroleum, coal, or any form of... generator. Emergency equipment means any auxiliary fossil fuel-powered equipment, such as a fire pump, that... the kiln to produce heat to form the clinker product. Feedstock means raw material inputs to a process...

40 CFR 98.6 - Definitions.

Code of Federal Regulations, 2014 CFR

2014-07-01

... perfluoropolyether, and any hydrofluoropolyether. Fossil fuel means natural gas, petroleum, coal, or any form of... generator. Emergency equipment means any auxiliary fossil fuel-powered equipment, such as a fire pump, that... the kiln to produce heat to form the clinker product. Feedstock means raw material inputs to a process...

40 CFR 98.6 - Definitions.

Code of Federal Regulations, 2013 CFR

2013-07-01

... perfluoropolyether, and any hydrofluoropolyether. Fossil fuel means natural gas, petroleum, coal, or any form of... generator. Emergency equipment means any auxiliary fossil fuel-powered equipment, such as a fire pump, that... the kiln to produce heat to form the clinker product. Feedstock means raw material inputs to a process...

40 CFR 60.41c - Definitions.

Code of Federal Regulations, 2011 CFR

2011-07-01

... that 12-month period at the maximum design heat input capacity. In the case of steam generating units... generating unit. Combustion research means the experimental firing of any fuel or combination of fuels in a steam generating unit for the purpose of conducting research and development of more efficient...

40 CFR 60.41c - Definitions.

Code of Federal Regulations, 2010 CFR

2010-07-01

... that 12-month period at the maximum design heat input capacity. In the case of steam generating units... generating unit. Combustion research means the experimental firing of any fuel or combination of fuels in a steam generating unit for the purpose of conducting research and development of more efficient...

Computer Program (VEHSIM) for Vehicle Fuel Economy and Performance Simulation (Automobiles and Light Trucks) : Vol. II

DOT National Transportation Integrated Search

1981-10-01

This report presents an updated description of a vehicle simulation program, VEHSIM, which can determine the fuel economy and performance of a specified vehicle over a defined route as it executes a given driving schedule. Vehicle input accommodated ...

Computer Program (VEHSIM) For Vehicle Fuel Economy and Performance Simulation (Automobiles and Light Trucks) : Vol. IV: Enhancements

DOT National Transportation Integrated Search

1981-10-01

This report presents an updated description of a vehicle simulation program, VEHSIM, which can determine the fuel economy and performance of a specified vehicle over a defined route as it executes a given driving schedule. Vehicle input accommodated ...

Apparatus and method for combusting low quality fuel

DOEpatents

Brushwood, John Samuel; Pillsbury, Paul; Foote, John; Heilos, Andreas

2003-11-04

A gas turbine (12) capable of combusting a low quality gaseous fuel having a ratio of flammability limits less than 2, or a heat value below 100 BTU/SCF. A high quality fuel is burned simultaneously with the low quality fuel to eliminate instability in the combustion flame. A sensor (46) is used to monitor at least one parameter of the flame indicative of instability. A controller (50) having the sensor signal (48) as input is programmed to control the relative flow rates of the low quality and high quality fuels. When instability is detected, the flow rate of high quality fuel is automatically increased in relation to the flow rate of low quality fuel to restore stability.

Large Eddy Simulation of Turbulent Combustion

DTIC Science & Technology

2005-10-01

a new method to automatically generate skeletal kinetic mechanisms for surrogate fuels, using the directed relation graph method with error...propagation, was developed. These mechanisms are guaranteed to match results obtained using detailed chemistry within a user- defined accuracy for any...specified target. They can be combined together to produce adequate chemical models for surrogate fuels. A library containing skeletal mechanisms of various

Light-water-reactor safety research program. Quarterly progress report, July--September 1975

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

Not Available

1975-01-01

Progress is summarized in the following research and development areas: (1) loss-of-coolant accident research; heat transfer and fluid dynamics; (2) transient fuel response and fission-product release; and (3) mechanical properties of Zircaloy containing oxygen. Also included is an appendix on Kinetics of Fission Gas and Volatile Fission-product Behavior under Transient Conditions in LWR Fuel.

Breeding of 233U in the thorium-uranium fuel cycle in VVER reactors using heavy water

NASA Astrophysics Data System (ADS)

Marshalkin, V. E.; Povyshev, V. M.

2015-12-01

A method is proposed for achieving optimal neutron kinetics and efficient isotope transmutation in the 233U-232Th oxide fuel of water-moderated reactors with variable water composition (D2O, H2O) that ensures breeding of the 233U and 235U isotopes. The method is comparatively simple to implement.

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

Marinov, N.M.; Westbrook, C.K.; Cloutman, L.D.

Work being carried out at LLNL has concentrated on studies of the role of chemical kinetics in a variety of problems related to hydrogen combustion in practical combustion systems, with an emphasis on vehicle propulsion. Use of hydrogen offers significant advantages over fossil fuels, and computer modeling provides advantages when used in concert with experimental studies. Many numerical {open_quotes}experiments{close_quotes} can be carried out quickly and efficiently, reducing the cost and time of system development, and many new and speculative concepts can be screened to identify those with sufficient promise to pursue experimentally. This project uses chemical kinetic and fluid dynamicmore » computational modeling to examine the combustion characteristics of systems burning hydrogen, either as the only fuel or mixed with natural gas. Oxidation kinetics are combined with pollutant formation kinetics, including formation of oxides of nitrogen but also including air toxics in natural gas combustion. We have refined many of the elementary kinetic reaction steps in the detailed reaction mechanism for hydrogen oxidation. To extend the model to pressures characteristic of internal combustion engines, it was necessary to apply theoretical pressure falloff formalisms for several key steps in the reaction mechanism. We have continued development of simplified reaction mechanisms for hydrogen oxidation, we have implemented those mechanisms into multidimensional computational fluid dynamics models, and we have used models of chemistry and fluid dynamics to address selected application problems. At the present time, we are using computed high pressure flame, and auto-ignition data to further refine the simplified kinetics models that are then to be used in multidimensional fluid mechanics models. Detailed kinetics studies have investigated hydrogen flames and ignition of hydrogen behind shock waves, intended to refine the detailed reactions mechanisms.« less

Parasitic Currents Caused by Different Ionic and Electronic Conductivities in Fuel Cell Anodes.

PubMed

Schalenbach, Maximilian; Zillgitt, Marcel; Maier, Wiebke; Stolten, Detlef

2015-07-29

The electrodes in fuel cells simultaneously realize electric and ionic conductivity. In the case of acidic polymer electrolytes, the electrodes are typically made of composites of carbon-supported catalyst and Nafion polymer electrolyte binder. In this study, the interaction of the proton conduction, the electron conduction, and the electrochemical hydrogen conversion in such composite electrode materials was examined. Exposed to a hydrogen atmosphere, these composites displayed up to 10-fold smaller resistivities for the proton conduction than that of Nafion membranes. This effect was ascribed to the simultaneously occurring electrochemical hydrogen oxidation and evolution inside the composite samples, which are driven by different proton and electron resistivities. The parasitic electrochemical currents resulting were postulated to occur in the anode of fuel cells with polymer, solid oxide, or liquid alkaline electrolytes, when the ohmic drop of the ion conduction in the anode is higher with the anodic kinetic overvoltage (as illustrated in the graphical abstract). In this case, the parasitic electrochemical currents increase the anodic kinetic overpotential and the ohmic drop in the anode. Thinner fuel cell anodes with smaller ohmic drops for the ion conduction may reduce the parasitic electrochemical currents.

High energy efficiency and high power density proton exchange membrane fuel cells: Electrode kinetics and mass transport

NASA Technical Reports Server (NTRS)

Srinivasan, Supramaniam; Velev, Omourtag A.; Parthasathy, Arvind; Manko, David J.; Appleby, A. John

1991-01-01

The development of proton exchange membrane (PEM) fuel cell power plants with high energy efficiencies and high power densities is gaining momentum because of the vital need of such high levels of performance for extraterrestrial (space, underwater) and terrestrial (power source for electric vehicles) applications. Since 1987, considerable progress has been made in achieving energy efficiencies of about 60 percent at a current density of 200 mA/sq cm and high power densities (greater than 1 W/sq cm) in PEM fuel cells with high (4 mg/sq cm) or low (0.4 mg/sq cm) platinum loadings in electrodes. The following areas are discussed: (1) methods to obtain these high levels of performance with low Pt loading electrodes - by proton conductor impregnation into electrodes, localization of Pt near front surface; (2) a novel microelectrode technique which yields electrode kinetic parameters for oxygen reduction and mass transport parameters; (3) demonstration of lack of water transport from anode to cathode; (4) modeling analysis of PEM fuel cell for comparison with experimental results and predicting further improvements in performance; and (5) recommendations of needed research and development for achieving the above goals.

40 CFR Table 5 to Subpart Uuu of... - Initial Compliance With Metal HAP Emission Limits for Catalytic Cracking Units

Code of Federal Regulations, 2013 CFR

2013-07-01

... fossil fuel, the incremental rate of PM must not exceed 43.0 grams per Gigajoule (g/GJ) or 0.10 pounds... fossil fuel; and the opacity of emissions must not exceed 30 percent, except for one 6-minute average... lb/million Btu) of heat input attributable to the liquid or solid fossil fuel. As part of the...

40 CFR Table 6 to Subpart Uuu of... - Continuous Compliance With Metal HAP Emission Limits for Catalytic Cracking Units

Code of Federal Regulations, 2012 CFR

2012-07-01

... fossil fuel, the incremental rate of PM must not exceed 43.0 g/GJ (0.10 lb/million Btu) of heat input attributable to the liquid or solid fossil fuel; and the opacity of emissions must not exceed 30 percent... combustion of liquid or solid fossil fuels (liters/hour or kilograms/hour) and the hours of operation during...

40 CFR Table 6 to Subpart Uuu of... - Continuous Compliance With Metal HAP Emission Limits for Catalytic Cracking Units

Code of Federal Regulations, 2013 CFR

2013-07-01

... fossil fuel, the incremental rate of PM must not exceed 43.0 g/GJ (0.10 lb/million Btu) of heat input attributable to the liquid or solid fossil fuel; and the opacity of emissions must not exceed 30 percent... combustion of liquid or solid fossil fuels (liters/hour or kilograms/hour) and the hours of operation during...

40 CFR Table 5 to Subpart Uuu of... - Initial Compliance With Metal HAP Emission Limits for Catalytic Cracking Units

Code of Federal Regulations, 2014 CFR

2014-07-01

... fossil fuel, the incremental rate of PM must not exceed 43.0 grams per Gigajoule (g/GJ) or 0.10 pounds... fossil fuel; and the opacity of emissions must not exceed 30 percent, except for one 6-minute average... lb/million Btu) of heat input attributable to the liquid or solid fossil fuel. As part of the...

40 CFR Table 6 to Subpart Uuu of... - Continuous Compliance With Metal HAP Emission Limits for Catalytic Cracking Units

Code of Federal Regulations, 2014 CFR

2014-07-01

... fossil fuel, the incremental rate of PM must not exceed 43.0 g/GJ (0.10 lb/million Btu) of heat input attributable to the liquid or solid fossil fuel; and the opacity of emissions must not exceed 30 percent... combustion of liquid or solid fossil fuels (liters/hour or kilograms/hour) and the hours of operation during...

40 CFR Table 5 to Subpart Uuu of... - Initial Compliance With Metal HAP Emission Limits for Catalytic Cracking Units

Code of Federal Regulations, 2012 CFR

2012-07-01

... fossil fuel, the incremental rate of PM must not exceed 43.0 grams per Gigajoule (g/GJ) or 0.10 pounds... fossil fuel; and the opacity of emissions must not exceed 30 percent, except for one 6-minute average... lb/million Btu) of heat input attributable to the liquid or solid fossil fuel. As part of the...

40 CFR 63.11223 - How do I demonstrate continuous compliance with the work practice and management practice standards?

Code of Federal Regulations, 2014 CFR

2014-07-01

... conduct the tune-up while burning the type of fuel (or fuels in the case of boilers that routinely burn two types of fuels at the same time) that provided the majority of the heat input to the boiler over...-up must be no later than 25 months after the initial startup of the new or reconstructed boiler. (1...

40 CFR 63.11223 - How do I demonstrate continuous compliance with the work practice and management practice standards?

Code of Federal Regulations, 2013 CFR

2013-07-01

... conduct the tune-up while burning the type of fuel (or fuels in the case of boilers that routinely burn two types of fuels at the same time) that provided the majority of the heat input to the boiler over...-up must be no later than 25 months after the initial startup of the new or reconstructed boiler. (1...

Flower Power: Prospects for Photosynthetic Energy

ERIC Educational Resources Information Center

Poole, Alan D.; Williams, Robert H.

1976-01-01

This report focuses on the prospects and possibilities for using biomass as an energy source for the United States. However, the greatest potential for utilizing biomass as fuel exists in energy-starved developing nations, since it appears possible to develop biomass technologies keeping capital inputs low in relation to labor inputs. (BT)

Computer Program (HEVSIM) for Heavy Duty Vehicle Fuel Economy and Performance Simulation. Volume I: Description and Analysis

DOT National Transportation Integrated Search

1981-09-01

This report presents a description of a vehicle simulation program, which can determine the fuel economy and performance of a specified motor vehicle over a defined route as it executes a given driving schedule. Vehicle input accommodated by HEVSIM i...

77 FR 34915 - Notice of Data Availability Concerning Renewable Fuels Produced From Grain Sorghum Under the RFS...

Federal Register 2010, 2011, 2012, 2013, 2014

2012-06-12

... alcohol manufacturing. Industry 325199 2869 Other basic organic chemical manufacturing. Industry 424690... fertilizer use, and energy use in feedstock processing and fuel production. The docket includes detailed... interval. Net agricultural emissions include impacts related to changes in crop inputs, such as fertilizer...

A computer program (HEVSIM) for heavy duty vehicle fuel economy and performance simulation : Volume II: Users' Manual

DOT National Transportation Integrated Search

1981-09-01

This report presents a description of a vehicle simulation program, which can determine the fuel economy and performance of a specified motor vehicle over a defined route as it executes a given driving schedule. Vehicle input accommodated by HEVSIM i...

A computer program (VEHSIM) for vehicle fuel economy and performance simulation (automobiles and light trucks). Volume 3. Glossary and listings

DOT National Transportation Integrated Search

1981-01-01

This report presents an updated description of a vehicle simulation program, VEHSIM, which can determine the fuel economy and performance of a specified vehicle over a defined route as it executes a given driving schedule. Vehicle input accommodated ...

A computer program (VEHSIM) for vehicle fuel economy and performance simulation (automobiles and light trucks). Volume 2. Users guide

DOT National Transportation Integrated Search

1981-01-01

This report presents an updated description of a vehicle simulation program, VEHSIM, which can determine the fuel economy and performance of a specified vehicle over a defined route as it executes a given driving schedule. Vehicle input accommodated ...

A computer program (VEHSIM) for vehicle fuel economy and performance simulation (automobiles and light trucks). Volume 1. Description and analysis

DOT National Transportation Integrated Search

1981-01-01

This report presents an updated description of a vehicle simulation program, VEHSIM, which can determine the fuel economy and performance of a specified vehicle over a defined route as it executes a given driving schedule. Vehicle input accommodated ...

40 CFR 60.41c - Definitions.

Code of Federal Regulations, 2012 CFR

2012-07-01

... that 12-month period at the maximum design heat input capacity. In the case of steam generating units... gas to a steam generating unit. Combustion research means the experimental firing of any fuel or combination of fuels in a steam generating unit for the purpose of conducting research and development of more...

40 CFR 60.41c - Definitions.

Code of Federal Regulations, 2014 CFR

2014-07-01

... that 12-month period at the maximum design heat input capacity. In the case of steam generating units... gas to a steam generating unit. Combustion research means the experimental firing of any fuel or combination of fuels in a steam generating unit for the purpose of conducting research and development of more...

40 CFR 60.41c - Definitions.

Code of Federal Regulations, 2013 CFR

2013-07-01

... that 12-month period at the maximum design heat input capacity. In the case of steam generating units... gas to a steam generating unit. Combustion research means the experimental firing of any fuel or combination of fuels in a steam generating unit for the purpose of conducting research and development of more...

A computer program (HEVSIM) for heavy duty vehicle fuel economy and performance simulation : Volume 1: Description and Analysis

DOT National Transportation Integrated Search

1981-09-01

This report presents a description of a vehicle simulation program, which can determine the fuel economy and performance of a specified motor vehicle over a defined route as it executes a given driving schedule. Vehicle input accommodated by HEVSIM i...

Computer Program (VEHSIM) for Vehicle Fuel Economy and Performance Simulation (Automobiles and Light Trucks) : Vol. I: Description and Analysis

DOT National Transportation Integrated Search

1981-10-01

This report presents an updated description of a vehicle simulation program, VEHSIM, which can determine the fuel economy and performance of a specified vehicle over a defined route as it executes a given driving schedule. Vehicle input accommodated ...

40 CFR 63.1271 - Definitions.

Code of Federal Regulations, 2014 CFR

2014-07-01

... used to heat waste gas to combustion temperatures. Any energy recovery section is not physically formed..., photoionization, or thermal conductivity. Primary fuel means the fuel that provides the principal heat input (i.e... flame, the primary purpose of which is to transfer heat to a process fluid or process material that is...

40 CFR 63.1271 - Definitions.

Code of Federal Regulations, 2013 CFR

2013-07-01

... used to heat waste gas to combustion temperatures. Any energy recovery section is not physically formed..., photoionization, or thermal conductivity. Primary fuel means the fuel that provides the principal heat input (i.e... flame, the primary purpose of which is to transfer heat to a process fluid or process material that is...

Applications of high pressure differential scanning calorimetry to aviation fuel thermal stability research

NASA Technical Reports Server (NTRS)

Neveu, M. C.; Stocker, D. P.

1985-01-01

High pressure differential scanning calorimetry (DSC) was studied as an alternate method for performing high temperature fuel thermal stability research. The DSC was used to measure the heat of reaction versus temperature of a fuel sample heated at a programmed rate in an oxygen pressurized cell. Pure hydrocarbons and model fuels were studied using typical DSC operating conditions of 600 psig of oxygen and a temperature range from ambient to 500 C. The DSC oxidation onset temperature was determined and was used to rate the fuels on thermal stability. Kinetic rate constants were determined for the global initial oxidation reaction. Fuel deposit formation is measured, and the high temperature volatility of some tetralin deposits is studied by thermogravimetric analysis. Gas chromatography and mass spectrometry are used to study the chemical composition of some DSC stressed fuels.

The effect of initial flow nonuniformity on second-stage fuel injection and combustion in a supersonic duct. [supersonic combustion ramjet engine

NASA Technical Reports Server (NTRS)

Russin, W. R.

1975-01-01

The effects of flow nonuniformity on second-stage hydrogen fuel injection and combustion in supersonic flow were evaluated. The first case, second-stage fuel injection into a uniform duct flow, produced data indicating that fuel mixing is considerably slower than estimates based on an empirical mixing correlation. The second-case, two-stage fuel injection (or second-stage fuel injection into a nonuniform duct flow), produced a large interaction between stages with extensive flow separation. For this case the measured wall pressure, heat transfer, and amount of reaction at the duct exit were significantly greater than estimates based on the mixing correlation. Substantially more second-stage fuel burned in the second case than in the first case. Overall effects of unmixedness/chemical kinetics were found not to be significant at the exit for stoichiometric fuel injection.

General circulation model response to production-limited fossil fuel emission estimates.

NASA Astrophysics Data System (ADS)

Bowman, K. W.; Rutledge, D.; Miller, C.

2008-12-01

The differences in emissions scenarios used to drive IPCC climate projections are the largest sources of uncertainty in future temperature predictions. These estimates are critically dependent on oil, gas, and coal production where the extremal variations in fossil fuel production used in these scenarios is roughly 10:1 after 2100. The development of emission scenarios based on production-limited fossil fuel estimates, i.e., total fossil fuel reserves can be reliably predicted from cumulative production, offers the opportunity to significantly reduce this uncertainty. We present preliminary results of the response of the NASA GISS atmospheric general circulation model to input forcings constrained by production-limited cumulative future fossil-fuel CO2 emissions estimates that reach roughly 500 GtC by 2100, which is significantly lower than any of the IPCC emission scenarios. For climate projections performed from 1958 through 2400 and a climate sensitivity of 5C/2xCO2, the change in globally averaged annual mean temperature relative to fixed CO2 does not exceed 3C with most changes occurring at high latitudes. We find that from 2100-2400 other input forcings such as increased in N2O play an important role in maintaining increase surface temperatures.

TVA GIS-based biomass resource assessment

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

Noon, C.E.

1993-12-31

The focus of this paper is a computer-based system for estimating the costs of supplying wood fuel. The system is being developed for the Tennessee Valley Authority and is referred to as the Biomass Resource Assessment Version One (BRAVO) system. The main objective in developing the BRAVO system is to assist TVA in estimating the costs for supplying wood fuel to any one of its twelve coal-fired plants. The BRAVO system is developed within a Geographic Information System (GIS) platform and is designed to allow a user to perform {open_quotes}what if{close_quotes} analyses related to the costs of wood fuel supply.more » Three types of wood fuel are considered in the BRAVO system: mill residues, logging residues and short-rotation woody crops (SRWC). Each type of wood fuel has unique economic and supply characteristics. The input data for the system includes the specific locations, amount, and prices of the various types of wood fuel throughout the TVA region. The system input is completed by data on political boundaries, power plant locations, road networks and a model for estimating transportation costs as a function of distance. The result is a comprehensive system which includes information on all possible wood fuel supply joints, demand points and product movement costs. In addition, the BRAVO system has been designed to allow a user to perform sensitivity analysis on a variety of supply system parameters. This will enable TVA to thoroughly investigate the financial impacts of issues such as increased competition for wood fuel, environmental policies, fuel taxes, and regional economic cycles.« less

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

DOE PAGES

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

2014-07-15

Our study investigates the autoignition behavior of two gasoline surrogates doped with an alkyl nitrate cetane enhancer, 2-ethyl-hexyl nitrate (2EHN) to better understand dopant interactions with the fuels, including influences of accelerating kinetic pathways and enhanced exothermicity. A primary reference fuel (PRF) blend of n-heptane/iso-octane, and a toluene reference fuel (TRF) blend of n-heptane/iso-octane/toluene are used where the aromatic fraction of the latter is set to 20% (liquid volume), while the content of n-heptane is adjusted so that the overall reactivity of the undoped fuels is similar, e.g., Anti-Knock Index (AKI) of similar to 91, Cetane Number (CN) similar tomore » 25. Doping levels of 0.1, 1.0 and 3.0% (liquid volume basis) are used where tests are conducted within a rapid compression machine (RCM) at a compressed pressure of 21 bar, covering temperatures from 675 to 1025 K with stoichiometric fuel-oxygen ratios at O-2 = 11.4%. At the experimental conditions, it is found that the doping effectiveness of 2EHN is fairly similar between the two fuels, though 2EHN is more effective in the aromatic blend at the lowest temperatures, while it is slightly more effective in the non-aromatic blend at intermediate temperatures. Furthermore, kinetic modeling of the experiments indicates that although some of the reactivity trends can be captured using a detailed model, the extents of predicted Cetane Number enhancement by 2EHN are too large, while differences in fuel interactions for the two fuels result in excessive stimulation of the non-aromatic blend. Sensitivity analysis using the kinetic model indicates that the CH 2O and CH 3O 2 chemistry are very sensitive to the dopant at all conditions. The rate of 2EHN decomposition is only important at low temperatures where its decomposition rate is slow due to the high activation energy of the reaction. At higher temperatures, dopant-derived 3-heptyl radicals are predicted to play an important role stimulating ignition. Finally, nitrogen chemistry is important through the 'NO - NO 2 loop' where this can generate substantial amounts of OH. But, at the highest doping levels the formation of methyl and ethyl nitrite, and nitric acid significantly competes with this so that less OH is generated and this constrains the reactivity enhancement of 2EHN.« less

Spike Timing and Reliability in Cortical Pyramidal Neurons: Effects of EPSC Kinetics, Input Synchronization and Background Noise on Spike Timing

PubMed Central

Rodriguez-Molina, Victor M.; Aertsen, Ad; Heck, Detlef H.

2007-01-01

In vivo studies have shown that neurons in the neocortex can generate action potentials at high temporal precision. The mechanisms controlling timing and reliability of action potential generation in neocortical neurons, however, are still poorly understood. Here we investigated the temporal precision and reliability of spike firing in cortical layer V pyramidal cells at near-threshold membrane potentials. Timing and reliability of spike responses were a function of EPSC kinetics, temporal jitter of population excitatory inputs, and of background synaptic noise. We used somatic current injection to mimic population synaptic input events and measured spike probability and spike time precision (STP), the latter defined as the time window (Δt) holding 80% of response spikes. EPSC rise and decay times were varied over the known physiological spectrum. At spike threshold level, EPSC decay time had a stronger influence on STP than rise time. Generally, STP was highest (≤2.45 ms) in response to synchronous compounds of EPSCs with fast rise and decay kinetics. Compounds with slow EPSC kinetics (decay time constants>6 ms) triggered spikes at lower temporal precision (≥6.58 ms). We found an overall linear relationship between STP and spike delay. The difference in STP between fast and slow compound EPSCs could be reduced by incrementing the amplitude of slow compound EPSCs. The introduction of a temporal jitter to compound EPSCs had a comparatively small effect on STP, with a tenfold increase in jitter resulting in only a five fold decrease in STP. In the presence of simulated synaptic background activity, precisely timed spikes could still be induced by fast EPSCs, but not by slow EPSCs. PMID:17389910

Tuning of platinum nano-particles by Au usage in their binary alloy for direct ethanol fuel cell: Controlled synthesis, electrode kinetics and mechanistic interpretation

NASA Astrophysics Data System (ADS)

Dutta, Abhijit; Mondal, Achintya; Datta, Jayati

2015-06-01

Understanding of the electrode-kinetics and mechanism of ethanol oxidation reaction (EOR) is of considerable interest for optimizing electro-catalysis in direct ethanol fuel cell (DEFC). This work attempts to design Pt based electro-catalyst on carbon support, tuned with gold nano-particles (NPs), for their use in DEFC operating in alkaline medium. The platinum-gold alloyed NPs are synthesized at desired compositions and size (2-10 nm) by controlled borohydride reduction method and successfully characterized by XRD, TEM, EDS and XPS techniques. The kinetic parameters along with the activation energies for the EOR are evaluated over the temperature range 20-80 °C and the oxidation reaction products estimated through ion chromatographic analysis. Compared to single Pt/C catalyst, the over potential of EOR is reduced by ca. 500 mV, at the onset during the reaction, for PtAu/C alloy with only 23% Pt content demonstrating the ability of Au and/or its surface oxides providing oxygen species at much lower potentials compared to Pt. Furthermore, a considerable increase in the peak power density (>191%) is observed in an in-house fabricated direct ethanol anion exchange membrane fuel cell, DE(AEM)FC using the best performing Au covered Pt electrode (23% Pt) compared to the monometallic Pt catalyst.

Input Correlations for Irradiation Creep of FeCrAl and SiC Based on In-Pile Halden Test Results

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

Terrani, K. A.; Karlsen, T. M.; Yamamoto, Yukinori

2016-05-01

Swelling and creep behavior of wrought FeCrAl alloys and CVD-SiC, two candidate accident tolerant fuel cladding materials, are being examined using in-pile tests at the Halden reactor. The outcome of these tests are material property correlations that are inputs into fuel performance analysis tools. The results are discussed and compared with what is available in literature from irradiation experiments in other reactors or out-of-pile tests. Specific recommendation on what correlations should be used for swelling, thermal, and irradiation creep for each material are provided in this document.

The Oxidation and Ignition of Jet Fuels

DTIC Science & Technology

2017-01-03

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

A Neutronic Program for Critical and Nonequilibrium Study of Mobile Fuel Reactors: The Cinsf1D Code

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

Lecarpentier, David; Carpentier, Vincent

2003-01-15

Molten salt reactors (MSRs) have the distinction of having a liquid fuel that is also the coolant. The transport of delayed-neutron precursors by the fuel modifies the precursors' equation. As a consequence, it is necessary to adapt the methods currently used for solid fuel reactors to achieve critical or kinetics calculations for an MSR. A program is presented for which this adaptation has been carried out within the framework of the two-energy-group diffusion theory with one dimension of space. This program has been called Cinsf1D (Cinetique pour reacteur a sels fondus 1D)

Limiting Energy Dissipation Induces Glassy Kinetics in Single-Cell High-Precision Responses

PubMed Central

Das, Jayajit

2016-01-01

Single cells often generate precise responses by involving dissipative out-of-thermodynamic-equilibrium processes in signaling networks. The available free energy to fuel these processes could become limited depending on the metabolic state of an individual cell. How does limiting dissipation affect the kinetics of high-precision responses in single cells? I address this question in the context of a kinetic proofreading scheme used in a simple model of early-time T cell signaling. Using exact analytical calculations and numerical simulations, I show that limiting dissipation qualitatively changes the kinetics in single cells marked by emergence of slow kinetics, large cell-to-cell variations of copy numbers, temporally correlated stochastic events (dynamic facilitation), and ergodicity breaking. Thus, constraints in energy dissipation, in addition to negatively affecting ligand discrimination in T cells, can create a fundamental difficulty in determining single-cell kinetics from cell-population results. PMID:26958894

The structure of particle cloud premixed flames

NASA Technical Reports Server (NTRS)

Seshadri, K.; Berlad, A. L.

1992-01-01

The structure of premixed flames propagating in combustible systems containing uniformly distributed volatile fuel particles in an oxidizing gas mixture is analyzed. This analysis is motivated by experiments conducted at NASA Lewis Research Center on the structure of flames propagating in combustible mixtures of lycopodium particles and air. Several interesting modes of flame propagation were observed in these experiments depending on the number density and the initial size of the fuel particle. The experimental results show that steady flame propagation occurs even if the initial equivalence ratio of the combustible mixture based on the gaseous fuel available in the particles, phi sub u, is substantially larger than unity. A model is developed to explain these experimental observations. In the model, it is presumed that the fuel particles vaporize first to yield a gaseous fuel of known chemical composition which then reacts with oxygen in a one-step overall process. The activation energy of the chemical reaction is presumed to be large. The activation energy characterizing the kinetics of vaporization is also presumed to be large. The equations governing the structure of the flame were integrated numerically. It is shown that the interplay of vaporization kinetics and oxidation process can result in steady flame propagation in combustible mixtures where the value of phi sub u is substantially larger than unity. This prediction is in agreement with experimental observations.

Effect of B20 and Low Aromatic Diesel on Transit Bus NOx Emissions Over Driving Cycles with a Range of Kinetic Intensity

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

Lammert, M. P.; McCormick, R. L.; Sindler, P.

2012-10-01

Oxides of nitrogen (NOx) emissions for transit buses for up to five different fuels and three standard transit duty cycles were compared to establish whether there is a real-world biodiesel NOx increase for transit bus duty cycles and engine calibrations. Six buses representing the majority of the current national transit fleet and including hybrid and selective catalyst reduction systems were tested on a heavy-duty chassis dynamometer with certification diesel, certification B20 blend, low aromatic (California Air Resources Board) diesel, low aromatic B20 blend, and B100 fuels over the Manhattan, Orange County and UDDS test cycles. Engine emissions certification level hadmore » the dominant effect on NOx; kinetic intensity was the secondary driving factor. The biodiesel effect on NOx emissions was not statistically significant for most buses and duty cycles for blends with certification diesel, except for a 2008 model year bus. CARB fuel had many more instances of a statistically significant effect of reducing NOx. SCR systems proved effective at reducing NOx to near the detection limit on all duty cycles and fuels, including B100. While offering a fuel economy benefit, a hybrid system significantly increased NOx emissions over a same year bus with a conventional drivetrain and the same engine.« less

Synthesis and Performance Characterization of a Nanocomposite Ternary Thermite: Al/Fe2O3/SiO2

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

Prentice, D; Pantoya, M L; Clapsaddle, B J

2005-02-04

Making solid energetic materials requires the physical mixing of solid fuels and oxidizers or the incorporation of fuel and oxidizing moieties into a single molecule. The former are referred to as composite energetic materials (i.e., thermites, propellants, pyrotechnics) and the latter are deemed monomolecular energetic materials (i.e., explosives). Mass diffusion between the fuel and oxidizer is the rate controlling step for composite reactions while bond breaking and chemical kinetics control monomolecular reactions. Although composites have higher energy densities than monomolecular species, they release that energy over a longer period of time because diffusion controlled reactions are considerably slower than chemistrymore » controlled reactions. Conversely, monomolecular species exhibit greater power due to more rapid kinetics than physically mixed energetics. Reducing the diffusion distance between fuel and oxidizer species within an energetic composite would enhance the reaction rate. Recent advances in nanotechnology have spurred the development of nano-scale fuel and oxidizer particles that can be combined into a composite and effectively reduce diffusion distances to nano-scale dimensions or less. These nanocomposites have the potential to deliver the best of both worlds: high energy density of the physically mixed composite with the high power of the monomolecular species. Toward this end, researchers at Lawrence Livermore National Laboratory (LLNL) developed nano-particle synthesis techniques, based on sol-gel chemistry, for the production of thermite nanocomposites.« less

Effects of Gas-Phase Radiation and Detailed Kinetics on the Burning and Extinction of a Solid Fuel

NASA Technical Reports Server (NTRS)

Rhatigan, Jennifer L.

2001-01-01

This is the first attempt to analyze both radiation and detailed kinetics on the burning and extinction of a solid fuel in a stagnation-point diffusion flame. We present a detailed and comparatively accurate computational model of a solid fuel flame along with a quantitative study of the kinetics mechanism, radiation interactions, and the extinction limits of the flame. A detailed kinetics model for the burning of solid trioxane (a trimer of formaldehyde) is coupled with a narrowband radiation model, with carbon dioxide, carbon monoxide, and water vapor as the gas-phase participating media. The solution of the solid trioxane diffusion flame over the flammable regime is presented in some detail, as this is the first solution of a heterogeneous trioxane flame. We identify high-temperature and low-temperature reaction paths for the heterogeneous trioxane flame. We then compare the adiabatic solution to solutions that include Surface radiation only and gas-phase and surface radiation using a black surface model. The analysis includes discussion of detailed flame chemistry over the flammable regime and, in particular, at the low stretch extinction limit. We emphasize the low stretch regime of the radiatively participating flame, since this is the region representative of microgravity flames. When only surface radiation is included, two extinction limits exist (the blow-off limit, and the low stretch radiative limit), and the burning rate and maximum flame temperatures are lower, as expected. With the inclusion of surface and gas-phase radiation, results show that, while flame temperatures are lower, the burning rate of the trioxane diffusion flame may actually increase at low stretch rate due to radiative feedback from the flame to the surface.

Metabolic fuel kinetics in fish: swimming, hypoxia and muscle membranes.

PubMed

Weber, Jean-Michel; Choi, Kevin; Gonzalez, Alex; Omlin, Teye

2016-01-01

Muscle performance depends on the supply of metabolic fuels and disposal of end-products. Using circulating metabolite concentrations to infer changes in fluxes is highly unreliable because the relationship between these parameters varies greatly with physiological state. Quantifying fuel kinetics directly is therefore crucial to the understanding of muscle metabolism. This review focuses on how carbohydrates, lipids and amino acids are provided to fish muscles during hypoxia and swimming. Both stresses force white muscle to produce lactate at higher rates than it can be processed by aerobic tissues. However, lactate accumulation is minimized because disposal is also strongly stimulated. Exogenous supply shows that trout have a much higher capacity to metabolize lactate than observed during hypoxia or intense swimming. The low density of monocarboxylate transporters and their lack of upregulation with exercise explain the phenomenon of white muscle lactate retention. This tissue operates as a quasi-closed system, where glycogen stores act as an 'energy spring' that alternates between explosive power release during swimming and slow recoil from lactate in situ during recovery. To cope with exogenous glucose, trout can completely suppress hepatic production and boost glucose disposal. Without these responses, glycemia would increase four times faster and reach dangerous levels. The capacity of salmonids for glucoregulation is therefore much better than presently described in the literature. Instead of albumin-bound fatty acids, fish use lipoproteins to shuttle energy from adipose tissue to working muscles during prolonged exercise. Proteins may play an important role in fueling muscle work in fish, but their exact contribution is yet to be established. The membrane pacemaker theory of metabolism accurately predicts general properties of muscle membranes such as unsaturation, but it does not explain allometric patterns of specific fatty acids. Investigations of metabolic fuel kinetics carried out in fish to date have demonstrated that these ectotherms use several unique strategies to orchestrate energy supply to working muscles and to survive hypoxia. © 2016. Published by The Company of Biologists Ltd.

Galvanic cell for processing of used nuclear fuel

DOEpatents

Garcia-Diaz, Brenda L.; Martinez-Rodriguez, Michael J.; Gray, Joshua R.; Olson, Luke C.

2017-02-07

A galvanic cell and methods of using the galvanic cell is described for the recovery of uranium from used nuclear fuel according to an electrofluorination process. The galvanic cell requires no input energy and can utilize relatively benign gaseous fluorinating agents. Uranium can be recovered from used nuclear fuel in the form of gaseous uranium compound such as uranium hexafluoride, which can then be converted to metallic uranium or UO.sub.2 and processed according to known methodology to form a useful product, e.g., fuel pellets for use in a commercial energy production system.

Electrochemical fluorination for processing of used nuclear fuel

DOEpatents

Garcia-Diaz, Brenda L.; Martinez-Rodriguez, Michael J.; Gray, Joshua R.; Olson, Luke C.

2016-07-05

A galvanic cell and methods of using the galvanic cell is described for the recovery of uranium from used nuclear fuel according to an electrofluorination process. The galvanic cell requires no input energy and can utilize relatively benign gaseous fluorinating agents. Uranium can be recovered from used nuclear fuel in the form of gaseous uranium compound such as uranium hexafluoride, which can then be converted to metallic uranium or UO.sub.2 and processed according to known methodology to form a useful product, e.g., fuel pellets for use in a commercial energy production system.

Fuel cell system combustor

DOEpatents

Pettit, William Henry

2001-01-01

A fuel cell system including a fuel reformer heated by a catalytic combustor fired by anode and cathode effluents. The combustor includes a turbulator section at its input end for intimately mixing the anode and cathode effluents before they contact the combustors primary catalyst bed. The turbulator comprises at least one porous bed of mixing media that provides a tortuous path therethrough for creating turbulent flow and intimate mixing of the anode and cathode effluents therein.

Transmutation Fuel Performance Code Thermal Model Verification

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

Gregory K. Miller; Pavel G. Medvedev

2007-09-01

FRAPCON fuel performance code is being modified to be able to model performance of the nuclear fuels of interest to the Global Nuclear Energy Partnership (GNEP). The present report documents the effort for verification of the FRAPCON thermal model. It was found that, with minor modifications, FRAPCON thermal model temperature calculation agrees with that of the commercial software ABAQUS (Version 6.4-4). This report outlines the methodology of the verification, code input, and calculation results.

Test and Evaluation of the Heat Recovery Incinerator System at Naval Station, Mayport, Florida.

DTIC Science & Technology

1981-05-01

co m m~~C 0 -4 𔃺V 0.4 𔃺 Cl .4* C 0% ’ 039 TABLE 4-4. HEATING VALUES AND MOISTURE CONTENT OF DECEMBER REFUSE HHV LHV Moisture Basis (Btu/lb) (Btu/lb...36 Solid waste characteristics ..... ......... 36 Auxiliary fuel characteristics. ..... ....... 36 Ash characteristics ...... ............ 38 Bottom...49 4-15 Average Fuel and Flue Gas Analysis .. ........... ... 49 4-16 Air and Fuel Inputs ...... ................... ... 50 4

Nafion(TM) Coats For Electrodes In Liquid-Feed Fuel Cells

NASA Technical Reports Server (NTRS)

Narayanan, Sekharipuram R.; Surampudi, Subbarao; Halpert, Gerald; Vamos, Eugene; Frank, Harvey A.

1995-01-01

Coating or impregnation with commercially available material enables oxidation of organic liquid fuels. Nafion(TM) investigated for use in application because of known combination of desirable characteristics: It is perfluorinated, hydrophilic, proton-conducting ion-exchange polymer exhibiting relatively high thermal and electrochemical stability and not detrimental to kinetics of electrochemical processes. Available in solubilized form and used to apply stable coats to surfaces of electrodes.

Program Helps To Determine Chemical-Reaction Mechanisms

NASA Technical Reports Server (NTRS)

Bittker, D. A.; Radhakrishnan, K.

1995-01-01

General Chemical Kinetics and Sensitivity Analysis (LSENS) computer code developed for use in solving complex, homogeneous, gas-phase, chemical-kinetics problems. Provides for efficient and accurate chemical-kinetics computations and provides for sensitivity analysis for variety of problems, including problems involving honisothermal conditions. Incorporates mathematical models for static system, steady one-dimensional inviscid flow, reaction behind incident shock wave (with boundary-layer correction), and perfectly stirred reactor. Computations of equilibrium properties performed for following assigned states: enthalpy and pressure, temperature and pressure, internal energy and volume, and temperature and volume. Written in FORTRAN 77 with exception of NAMELIST extensions used for input.

Kinetic effects of toluene blending on the extinction limit of n-decane diffusion flames

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

Won, Sang Hee; Sun, Wenting; Ju, Yiguang

The impact of toluene addition in n-decane on OH concentrations, maximum heat release rates, and extinction limits were studied experimentally and computationally by using counterflow diffusion flames with laser induced fluorescence imaging. Sensitivity analyses of kinetic path ways and species transport on flame extinction were also conducted. The results showed that the extinction strain rate of n-decane/toluene/nitrogen flames decreased significantly with an increase of toluene addition and depended linearly on the maximum OH concentration. It was revealed that the maximum OH concentration, which depends on the fuel H/C ratio, can be used as an index of the radical pool andmore » chemical heat release rate, since it plays a significant role on the heat production via the reaction with other species, such as CO, H{sub 2}, and HCO. Experimental results further demonstrated that toluene addition in n-decane dramatically reduced the peak OH concentration via H abstraction reactions and accelerated flame extinction via kinetic coupling between toluene and n-decane mechanisms. Comparisons between experiments and simulations revealed that the current toluene mechanism significantly over-predicts the radical destruction rate, leading to under-prediction of extinction limits and OH concentrations, especially caused by the uncertainty of the H abstraction reaction from toluene, which rate coefficient has a difference by a factor of 5 in the tested toluene models. In addition, sensitivity analysis of diffusive transport showed that in addition to n-decane and toluene, the transport of OH and H also considerably affects the extinction limit. A reduced linear correlation between the extinction limits of n-decane/toluene blended fuels and the H/C ratio as well as the mean fuel molecular weight was obtained. The results suggest that an explicit prediction of the extinction limits of aromatic and alkane blended fuels can be established by using H/C ratio (or radical index) and the mean fuel molecular weight which represent the rates of radical production and the fuel transport, respectively. (author)« less

Analysis performance of proton exchange membrane fuel cell (PEMFC)

NASA Astrophysics Data System (ADS)

Mubin, A. N. A.; Bahrom, M. H.; Azri, M.; Ibrahim, Z.; Rahim, N. A.; Raihan, S. R. S.

2017-06-01

Recently, the proton exchange membrane fuel cell (PEMFC) has gained much attention to the technology of renewable energy due to its mechanically ideal and zero emission power source. PEMFC performance reflects from the surroundings such as temperature and pressure. This paper presents an analysis of the performance of the PEMFC by developing the mathematical thermodynamic modelling using Matlab/Simulink. Apart from that, the differential equation of the thermodynamic model of the PEMFC is used to explain the contribution of heat to the performance of the output voltage of the PEMFC. On the other hand, the partial pressure equation of the hydrogen is included in the PEMFC mathematical modeling to study the PEMFC voltage behaviour related to the input variable input hydrogen pressure. The efficiency of the model is 33.8% which calculated by applying the energy conversion device equations on the thermal efficiency. PEMFC’s voltage output performance is increased by increasing the hydrogen input pressure and temperature.

Nitrogen Trifluoride-Based Fluoride- Volatility Separations Process: Initial Studies

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

McNamara, Bruce K.; Scheele, Randall D.; Casella, Andrew M.

2011-09-28

This document describes the results of our investigations on the potential use of nitrogen trifluoride as the fluorinating and oxidizing agent in fluoride volatility-based used nuclear fuel reprocessing. The conceptual process uses differences in reaction temperatures between nitrogen trifluoride and fuel constituents that produce volatile fluorides to achieve separations and recover valuable constituents. We provide results from our thermodynamic evaluations, thermo-analytical experiments, kinetic models, and provide a preliminary process flowsheet. The evaluations found that nitrogen trifluoride can effectively produce volatile fluorides at different temperatures dependent on the fuel constituent.

Biodegradation pattern of hydrocarbons from a fuel oil-type complex residue by an emulsifier-producing microbial consortium.

PubMed

Nievas, M L; Commendatore, M G; Esteves, J L; Bucalá, V

2008-06-15

The biodegradation of a hazardous waste (bilge waste), a fuel oil-type complex residue from normal ship operations, was studied in a batch bioreactor using a microbial consortium in seawater medium. Experiments with initial concentrations of 0.18 and 0.53% (v/v) of bilge waste were carried out. In order to study the biodegradation kinetics, the mass of n-alkanes, resolved hydrocarbons and unresolved complex mixture (UCM) hydrocarbons were assessed by gas chromatography (GC). Emulsification was detected in both experiments, possibly linked to the n-alkanes depletion, with differences in emulsification start times and extents according to the initial hydrocarbon concentration. Both facts influenced the hydrocarbon biodegradation kinetics. A sequential biodegradation of n-alkanes and UMC was found for the higher hydrocarbon content. Being the former growth associated, while UCM biodegradation was a non-growing process showing enzymatic-type biodegradation kinetics. For the lower hydrocarbon concentration, simultaneous biodegradation of n-alkanes and UMC were found before emulsification. Nevertheless, certain UCM biodegradation was observed after the medium emulsification. According to the observed kinetics, three main types of hydrocarbons (n-alkanes, biodegradable UCM and recalcitrant UCM) were found adequate to represent the multicomponent substrate (bilge waste) for future modelling of the biodegradation process.

Parametric and experimentally informed BWR Severe Accident Analysis Utilizing FeCrAl - M3FT-17OR020205041

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

Ott, Larry J.; Howell, Michael; Robb, Kevin R.

Iron-chromium-aluminum (FeCrAl) alloys are being considered as advanced fuel cladding concepts with enhanced accident tolerance. At high temperatures, FeCrAl alloys have slower oxidation kinetics and higher strength compared with zirconium-based alloys. FeCrAl could be used for fuel cladding and spacer or mixing vane grids in light water reactors and/or as channel box material in boiling water reactors (BWRs). There is a need to assess the potential gains afforded by the FeCrAl accident-tolerant-fuel (ATF) concept over the existing zirconium-based materials employed today. To accurately assess the response of FeCrAl alloys under severe accident conditions, a number of FeCrAl properties and characteristicsmore » are required. These include thermophysical properties as well as burst characteristics, oxidation kinetics, possible eutectic interactions, and failure temperatures. These properties can vary among different FeCrAl alloys. Oak Ridge National Laboratory has pursued refined values for the oxidation kinetics of the B136Y FeCrAl alloy (Fe-13Cr-6Al wt %). This investigation included oxidation tests with varying heating rates and end-point temperatures in a steam environment. The rate constant for the low-temperature oxidation kinetics was found to be higher than that for the commercial APMT FeCrAl alloy (Fe-21Cr-5Al-3Mo wt %). Compared with APMT, a 5 times higher rate constant best predicted the entire dataset (root mean square deviation). Based on tests following heating rates comparable with those the cladding would experience during a station blackout, the transition to higher oxidation kinetics occurs at approximately 1,500°C. A parametric study varying the low-temperature FeCrAl oxidation kinetics was conducted for a BWR plant using FeCrAl fuel cladding and channel boxes using the MELCOR code. A range of station blackout severe accident scenarios were simulated for a BWR/4 reactor with Mark I containment. Increasing the FeCrAl low-temperature oxidation rate constant (3 times and 10 times that of the rate constant for APMT) had a negligible impact on the early stages of the accident and minor impacts on the accident progression after the first relocation of the fuel. At temperatures below 1,500°C, increasing the rate constant for APMT by a factor of 10 still resulted in only minor FeCrAl oxidation. In general, the gains afforded by the FeCrAl enhanced ATF concept with respect to accident sequence timing and combustible gas generation are consistent with previous efforts. Compared with the traditional Zircaloy-based cladding and channel box system, the FeCrAl concept could provide a few extra hours of time for operators to take mitigating actions and/or for evacuations to take place. A coolable core geometry is retained longer, enhancing the ability to stabilize an accident. For example, a station blackout was simulated in which cooling water injection was lost 36 hours after shutdown. The timing to first fuel relocation was delayed by approximately 5 h for the FeCrAl ATF concept compared with that of the traditional Zircaloy-based cladding and channel box system.« less

A study into the impact of interface roughness development on mechanical degradation of oxides formed on zirconium alloys

NASA Astrophysics Data System (ADS)

Platt, P.; Wedge, S.; Frankel, P.; Gass, M.; Howells, R.; Preuss, M.

2015-04-01

As a cladding material used to encapsulate nuclear fuel pellets, zirconium alloys are the primary barrier separating the fuel and a pressurised steam or lithiated water environment. Degradation mechanisms such as oxidation can be the limiting factor in the life-time of the fuel assembly. Key to controlling oxidation, and therefore allowing increased burn-up of fuel, is the development of a mechanistic understanding of the corrosion process. In an autoclave, the oxidation kinetics for zirconium alloys are typically cyclical, with periods of accelerated kinetics being observed in steps of ∼2 μm oxide growth. These periods of accelerated oxidation are immediately preceded by the development of a layer of lateral cracks near the metal-oxide interface, which may be associated with the development of interface roughness. The present work uses scanning electron microscopy to carry out a statistical analysis of changes in the metal-oxide interface roughness between three different alloys at different stages of autoclave oxidation. The first two alloys are Zircaloy-4 and ZIRLO™ for which analysis is carried out at stages before, during and after first transition. The third alloy is an experimental low tin alloy, which under the same oxidation conditions and during the same time period does not appear to go through transition. Assessment of the metal-oxide interface roughness is primarily carried out based on the root mean square of the interface slope known as the Rdq parameter. Results show clear trends with relation to transition points in the corrosion kinetics. Discussion is given to how this relates to the existing mechanistic understanding of the corrosion process, and the components required for possible future modelling approaches.

Simulating flame lift-off characteristics of diesel and biodiesel fuels using detailed chemical-kinetic mechanisms and LES turbulence model.

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

Som, S; Longman, D. E.; Luo, Z

2012-01-01

Combustion in direct-injection diesel engines occurs in a lifted, turbulent diffusion flame mode. Numerous studies indicate that the combustion and emissions in such engines are strongly influenced by the lifted flame characteristics, which are in turn determined by fuel and air mixing in the upstream region of the lifted flame, and consequently by the liquid breakup and spray development processes. From a numerical standpoint, these spray combustion processes depend heavily on the choice of underlying spray, combustion, and turbulence models. The present numerical study investigates the influence of different chemical kinetic mechanisms for diesel and biodiesel fuels, as well asmore » Reynolds-averaged Navier-Stokes (RANS) and large eddy simulation (LES) turbulence models on predicting flame lift-off lengths (LOLs) and ignition delays. Specifically, two chemical kinetic mechanisms for n-heptane (NHPT) and three for biodiesel surrogates are investigated. In addition, the RNG k-{epsilon} (RANS) model is compared to the Smagorinsky based LES turbulence model. Using adaptive grid resolution, minimum grid sizes of 250 {micro}m and 125 {micro}m were obtained for the RANS and LES cases respectively. Validations of these models were performed against experimental data from Sandia National Laboratories in a constant volume combustion chamber. Ignition delay and flame lift-off validations were performed at different ambient temperature conditions. The LES model predicts lower ignition delays and qualitatively better flame structures compared to the RNG k-{epsilon} model. The use of realistic chemistry and a ternary surrogate mixture, which consists of methyl decanoate, methyl 9-decenoate, and NHPT, results in better predicted LOLs and ignition delays. For diesel fuel though, only marginal improvements are observed by using larger size mechanisms. However, these improved predictions come at a significant increase in computational cost.« less

Energy spectrum and kinetics of the fusing particles

NASA Astrophysics Data System (ADS)

Ryutov, D. D.; Putvinski, s. V.; Yushmanov, P. N.; TAE Team

2017-10-01

The fusing particles (e.g., D and T, or p and 11B) contribution to the reaction rate can be found by the integration of the fusion reactivity over the particle distribution functions. The distribution function (e.g., Maxwellian) is depleted in the energy range determined by the highest reactivity and has to be replenished by particle collisions. The kinetics of the replenishment process may affect the rate of fusion energy release. We present a simple analysis of the corresponding kinetic problems for the conditions typical for the standard and advanced-fuel fusion reactions and assess the possible effect on the reaction yield.

75 FR 9452 - Solicitation of Topics for Discussion at a Spent Fuel Storage and Transportation Licensing...

Federal Register 2010, 2011, 2012, 2013, 2014

2010-03-02

... NUCLEAR REGULATORY COMMISSION [NRC-2010-0076] Solicitation of Topics for Discussion at a Spent...: Solicitation of Topics for Discussion at a Spent Fuel Storage and Transportation Licensing Conference. SUMMARY: The U.S. Nuclear Regulatory Commission (NRC) is soliciting input on topics for discussion at a...

Regular Biology Students Learn Like AP Students with SUN

ERIC Educational Resources Information Center

Batiza, Ann; Luo, Wen; Zhang, Bo; Gruhl, Mary; Nelson, David; Hoelzer, Mark; Ning, Ling; Roberts, Marisa; Knopp, Jonathan; Harrington, Tom; LaFlamme, Donna; Haasch, Mary Anne; Vogt, Gina; Goodsell, David; Marcey, David

2016-01-01

The SUN approach to biological energy transfer education is fundamentally different from past practices that trace chemical and energy inputs and outputs. The SUN approach uses a hydrogen fuel cell to convince learners that electrons can move from one substance to another based on differential attraction. With a hydrogen fuel cell, learners can…

Development of a helicopter rotor/propulsion system dynamics analysis

NASA Technical Reports Server (NTRS)

Warmbrodt, W.; Hull, R.

1982-01-01

A time-domain analysis of coupled engine/drive train/rotor dynamics of a twin-engine, single main rotor helicopter model has been performed. The analysis incorporates an existing helicopter model with nonlinear simulations of a helicopter turboshaft engine and its fuel controller. System dynamic behavior is studied using the resulting simulation which included representations for the two engines and their fuel controllers, drive system, main rotor, tail rotor, and aircraft rigid body motions. Time histories of engine and rotor RPM response to pilot control inputs are studied for a baseline rotor and propulsion system model. Sensitivity of rotor RPM droop to fuel controller gain changes and collective input feed-forward gain changes are studied. Torque-load-sharing between the two engines is investigated by making changes in the fuel controller feedback paths. A linear engine model is derived from the nonlinear engine simulation and used in the coupled system analysis. This four-state linear engine model is then reduced to a three-state model. The effect of this simplification on coupled system behavior is shown.

Energy and cost savings results for advanced technology systems from the Cogeneration Technology Alternatives Study /CTAS/

NASA Technical Reports Server (NTRS)

Sagerman, G. D.; Barna, G. J.; Burns, R. K.

1979-01-01

The Cogeneration Technology Alternatives Study (CTAS), a program undertaken to identify the most attractive advanced energy conversion systems for industrial cogeneration applications in the 1985-2000 time period, is described, and preliminary results are presented. Two cogeneration options are included in the analysis: a topping application, in which fuel is input to the energy conversion system which generates electricity and waste heat from the conversion system is used to provide heat to the process, and a bottoming application, in which fuel is burned to provide high temperature process heat and waste heat from the process is used as thermal input to the energy conversion system which generates energy. Steam turbines, open and closed cycle gas turbines, combined cycles, diesel engines, Stirling engines, phosphoric acid and molten carbonate fuel cells and thermionics are examined. Expected plant level energy savings, annual energy cost savings, and other results of the economic analysis are given, and the sensitivity of these results to the assumptions concerning fuel prices, price of purchased electricity and the potential effects of regional energy use characteristics is discussed.

Trace element partitioning in ashes from boilers firing pure wood or mixtures of solid waste with respect to fuel composition, chlorine content and temperature.

PubMed

Saqib, Naeem; Bäckström, Mattias

2014-12-01

Trace element partitioning in solid waste (household waste, industrial waste, waste wood chips and waste mixtures) incineration residues was investigated. Samples of fly ash and bottom ash were collected from six incineration facilities across Sweden including two grate fired and four fluidized bed incinerators, to have a variation in the input fuel composition (from pure biofuel to mixture of waste) and different temperature boiler conditions. As trace element concentrations in the input waste at the same facilities have already been analyzed, the present study focuses on the concentration of trace elements in the waste fuel, their distribution in the incineration residues with respect to chlorine content of waste and combustion temperature. Results indicate that Zn, Cu and Pb are dominating trace elements in the waste fuel. Highly volatile elements mercury and cadmium are mainly found in fly ash in all cases; 2/3 of lead also end up in fly ash while Zn, As and Sb show a large variation in distribution with most of them residing in the fly ash. Lithophilic elements such as copper and chromium are mainly found in bottom ash from grate fired facilities while partition mostly into fly ash from fluidized bed incinerators, especially for plants fuelled by waste wood or ordinary wood chips. There is no specific correlation between input concentration of an element in the waste fuel and fraction partitioned to fly ash. Temperature and chlorine content have significant effects on partitioning characteristics by increasing the formation and vaporization of highly volatile metal chlorides. Zinc and cadmium concentrations in fly ash increase with the incineration temperature. Copyright © 2014 Elsevier Ltd. All rights reserved.

User Guide for VISION 3.4.7 (Verifiable Fuel Cycle Simulation) Model

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

Jacob J. Jacobson; Robert F. Jeffers; Gretchen E. Matthern

2011-07-01

The purpose of this document is to provide a guide for using the current version of the Verifiable Fuel Cycle Simulation (VISION) model. This is a complex model with many parameters and options; the user is strongly encouraged to read this user guide before attempting to run the model. This model is an R&D work in progress and may contain errors and omissions. It is based upon numerous assumptions. This model is intended to assist in evaluating 'what if' scenarios and in comparing fuel, reactor, and fuel processing alternatives at a systems level. The model is not intended as amore » tool for process flow and design modeling of specific facilities nor for tracking individual units of fuel or other material through the system. The model is intended to examine the interactions among the components of a fuel system as a function of time varying system parameters; this model represents a dynamic rather than steady-state approximation of the nuclear fuel system. VISION models the nuclear cycle at the system level, not individual facilities, e.g., 'reactor types' not individual reactors and 'separation types' not individual separation plants. Natural uranium can be enriched, which produces enriched uranium, which goes into fuel fabrication, and depleted uranium (DU), which goes into storage. Fuel is transformed (transmuted) in reactors and then goes into a storage buffer. Used fuel can be pulled from storage into either separation or disposal. If sent to separations, fuel is transformed (partitioned) into fuel products, recovered uranium, and various categories of waste. Recycled material is stored until used by its assigned reactor type. VISION is comprised of several Microsoft Excel input files, a Powersim Studio core, and several Microsoft Excel output files. All must be co-located in the same folder on a PC to function. You must use Powersim Studio 8 or better. We have tested VISION with the Studio 8 Expert, Executive, and Education versions. The Expert and Education versions work with the number of reactor types of 3 or less. For more reactor types, the Executive version is currently required. The input files are Excel2003 format (xls). The output files are macro-enabled Excel2007 format (xlsm). VISION 3.4 was designed with more flexibility than previous versions, which were structured for only three reactor types - LWRs that can use only uranium oxide (UOX) fuel, LWRs that can use multiple fuel types (LWR MF), and fast reactors. One could not have, for example, two types of fast reactors concurrently. The new version allows 10 reactor types and any user-defined uranium-plutonium fuel is allowed. (Thorium-based fuels can be input but several features of the model would not work.) The user identifies (by year) the primary fuel to be used for each reactor type. The user can identify for each primary fuel a contingent fuel to use if the primary fuel is not available, e.g., a reactor designated as using mixed oxide fuel (MOX) would have UOX as the contingent fuel. Another example is that a fast reactor using recycled transuranic (TRU) material can be designated as either having or not having appropriately enriched uranium oxide as a contingent fuel. Because of the need to study evolution in recycling and separation strategies, the user can now select the recycling strategy and separation technology, by year.« less

A genetically optimized kinetic model for ethanol electro-oxidation on Pt-based binary catalysts used in direct ethanol fuel cells

NASA Astrophysics Data System (ADS)

Sánchez-Monreal, Juan; García-Salaberri, Pablo A.; Vera, Marcos

2017-09-01

A one-dimensional model is proposed for the anode of a liquid-feed direct ethanol fuel cell. The complex kinetics of the ethanol electro-oxidation reaction is described using a multi-step reaction mechanism that considers free and adsorbed intermediate species on Pt-based binary catalysts. The adsorbed species are modeled using coverage factors to account for the blockage of the active reaction sites on the catalyst surface. The reaction rates are described by Butler-Volmer equations that are coupled to a one-dimensional mass transport model, which incorporates the effect of ethanol and acetaldehyde crossover. The proposed kinetic model circumvents the acetaldehyde bottleneck effect observed in previous studies by incorporating CH3CHOHads among the adsorbed intermediates. A multi-objetive genetic algorithm is used to determine the reaction constants using anode polarization and product selectivity data obtained from the literature. By adjusting the reaction constants using the methodology developed here, different catalyst layers could be modeled and their selectivities could be successfully reproduced.

Isothermal Ice Crystallization Kinetics in the Gas-Diffusion Layer of a Proton-Exchange-Membrane Fuel Cell

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

Dursch, Thomas J.; Ciontea, Monica A.; Radke, Clayton J.

2011-12-01

Nucleation and growth of ice in the fibrous gas-diffusion layer (GDL) of a proton-exchange membrane fuel cell (PEMFC) are studied using isothermal differential scanning calorimetry (DSC). Isothermal crystallization rates and pseudo-steady-state nucleation rates are obtained as a function of subcooling from heat-flow and induction-time measurements. Kinetics of ice nucleation and growth are studied at two polytetrafluoroethylene (PTFE) loadings (0 and 10 wt %) in a commercial GDL for temperatures between 240 and 273 K. A nonlinear ice-crystallization rate expression is developed using Johnson–Mehl–Avrami–Kolmogorov (JMAK) theory, in which the heat-transfer-limited growth rate is determined from the moving-boundary Stefan problem. Induction timesmore » follow a Poisson distribution and increase upon addition of PTFE, indicating that nucleation occurs more slowly on a hydrophobic fiber than on a hydrophilic fiber. The determined nucleation rates and induction times follow expected trends from classical nucleation theory. Finally, a validated rate expression is now available for predicting ice-crystallization kinetics in GDLs.« less

Enhancements to BISON U-Zr Metallic Fuel X447 Example Problem

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

Galloway, Jack D.; Matthews, Christopher; Unal, Cetin

As development of a metallic fuel modeling capability in BISON has progressed, the need for an example problem used as a comparison basis was observed. Collaborative work between researchers at Los Alamos National Laboratory (LANL) and Idaho National Laboratory (INL) then proceeded to determine a viable rod to use as the basis and create a BISON input deck utilizing as many metallic fuel models as feasible. The basis chosen was what would be considered a generic rod from subassembly X447, an assembly irradiated in EBR-II towards the end of its operating life, heavily based on reported data for fuel pinmore » DP11. Thus, the approach was adopted to use flow characteristics from subassembly X447 as a basis for the convective heat transfer solution, power history and axial power profiles that are representative of rod DP11 from subassembly X447. The rod simulated is a U-10Zr wt% (U-22.5Zr at%) composition. A 2D-RZ mesh would be used to capture axial thermal hydraulic effects, axial swelling and stress-strain calculations over the full length of the rod. After initial work was invested, a refinement of the various models and input parameters was conducted to ensure consistency between operator-declared conditions, model input requirements and those represented in the example problem. This report serves as a synopsis of the enhancements and refinements to the example problem conducted throughout the 2016 fiscal year.« less

Kinetics of inactivation and dilution effects on the mass balance of fungal phytopathogens in anaerobic digesters.

PubMed

Plöchl, Matthias; Heiermann, Monika; Rodemann, Bernd; Bandte, Martina; Büttner, Carmen

2014-01-15

Knowledge of fate and behavior of plant pathogens in the biogas production chain is limited and hampers the estimation and evaluation of the potential phytosanitary risk if digestate is spread on arable land as a fertilizer. Therefore, simulation is an appropriate tool to demonstrate the effects which influence the steady state of pathogen infected plant material in both digesters and digestate. Simple approaches of kinetics of inactivation and mass balances of infected material were carried out considering single-step as well as two-step digestion. The simulation revealed a very fast to fast reduction of infected material after a singular feeding, reaching a cutback to less than 1% of input within 4 days even for D90-values of 68 h. Steady state mass balances below input rate could be calculated with D90-values of less than 2 h at a continuous hourly feeding. At higher D90-values steady state mass balances exceed the input rate but are still clearly below the sum of input mass. Dilution further decreases mass balances to values 10(-5) to 10(-6) Mg m(-3) for first-step digestion and 10(-8) to 10(-9) for second-step. Copyright © 2013 Elsevier Ltd. All rights reserved.

Design, quality, and quality assurance of solid recovered fuels for the substitution of fossil feedstock in the cement industry.

PubMed

Sarc, R; Lorber, K E; Pomberger, R; Rogetzer, M; Sipple, E M

2014-07-01

This paper describes the requirements for the production, quality, and quality assurance of solid recovered fuels (SRF) that are increasingly used in the cement industry. Different aspects have to be considered before using SRF as an alternative fuel. Here, a study on the quality of SRF used in the cement industry is presented. This overview is completed by an investigation of type and properties of input materials used at waste splitting and SRF production plants in Austria. As a simplified classification, SRF can be divided into two classes: a fine, high-calorific SRF for the main burner, or coarser SRF material with low calorific value for secondary firing systems, such as precombustion chambers or similar systems. In the present study, SRFs coming from various sources that fall under these two different waste fuel classes are discussed. Both SRFs are actually fired in the grey clinker kiln of the Holcim (Slovensko) plant in Rohožnik (Slovakia). The fine premium-quality material is used in the main burner and the coarse regular-quality material is fed to a FLS Hotdisc combustion device. In general, the alternative fuels are used instead of their substituted fossil fuels. For this, chemical compositions and other properties of SRF were compared to hard coal as one of the most common conventional fuels in Europe. This approach allows to compare the heavy metal input from traditional and alternative fuels and to comment on the legal requirements on SRF that, at the moment, are under development in Europe. © The Author(s) 2014.

40 CFR Table 1 to Subpart Ddddd of... - Emission Limits for New or Reconstructed Boilers and Process Heaters

Code of Federal Regulations, 2014 CFR

2014-07-01

... fossil fuel a. Filterable PM (or TSM) 1.1E-03 lb per MMBtu of heat input; or (2.3E-05 lb per MMBtu of... designed to burn coal/solid fossil fuel a. Carbon monoxide (CO) (or CEMS) 130 ppm by volume on a dry basis... minimum sampling time. 4. Stokers designed to burn coal/solid fossil fuel a. CO (or CEMS) 130 ppm by...

MELCOR model for an experimental 17x17 spent fuel PWR assembly.

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

Cardoni, Jeffrey

2010-11-01

A MELCOR model has been developed to simulate a pressurized water reactor (PWR) 17 x 17 assembly in a spent fuel pool rack cell undergoing severe accident conditions. To the extent possible, the MELCOR model reflects the actual geometry, materials, and masses present in the experimental arrangement for the Sandia Fuel Project (SFP). The report presents an overview of the SFP experimental arrangement, the MELCOR model specifications, demonstration calculation results, and the input model listing.

Costs Associated With Compressed Natural Gas Vehicle Fueling Infrastructure

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

Smith, M.; Gonzales, J.

2014-09-01

This document is designed to help fleets understand the cost factors associated with fueling infrastructure for compressed natural gas (CNG) vehicles. It provides estimated cost ranges for various sizes and types of CNG fueling stations and an overview of factors that contribute to the total cost of an installed station. The information presented is based on input from professionals in the natural gas industry who design, sell equipment for, and/or own and operate CNG stations.

40 CFR Table C-1 to Subpart C of... - Default CO2 Emission Factors and High Heat Values for Various Types of Fuel

Code of Federal Regulations, 2011 CFR

2011-07-01

... Heat Values for Various Types of Fuel C Table C-1 to Subpart C of Part 98 Protection of Environment... Stationary Fuel Combustion Sources Pt. 98, Subpt. C, Table C-1 Table C-1 to Subpart C of Part 98—Default CO2... input from MSW and/or tires; and (c) small batch incinerators that combust no more than 1,000 tons of...

Semivolatile and volatile organic compound emissions from wood-fired hydronic heaters.

PubMed

Aurell, Johanna; Gullett, Brian K; Tabor, Dennis; Touati, Abderrahmane; Oudejans, Lukas

2012-07-17

Emissions including polychlorinated dibenzo-p-dioxins (PCDDs) and polychlorinated dibenzofurans (PCDFs), polyaromatic hydrocarbons (PAHs), and volatile organic compounds (VOCs), were sampled from different wood-fired hydronic heater (HH) technologies. Four commercially available HH technologies were studied: a single-stage conventional combustor with natural updraft, a three-stage downdraft combustion system, a bottom-fed pellet burner, and a two-stage heater with both a combustion and gasification chamber. The fuel consisted of three wood types (red oak, white pine, and white ash), one hardwood pellet brand, and one fuel mixture containing 95% red oak and 5% residential refuse by weight. The various HHs and fuel combinations were tested in a realistic homeowner fuel-charging scenario. Differences in emission levels were found between HH technologies and fuel types. PCDD/PCDF emissions ranged from 0.004 to 0.098 ng toxic equivalency/MJ(input) and PAHs from 0.49 to 54 mg/MJ(input). The former was increased by the presence of 5% by weight refuse. The white pine fuel had the highest PAH emission factor, while the bottom fed pellet burner had the lowest. The major VOCs emitted were benzene, acetylene, and propylene. The highest emissions of PAHs, VOCs, and PCDDs/PCDFs were observed with the conventional unit, likely due to the rapid changes in combustion conditions effected by the damper opening and closing.

Santa Clara County Planar Solid Oxide Fuel Cell Demonstration Project

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

Fred Mitlitsky; Sara Mulhauser; David Chien

2009-11-14

The Santa Clara County Planar Solid Oxide Fuel Cell (PSOFC) project demonstrated the technical viability of pre-commercial PSOFC technology at the County 911 Communications headquarters, as well as the input fuel flexibility of the PSOFC. PSOFC operation was demonstrated on natural gas and denatured ethanol. The Santa Clara County Planar Solid Oxide Fuel Cell (PSOFC) project goals were to acquire, site, and demonstrate the technical viability of a pre-commercial PSOFC technology at the County 911 Communications headquarters. Additional goals included educating local permit approval authorities, and other governmental entities about PSOFC technology, existing fuel cell standards and specific code requirements.more » The project demonstrated the Bloom Energy (BE) PSOFC technology in grid parallel mode, delivering a minimum 15 kW over 8760 operational hours. The PSOFC system demonstrated greater than 81% electricity availability and 41% electrical efficiency (LHV net AC), providing reliable, stable power to a critical, sensitive 911 communications system that serves geographical boundaries of the entire Santa Clara County. The project also demonstrated input fuel flexibility. BE developed and demonstrated the capability to run its prototype PSOFC system on ethanol. BE designed the hardware necessary to deliver ethanol into its existing PSOFC system. Operational parameters were determined for running the system on ethanol, natural gas (NG), and a combination of both. Required modeling was performed to determine viable operational regimes and regimes where coking could occur.« less

Bifurcation and extinction limit of stretched premixed flames with chain-branching intermediate kinetics and radiative loss

NASA Astrophysics Data System (ADS)

Zhang, Huangwei; Chen, Zheng

2018-05-01

Premixed counterflow flames with thermally sensitive intermediate kinetics and radiation heat loss are analysed within the framework of large activation energy. Unlike previous studies considering one-step global reaction, two-step chemistry consisting of a chain branching reaction and a recombination reaction is considered here. The correlation between the flame front location and stretch rate is derived. Based on this correlation, the extinction limit and bifurcation characteristics of the strained premixed flame are studied, and the effects of fuel and radical Lewis numbers as well as radiation heat loss are examined. Different flame regimes and their extinction characteristics can be predicted by the present theory. It is found that fuel Lewis number affects the flame bifurcation qualitatively and quantitatively, whereas radical Lewis number only has a quantitative influence. Stretch rates at the stretch and radiation extinction limits respectively decrease and increase with fuel Lewis number before the flammability limit is reached, while the radical Lewis number shows the opposite tendency. In addition, the relation between the standard flammability limit and the limit derived from the strained near stagnation flame is affected by the fuel Lewis number, but not by the radical Lewis number. Meanwhile, the flammability limit increases with decreased fuel Lewis number, but with increased radical Lewis number. Radical behaviours at flame front corresponding to flame bifurcation and extinction are also analysed in this work. It is shown that radical concentration at the flame front, under extinction stretch rate condition, increases with radical Lewis number but decreases with fuel Lewis number. It decreases with increased radiation loss.

Detailed and Simplified Chemical Kinetics of Aviation Fuels and Surrogates

DTIC Science & Technology

2009-11-12

Cyclopentene and Methyl-Cyclopentadiene Mixtures, Proc. Comb. Inst. 29:2291-2298 (2002). [13] Final Report, Computational Fluid Dynamics for...Determination of Total and Polycyclic Aromatic Hydrocarbons in Aviation Jet Fuel, Journal of Chromatography A (1- 2) 985 (2003), 197-203. [10] C. K...DiNaro, J. B. Howard, W. H. Green, J. W. Tester and J. W. Bozzelli, Elementary Reaction Mechanism for Benzene Oxidation in Supercritical Water, J

Detailed and Simplified Chemical Kinetics of Aviation Fuels and Surrogates

DTIC Science & Technology

2009-09-01

Cyclopentene and Methyl-Cyclopentadiene Mixtures, Proc. Comb. Inst. 29:2291-2298 (2002). [13] Final Report, Computational Fluid Dynamics for...Determination of Total and Polycyclic Aromatic Hydrocarbons in Aviation Jet Fuel, Journal of Chromatography A (1- 2) 985 (2003), 197-203. [10] C. K...DiNaro, J. B. Howard, W. H. Green, J. W. Tester and J. W. Bozzelli, Elementary Reaction Mechanism for Benzene Oxidation in Supercritical Water, J

Breeding of {sup 233}U in the thorium–uranium fuel cycle in VVER reactors using heavy water

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

Marshalkin, V. E., E-mail: marshalkin@vniief.ru; Povyshev, V. M.

A method is proposed for achieving optimal neutron kinetics and efficient isotope transmutation in the {sup 233}U–{sup 232}Th oxide fuel of water-moderated reactors with variable water composition (D{sub 2}O, H{sub 2}O) that ensures breeding of the {sup 233}U and {sup 235}U isotopes. The method is comparatively simple to implement.

Effect of Inlet Air Temperature on Auto-Ignition of Fuels with Different Cetane Number and Volatility

DTIC Science & Technology

2011-10-01

IGNITION OF FUELS WITH DIFFERENT CETANE NUMBER AND VOLATILITY Chandrasekharan Jayakumar Wayne State University Detroit, MI, USA. Ziliang Zheng...VOLATILITY 5a. CONTRACT NUMBER 5b. GRANT NUMBER 5c. PROGRAM ELEMENT NUMBER 6. AUTHOR(S) Eric Sattler; Walter Bryzik; Chandrasekharan Jayakumar ...diagnostics, chemical kinetics, and empirical validation”, SAE 1999-01-0509 8. Nargunde, J., Jayakumar , C., et. al., “Comparison between Combustion

Effects of temperature and pressure on the performance of a solid oxide fuel cell running on steam reformate of kerosene

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

Chick, Lawrence A.; Marina, Olga A.; Coyle, Christopher A.

2013-08-15

A button solid oxide fuel cell with a La0.6Sr0.4Co0.2Fe0.8O3 cathode and a nickel-YSZ anode was tested over a range of temperatures from 650 to 800°C and a range of pressures from 101 to 724 kPa. The fuel was simulated steam-reformed kerosene and the oxidant was air. The observed increases in open circuit voltages (OCV) were accurately predicted by the Nernst equation. Kinetics also increased, although the power boost due to kinetics was about two thirds as large as the boost due to OCV. The total power boost in going from 101 to 724 kPa at 750°C and 0.8 volts wasmore » 66%. Impedance spectroscopy demonstrated a significant decrease in electrodic losses at elevated pressures. Complex impedance spectra were dominated by a combination of low frequency processes that decreased markedly with increasing pressure. A composite of high-frequency processes also decreased with pressure, but to a lesser extent. An empirical algorithm that accurately predicts the increased fuel cell performance at elevated pressures was developed for our results and was also suitable for some, but not all, data reported in the literature.« less

Theoretical Kinetic Study of the Unimolecular Keto-Enol Tautomerism Propen-2-ol ↔ Acetone. Pressure Effects and Implications in the Pyrolysis of tert- and 2-Butanol.

PubMed

Grajales-González, E; Monge-Palacios, M; Sarathy, S Mani

2018-04-12

The need for renewable and cleaner sources of energy has made biofuels an interesting alternative to fossil fuels, especially in the case of butanol isomers, with its favorable blend properties and low hygroscopicity. Although C 4 alcohols are prospective fuels, some key reactions governing their pyrolysis and combustion have not been adequately studied, leading to incomplete kinetic models. Enols are important intermediates in the combustion of C 4 alcohols, as well as in atmospheric processes. Butanol reactions kinetics is poorly understood. Specifically, the unimolecular tautomerism of propen-2-ol ↔ acetone, which is included in butanol combustion kinetic models, is assigned rate parameters based on the tautomerism vinyl alcohol ↔ acetaldehyde as an analogy. In an attempt to update current kinetic models for tert- and 2-butanol, a theoretical kinetic study of the titled reaction was carried out by means of CCSD(T,FULL)/aug-cc-pVTZ//CCSD(T)/6-31+G(d,p) ab initio calculations, with multistructural torsional anharmonicity and variational transition state theory considerations in a wide temperature and pressure range (200-3000 K; 0.1-10 8 kPa). Results differ from vinyl alcohol ↔ acetaldehyde analogue reaction, which shows lower rate constant values. It was observed that decreasing pressure leads to a decrease in rate constants, describing the expected falloff behavior. Tunneling turned out to be important, especially at low temperatures. Accordingly, pyrolysis simulations in a batch reactor for tert- and 2-butanol with computed rate constants showed important differences in comparison with previous results, such as larger acetone yield and quicker propen-2-ol consumption.

Plasma Assisted Combustion: Flame Regimes and Kinetic Studies

DTIC Science & Technology

2015-01-05

Kinetic model Fuel: Dimethyl ether Oxidizer= (1-x)O2 + xO3, x=0 - 0.1, p=1 atm Ozone chemistry & Dimethyl ether model ...diffusional cool flames • A heated counterflow burner integrated with vaporization system1 • n-heptane/nitrogen vs. oxygen/ ozone • Ozone generator...micro-DBD) produces 2- 5 % of ozone in oxygen stream, depending on oxygen flow rate • Speciation profiles by using a micro-probe sampling with a

Onboard fuel reformers for fuel cell vehicles: Equilibrium, kinetic and system modeling

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

Kreutz, T.G.; Steinbugler, M.M.; Ogden, J.M.

1996-12-31

On-board reforming of liquid fuels to hydrogen for use in proton exchange membrane (PEM) fuel cell electric vehicles (FCEVs) has been the subject of numerous investigations. In many respects, liquid fuels represent a more attractive method of carrying hydrogen than compressed hydrogen itself, promising greater vehicle range, shorter refilling times, increased safety, and perhaps most importantly, utilization of the current fuel distribution infrastructure. The drawbacks of on-board reformers include their inherent complexity [for example a POX reactor includes: a fuel vaporizer, a reformer, water-gas shift reactors, a preferential oxidation (PROX) unit for CO cleanup, heat exchangers for thermal integration, sensorsmore » and controls, etc.], weight, and expense relative to compressed H{sub 2}, as well as degraded fuel cell performance due to the presence of inert gases and impurities in the reformate. Partial oxidation (POX) of automotive fuels is another alternative for hydrogen production. This paper provides an analysis of POX reformers and a fuel economy comparison of vehicles powered by on-board POX and SRM fuel processors.« less

The effects of particle swarm optimization algorithm on volume ignition gain of Proton-Lithium (7) pellets

NASA Astrophysics Data System (ADS)

Livari, As. Ali; Malekynia, B.; Livari, Ak. A.; Khoda-Bakhsh, R.

2017-11-01

When it was found out that the ignition of nuclear fusion hinges upon input energy laser, the efforts in order to make giant lasers began, and energy gains of DT fuel were obtained. But due to the neutrons generation and emitted radioactivity from DT reaction, gains of fuels like Proton-Lithium (7) were also adverted. Therefore, making larger and powerful lasers was followed. Here, using new versions of particle swarm optimization algorithm, it will be shown that available maximum gain of Proton-Lithium (7) is reached only at energies about 1014 J, and not only the highest input energy is not helpful but the efficiency is also decreased.

Erick A. White | NREL

Science.gov Websites

Erick A. White Photo of Erick A. White Erick White Chemical Reaction Engineer Erick.White@nrel.gov compounds to chemicals and fuels Numeric modeling of chemical reaction kinetics and reactor hydrodynamics

Fuel cell applied research: Electrocatalysis and materials

NASA Astrophysics Data System (ADS)

Srinivasan, S.; Isaacs, H.; McBreen, J.; Ogrady, W. E.; Olender, H.; Olmer, L. J.; Schouler, E. J. L.; Adzic, R. R.

1980-03-01

The effect of underpotential deposited metal layers on the electrocatalysis of fuel cell reactions is studied. The potential for developing organic compound/air fuel cells using underpotential deposited Pb adatoms to enhance the electrocatalysis of the fuel electrode is explored. The effects of adsorbed layers of Pb, Tl and Bi on formic acid and methanol oxidation on platinum in 85 percent H3PO4 were investigated. The effect of crystal orientation on formic acid oxidation on platinum in 1 M CHlO2 was investigated. The kinetics of the oxygen reduction and evolution reactions at the electrode (metal or oxide) solid electrolyte (yttria stabilized zirconia) interface were investigated using ac and dc techniques.

Evaluation of a recombinant insect-derived amylase performance in simultaneous saccharification and fermentation process with industrial yeasts.

PubMed

Celińska, Ewelina; Borkowska, Monika; Białas, Wojciech

2016-03-01

Starch is the dominant feedstock consumed for the bioethanol production, accounting for 60 % of its global production. Considering the significant contribution of bioethanol to the global fuel market, any improvement in its major operating technologies is economically very attractive. It was estimated that up to 40 % of the final ethanol unit price is derived from the energy input required for the substrate pre-treatment. Application of raw starch hydrolyzing enzymes (RSHE), combined with operation of the process according to a simultaneous saccharification and fermentation (SSF) strategy, constitutes the most promising solutions to the current technologies limitations. In this study, we expressed the novel RSHE derived from an insect in Saccharomyces cerevisiae strain dedicated for the protein overexpression. Afterwards, the enzyme performance was assessed in SSF process conducted by industrial ethanologenic or thermotolerant yeast species. Comparison of the insect-derived RSHE preparation with commercially available amylolytic RSH preparation was conducted. Our results demonstrate that the recombinant alpha-amylase from rice weevil can be efficiently expressed and secreted with its native signal peptide in S. cerevisiae INVSc-pYES2-Amy1 expression system (accounting for nearly 72 % of the strain's secretome). Application of the recombinant enzyme-based preparation in SSF process secured sufficient amylolytic activity for the yeast cell propagation and ethanol formation from raw starch. (Oligo)saccharide profiles generated by the compared preparations differed with respect to homogeneity of the sugar mixtures. Concomitantly, as demonstrated by a kinetic model developed in this study, the kinetic parameters describing activity of the compared preparations were different.

Photo-induced water oxidation at the aqueous GaN (101¯0) interface: Deprotonation kinetics of the first proton-coupled electron-transfer step

DOE PAGES

Ertem, Mehmed Z.; Kharche, Neerav; Batista, Victor S.; ...

2015-03-12

Photoeclectrochemical water splitting plays a key role in a promising path to the carbon-neutral generation of solar fuels. Wurzite GaN and its alloys ( e.g., GaN/ZnO and InGaN) are demonstrated photocatalysts for water oxidation, and they can drive the overall water splitting reaction when coupled with co-catalysts for proton reduction. In the present work, we investigate the water oxidation mechanism on the prototypical GaN (101¯0) surface using a combined ab initio molecular dynamics and molecular cluster model approach taking into account the role of water dissociation and hydrogen bonding within the first solvation shell of the hydroxylated surface. The investigationmore » of free-energy changes for the four proton-coupled electron-transfer (PCET) steps of the water oxidation mechanism shows that the first PCET step for the conversion of –Ga-OH to –Ga-O˙⁻ requires the highest energy input. We further examine the sequential PCETs, with the proton transfer (PT) following the electron transfer (ET), and find that photo-generated holes localize on surface –NH sites is thermodynamically more favorable than –OH sites. However, proton transfer from –OH sites with subsequent localization of holes on oxygen atoms is kinetically favored owing to hydrogen bonding interactions at the GaN (101¯0)–water interface. We find that the deprotonation of surface –OH sites is the limiting factor for the generation of reactive oxyl radical ion intermediates and consequently for water oxidation.« less

Energy balances of bioenergy crops (Miscanthus, maize, rapeseed) and their CO2-mitigation potential on a regional farm scale

NASA Astrophysics Data System (ADS)

Felten, D.; Emmerling, C.

2012-04-01

Increasing cultivation of energy crops in agriculture reveals the progressive substitution of fossil fuels, such as crude oil or brown coal. For the future development of renewable resources, the efficiency of different cropping systems will be crucial, as energy crops differ in terms of the energy needed for crop cultivation and refinement and the respective energy yield, e.g. per area. Here, balancing is certainly the most suitable method for the assessment of cropping system efficiency, contrasting energy inputs with energy outputs and the related CO2 emissions with potential CO2 credits due to substitution of fossil fuels, respectively. The aim of the present study was to calculate both energy and CO2 balances for rapeseed and maize, representing the recently most often cultivated energy crops in Germany, on a regional farm scale. Furthermore, special emphasis was made on perennial Miscanthus x giganteus, which is commonly used as a solid fuel for combustion. This C4-grass is of increasing interest due to its high yield potential accompanied by low requirements for soil tillage, weed control, and fertilization as well as long cultivation periods up to 25 years. In contrast to more general approaches, balances were calculated with local data from commercial farms. The site-specific consumption of diesel fuel was calculated using an online-based calculator, developed by the German Association for Technology and Structures in Agriculture (KTBL). By balancing each of the aforementioned cropping systems, our research focused on (i) the quantification of energy gains and CO2 savings due to fossil fuel substitution and (ii) the assessment of energy efficiency, expressed as the ratio of energy output to input. The energy input was highest for maize sites (33.8 GJ ha-1 yr-1), followed by rapeseed (18.2 GJ ha-1 yr-1), and Miscanthus (1.1 GJ ha-1 yr-1); corresponding energy yields were 129.5 GJ ha-1 yr-1 (maize), 83.6 GJ ha-1 yr-1 (rapeseed), and 259.7 GJ ha-1 yr-1 (Miscanthus), respectively. The energy output:input ratios were 3.83 (maize), 4.59 (rapeseed), and 236 (Miscanthus). The cultivation of rapeseed for biodiesel led to reduced CO2 emissions of 3.552 Mg ha-1 yr-1 due to substitution of diesel fuel. An amount of 9.312 Mg CO2 ha-1 yr-1 was saved by maize as co-ferment for biogas. Thereby, biogas was a substitute for electrical power from German energy mix (esp. nuclear power, utilization of coal), whereas the simultaneously used thermal energy was assumed to replace heating oil. Miscanthus cropping saved up to 18.540 Mg CO2 ha-1 yr-1 as a substitute for heating oil, including approx. 4 Mg CO2 ha-1 from organic carbon, which got sequestered within the soil organic matter due to site-remaining crop residues. In sum, each cropping system gained energy and reduced greenhouse gas emissions, although energy inputs and outputs differed significantly. High energy inputs for maize and rapeseed were mainly related to mineral N-fertilization. Also the need of methanol for biodiesel refining and the energy consumed by the biogas plant increased the total energy consumption markedly. Due to its low-input character, Miscanthus seems promising to fulfill several demands in the context of sustainability.

40 CFR 98.322 - GHGs to report.

Code of Federal Regulations, 2014 CFR

2014-07-01

... this subpart the CO2 emissions from coal mine gas CH4 destruction occurring at the facility, where the gas is not a fuel input for energy generation or use (e.g., flaring and VAM oxidation). (e) You must report under subpart C of this part (General Stationary Fuel Combustion Sources) the CO2, CH4, and N2O...

40 CFR 63.11237 - What definitions apply to this subpart?

Code of Federal Regulations, 2011 CFR

2011-07-01

... energy in the form of steam or hot water. Controlled flame combustion refers to a steady-state, or near... fossil fuel and no more than 15 percent biomass on an annual heat input basis. Commercial boiler means a... limited to, petroleum, distillate oil, residual oil, any form of liquid fuel derived from petroleum, used...

40 CFR 63.11237 - What definitions apply to this subpart?

Code of Federal Regulations, 2012 CFR

2012-07-01

... energy in the form of steam or hot water. Controlled flame combustion refers to a steady-state, or near... fossil fuel and no more than 15 percent biomass on an annual heat input basis. Commercial boiler means a... limited to, petroleum, distillate oil, residual oil, any form of liquid fuel derived from petroleum, used...

Alternative Fuels Data Center: Rightsizing Your Vehicle Fleet to Conserve

Science.gov Websites

reducing fuel use. When rightsizing, fleet managers should evaluate how important each vehicle is to the rentals when needed? Case Study The City of Detroit generated $1 million in revenue working with the Clean should consider soliciting input from drivers when conducting a rightsizing review, as they can be very

10 CFR 503.38 - Permanent exemption for certain fuel mixtures containing natural gas or petroleum.

Code of Federal Regulations, 2011 CFR

2011-01-01

... mixture of solar energy (including wind, tide, and other intermittent sources) and petroleum or natural gas, where: (1) Solar energy will account for at least 20 percent of the total annual Btu heat input... 10 Energy 4 2011-01-01 2011-01-01 false Permanent exemption for certain fuel mixtures containing...

10 CFR 503.38 - Permanent exemption for certain fuel mixtures containing natural gas or petroleum.

Code of Federal Regulations, 2012 CFR

2012-01-01

... mixture of solar energy (including wind, tide, and other intermittent sources) and petroleum or natural gas, where: (1) Solar energy will account for at least 20 percent of the total annual Btu heat input... 10 Energy 4 2012-01-01 2012-01-01 false Permanent exemption for certain fuel mixtures containing...

10 CFR 503.38 - Permanent exemption for certain fuel mixtures containing natural gas or petroleum.

Code of Federal Regulations, 2013 CFR

2013-01-01

... mixture of solar energy (including wind, tide, and other intermittent sources) and petroleum or natural gas, where: (1) Solar energy will account for at least 20 percent of the total annual Btu heat input... 10 Energy 4 2013-01-01 2013-01-01 false Permanent exemption for certain fuel mixtures containing...

10 CFR 503.38 - Permanent exemption for certain fuel mixtures containing natural gas or petroleum.

Code of Federal Regulations, 2014 CFR

2014-01-01

... mixture of solar energy (including wind, tide, and other intermittent sources) and petroleum or natural gas, where: (1) Solar energy will account for at least 20 percent of the total annual Btu heat input... 10 Energy 4 2014-01-01 2014-01-01 false Permanent exemption for certain fuel mixtures containing...

40 CFR Table 2 to Subpart Ddddd of... - Emission Limits for Existing Boilers and Process Heaters

Code of Federal Regulations, 2013 CFR

2013-07-01

... runduration . . . 1. Units in all subcategories designed to burn solid fuel a. HCl 2.2E-02 lb per MMBtu of...-02 lb per MMBtu of heat input; or (5.3E-05 lb per MMBtu of heat input) 4.2E-02 lb per MMBtu of steam... lb per MMBtu of heat input) 4.3E-02 lb per MMBtu of steam output or 5.2E-01 lb per MWh; or (2.8E-04...

China Macroeconomic Model. Specification Report, User’s Guide, Scenario Report, Trade Data Sources Report.

DTIC Science & Technology

1984-11-01

model, all linked to input-output flows from the relevant sector to all of the eleven sectors. They form an important analytical tool for gauging the...with very little in the way of intermediate inputs. However, most of coal is used up in intermediate inputs, as fuel for steel and other industrial...machine tools be developed even more rapidly as a domestic resource, rather than being imported? What about agricultural chemicals? China is unlikely

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

Hu, Shenyang; Lavender, Curt A.; Joshi, Vineet V.

Recrystallization plays an important role in swelling kinetics of irradiated metallic nuclear fuels. This talk will present a three-dimensional microstructure-dependent swelling model by integrating the evolution of intra-and inter- granular gas bubbles, dislocation loop density, and recrystallization.

Turbulent Radiation Effects in HSCT Combustor Rich Zone

NASA Technical Reports Server (NTRS)

Hall, Robert J.; Vranos, Alexander; Yu, Weiduo

1998-01-01

A joint UTRC-University of Connecticut theoretical program was based on describing coupled soot formation and radiation in turbulent flows using stretched flamelet theory. This effort was involved with using the model jet fuel kinetics mechanism to predict soot growth in flamelets at elevated pressure, to incorporate an efficient model for turbulent thermal radiation into a discrete transfer radiation code, and to couple die soot growth, flowfield, and radiation algorithm. The soot calculations used a recently developed opposed jet code which couples the dynamical equations of size-class dependent particle growth with complex chemistry. Several of the tasks represent technical firsts; among these are the prediction of soot from a detailed jet fuel kinetics mechanism, the inclusion of pressure effects in the soot particle growth equations, and the inclusion of the efficient turbulent radiation algorithm in a combustor code.

Development of Kinetics and Mathematical Models for High-Pressure Gasification of Lignite-Switchgrass Blends: Cooperative Research and Development Final Report, CRADA Number CRD-11-447

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

Iisa, Kristiina

2016-04-06

NREL will work with Participant as a subtier partner under DE-FOA-0000240 titled "Co-Production of Power, Fuels, and Chemicals via Coal/Biomass Mixtures." The goal of the project is to determine the gasification characteristics of switchgrass and lignite mixtures and develop kinetic models. NREL will utilize a pressurized thermogravimetric analyzer to measure the reactivity of chars generated in a pressurized entrained-flow reactor at Participant's facilities and to determine the evolution of gaseous species during pyrolysis of switchgrass-lignite mixtures. Mass spectrometry and Fourier-transform infrared analysis will be used to identify and quantify the gaseous species. The results of the project will aid inmore » defining key reactive properties of mixed coal biomass fuels.« less

Kinetics of low pressure CVD growth of SiO2 on InP and Si

NASA Technical Reports Server (NTRS)

Iyer, R.; Lile, D. L.

1988-01-01

The kinetics of low pressure CVD growth of SiO2 from SiH4 and O2 has been investigated for the case of an indirect (remote) plasma process. Homogeneous (gas phase) and heterogeneous operating ranges have been experimentally identified. The process was shown to be consistent within the heterogeneous surface-reaction dominated range of operation. A kinetic rate equation is given for growth at 14 W RF power input and 400 mtorr total pressure on both InP and Si substrates. The process exhibits an activation energy of 8.4 + or - 0.6 kcal/mol.

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

NASA Astrophysics Data System (ADS)

Lin, Jiefeng

Rising concerns of inadequate petroleum supply, volatile crude oil price, and adverse environmental impacts from using fossil fuels have spurred the United States to promote bio-fuel domestic production and develop advanced energy systems such as fuel cells. The present dissertation analyzed the bio-fuel applications in a solid oxide fuel cell-based auxiliary power unit from environmental, economic, and technological perspectives. Life cycle assessment integrated with thermodynamics was applied to evaluate the environmental impacts (e.g., greenhouse gas emission, fossil energy consumption) of producing bio-fuels from waste biomass. Landfill gas from municipal solid wastes and biodiesel from waste cooking oil are both suggested as the promising bio-fuel options. A nonlinear optimization model was developed with a multi-objective optimization technique to analyze the economic aspect of biodiesel-ethanol-diesel ternary blends used in transportation sectors and capture the dynamic variables affecting bio-fuel productions and applications (e.g., market disturbances, bio-fuel tax credit, policy changes, fuel specification, and technological innovation). A single-tube catalytic reformer with rhodium/ceria-zirconia catalyst was used for autothermal reformation of various heavy hydrocarbon fuels (e.g., diesel, biodiesel, biodiesel-diesel, and biodiesel-ethanol-diesel) to produce a hydrogen-rich stream reformates suitable for use in solid oxide fuel cell systems. A customized mixing chamber was designed and integrated with the reformer to overcome the technical challenges of heavy hydrocarbon reformation. A thermodynamic analysis, based on total Gibbs free energy minimization, was implemented to optimize the operating environment for the reformations of various fuels. This was complimented by experimental investigations of fuel autothermal reformation. 25% biodiesel blended with 10% ethanol and 65% diesel was determined to be viable fuel for use on a truck travelling with diesel engine and truck idling with fuel cell auxiliary power unit system. The customized nozzle used for fuel vaporization and mixing achieved homogenous atomization of input hydrocarbon fuels (e.g., diesel, biodiesel, diesel-biodiesel blend, and biodiesel-ethanol-diesel), and improved the performance of fuel catalytic reformation. Given the same operating condition (reforming temperature, total oxygen content, water input flow, and gas hourly space velocity), the hydrocarbon reforming performance follows the trend of diesel > biodiesel-ethanol-diesel > diesel-biodiesel blend > biodiesel (i.e., diesel catalytic reformation has the highest hydrogen production, lowest risk of carbon formation, and least possibility of hot spot occurrence). These results provide important new insight into the use of bio-fuels and bio-fuel blends as a primary fuel source for solid oxide fuel cell applications.

The Particle-in-Cell and Kinetic Simulation Software Center

NASA Astrophysics Data System (ADS)

Mori, W. B.; Decyk, V. K.; Tableman, A.; Fonseca, R. A.; Tsung, F. S.; Hu, Q.; Winjum, B. J.; An, W.; Dalichaouch, T. N.; Davidson, A.; Hildebrand, L.; Joglekar, A.; May, J.; Miller, K.; Touati, M.; Xu, X. L.

2017-10-01

The UCLA Particle-in-Cell and Kinetic Simulation Software Center (PICKSC) aims to support an international community of PIC and plasma kinetic software developers, users, and educators; to increase the use of this software for accelerating the rate of scientific discovery; and to be a repository of knowledge and history for PIC. We discuss progress towards making available and documenting illustrative open-source software programs and distinct production programs; developing and comparing different PIC algorithms; coordinating the development of resources for the educational use of kinetic software; and the outcomes of our first sponsored OSIRIS users workshop. We also welcome input and discussion from anyone interested in using or developing kinetic software, in obtaining access to our codes, in collaborating, in sharing their own software, or in commenting on how PICKSC can better serve the DPP community. Supported by NSF under Grant ACI-1339893 and by the UCLA Institute for Digital Research and Education.

Potential for ag residue collection, economics and environmental benefits

NASA Astrophysics Data System (ADS)

Hettenhaus, J. R.

2003-12-01

Removing excess corn stover and cereal straws after erosion requirements have been satisfied offers much potential as a renewable feedstock for initial biorefineries, producing fuels, chemicals and materials while reducing crop inputs, increasing farm income and offsetting greenhouse gas emissions. Two biorefinery site studies are presented for the production of fuel ethanol: SW Nebraska and Western Oklahoma. Results include excess available, delivered cost, net income to the farmer, improved SOM from move to no-till and GHG reduction from fossil fuel offset

Hydrogen-enrichment-concept preliminary evaluation

NASA Technical Reports Server (NTRS)

Ecklund, E. E.

1975-01-01

A hydrogen-enriched fuels concept for automobiles is described and evaluated in terms of fuel consumption and engine exhaust emissions through multicylinder (V-8) automotive engine/hydrogen generator tests, single cylinder research engine (CFR) tests, and hydrogen-generator characterization tests. Analytical predictions are made of the fuel consumption and NO/sub x/ emissions which would result from anticipated engine improvements. The hydrogen-gas generator, which was tested to quantify its thermodynamic input-output relationships was used for integrated testing of the V-8 engine and generator.

Analysis on electronic control unit of continuously variable transmission

NASA Astrophysics Data System (ADS)

Cao, Shuanggui

Continuously variable transmission system can ensure that the engine work along the line of best fuel economy, improve fuel economy, save fuel and reduce harmful gas emissions. At the same time, continuously variable transmission allows the vehicle speed is more smooth and improves the ride comfort. Although the CVT technology has made great development, but there are many shortcomings in the CVT. The CVT system of ordinary vehicles now is still low efficiency, poor starting performance, low transmission power, and is not ideal controlling, high cost and other issues. Therefore, many scholars began to study some new type of continuously variable transmission. The transmission system with electronic systems control can achieve automatic control of power transmission, give full play to the characteristics of the engine to achieve optimal control of powertrain, so the vehicle is always traveling around the best condition. Electronic control unit is composed of the core processor, input and output circuit module and other auxiliary circuit module. Input module collects and process many signals sent by sensor and , such as throttle angle, brake signals, engine speed signal, speed signal of input and output shaft of transmission, manual shift signals, mode selection signals, gear position signal and the speed ratio signal, so as to provide its corresponding processing for the controller core.

Theoretical performance of hydrogen-bromine rechargeable SPE fuel cell

NASA Technical Reports Server (NTRS)

Savinell, Robert F.; Fritts, S. D.

1987-01-01

A mathematical model was formulated to describe the performance of a hydrogen-bromine fuel cell. Porous electrode theory was applied to the carbon felt flow-by electrode and was coupled to theory describing the solid polymer electrolyte (SPE) system. Parametric studies using the numerical solution to this model were performed to determine the effect of kinetic, mass transfer, and design parameters on the performance of the fuel cell. The results indicate that the cell performance is most sensitive to the transport properties of the SPE membrane. The model was also shown to be a useful tool for scale-up studies.

Uranyl peroxide enhanced nuclear fuel corrosion in seawater.

PubMed

Armstrong, Christopher R; Nyman, May; Shvareva, Tatiana; Sigmon, Ginger E; Burns, Peter C; Navrotsky, Alexandra

2012-02-07

The Fukushima-Daiichi nuclear accident brought together compromised irradiated fuel and large amounts of seawater in a high radiation field. Based on newly acquired thermochemical data for a series of uranyl peroxide compounds containing charge-balancing alkali cations, here we show that nanoscale cage clusters containing as many as 60 uranyl ions, bonded through peroxide and hydroxide bridges, are likely to form in solution or as precipitates under such conditions. These species will enhance the corrosion of the damaged fuel and, being thermodynamically stable and kinetically persistent in the absence of peroxide, they can potentially transport uranium over long distances.

Influence of a doping by Al stainless steel on kinetics and character of interaction with the metallic nuclear fuel

NASA Astrophysics Data System (ADS)

Nikitin, S. N.; Shornikov, D. P.; Tarasov, B. A.; Baranov, V. G.

2016-04-01

Metallic nuclear fuel is a perspective kind of fuel for fast reactors. In this paper we conducted a study of the interaction between uranium-molybdenum alloy and ferritic- martensitic steels with additions of aluminum at a temperature of 700 ° C for 25 hours. The rate constants of the interaction layer growth at 700 °C is about 2.8.10-14 m2/s. It is established that doping Al stainless steel leads to decrease in interaction with uranium-molybdenum alloys. The phase composition of the interaction layer is determined.

Detonability of hydrocarbon fuels in air

NASA Technical Reports Server (NTRS)

Beeson, H. D.; Mcclenagan, R. D.; Bishop, C. V.; Benz, F. J.; Pitz, W. J.; Westbrook, C. K.; Lee, J. H. S.

1991-01-01

Studies were conducted of the detonation of gas-phase mixtures of n-hexane and JP-4, with oxidizers as varied as air and pure oxygen, measuring detonation velocities and cell sizes as a function of stoichiometry and diluent concentration. The induction length of a one-dimensional Zeldovich-von Neumann-Doering detonation was calculated on the basis of a theoretical model that employed the reaction kinetics of the hydrocarbon fuels used. Critical energy and critical tube diameter are compared for a relative measure of the heavy hydrocarbon fuels studied; detonation sensitivity appears to increase slightly with increasing carbon number.

Uranyl peroxide enhanced nuclear fuel corrosion in seawater

PubMed Central

Armstrong, Christopher R.; Nyman, May; Shvareva, Tatiana; Sigmon, Ginger E.; Burns, Peter C.; Navrotsky, Alexandra

2012-01-01

The Fukushima-Daiichi nuclear accident brought together compromised irradiated fuel and large amounts of seawater in a high radiation field. Based on newly acquired thermochemical data for a series of uranyl peroxide compounds containing charge-balancing alkali cations, here we show that nanoscale cage clusters containing as many as 60 uranyl ions, bonded through peroxide and hydroxide bridges, are likely to form in solution or as precipitates under such conditions. These species will enhance the corrosion of the damaged fuel and, being thermodynamically stable and kinetically persistent in the absence of peroxide, they can potentially transport uranium over long distances. PMID:22308442

Transport Phenomena and Interfacial Kinetics in Planar Microfluidic Membraneless Fuel Cells

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

Abruna, Hector Daniel

2013-08-01

Our work is focused on membraneless laminar flow fuel cells, an unconventional fuel cell technology, intended to create a system that not only avoids most typical fuel cell drawbacks, but also achieves the highest power density yet recorded for a non-H{sub 2} fuel cell. We have employed rigorous electrochemistry to characterize the high-energy- density fuel BH4-, providing important mechanistic insight for anode catalyst choice and avoiding deleterious side reactions. Numerous fuel cell oxidants, used in place of O{sub 2}, are compared in a detailed, uniform manner, and a powerful new oxidant, cerium ammonium nitrate (CAN), is described. The high-voltage BH{submore » 4}{sup -}/CAN fuel/oxidant combination is employed in a membraneless, room temperature, laminar-flow fuel cell, with herringbone micromixers which provide chaotic-convective flow which, in turn, enhances both the power output and efficiency of the device. We have also been involved in the design of a scaled-up version of the membraneless laminar flow fuel cell intended to provide a 10W output.« less

Maximum Entropy Approach in Dynamic Contrast-Enhanced Magnetic Resonance Imaging.

PubMed

Farsani, Zahra Amini; Schmid, Volker J

2017-01-01

In the estimation of physiological kinetic parameters from Dynamic Contrast-Enhanced Magnetic Resonance Imaging (DCE-MRI) data, the determination of the arterial input function (AIF) plays a key role. This paper proposes a Bayesian method to estimate the physiological parameters of DCE-MRI along with the AIF in situations, where no measurement of the AIF is available. In the proposed algorithm, the maximum entropy method (MEM) is combined with the maximum a posterior approach (MAP). To this end, MEM is used to specify a prior probability distribution of the unknown AIF. The ability of this method to estimate the AIF is validated using the Kullback-Leibler divergence. Subsequently, the kinetic parameters can be estimated with MAP. The proposed algorithm is evaluated with a data set from a breast cancer MRI study. The application shows that the AIF can reliably be determined from the DCE-MRI data using MEM. Kinetic parameters can be estimated subsequently. The maximum entropy method is a powerful tool to reconstructing images from many types of data. This method is useful for generating the probability distribution based on given information. The proposed method gives an alternative way to assess the input function from the existing data. The proposed method allows a good fit of the data and therefore a better estimation of the kinetic parameters. In the end, this allows for a more reliable use of DCE-MRI. Schattauer GmbH.

Hydrogen Production via a High-Efficiency Low-Temperature Reformer

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

Paul KT Liu; Theo T. Tsotsis

2006-05-31

Fuel cells are promoted by the US government as a viable alternative for clean and efficient energy generation. It is anticipated that the fuel cell market will rise if the key technical barriers can be overcome. One of them is certainly fuel processing and purification. Existing fuel reforming processes are energy intensive, extremely complicated and capital intensive; these disadvantages handicap the scale-down of existing reforming process, targeting distributed or on-board/stationary hydrogen production applications. Our project involves the bench-scale demonstration of a high-efficiency low-temperature steam reforming process. Hydrogen production can be operated at 350 to 400ºC with our invention, as opposedmore » to >800ºC of existing reforming. In addition, our proposed process improves the start-up deficiency of conventional reforming due to its low temperature operation. The objective of this project is to demonstrate the invented process concept via a bench scale unit and verify mathematical simulation for future process optimization study. Under this project, we have performed the experimental work to determine the adsorption isotherm, reaction kinetics, and membrane permeances required to perform the process simulation based upon the mathematical model developed by us. A ceramic membrane coated with palladium thin film fabricated by us was employed in this study. The adsorption isotherm for a selected hydrotalcite adsorbent was determined experimentally. Further, the capacity loss under cyclic adsorption/desorption was confirmed to be negligible. Finally a commercial steam reforming catalyst was used to produce the reaction kinetic parameters required for the proposed operating condition. With these input parameters, a mathematical simulation was performed to predict the performance of the invented process. According to our simulation, our invented hybrid process can deliver 35 to 55% methane conversion, in comparison with the 12 and 18-21% conversion of the packed bed and an adsorptive reactor respectively. In addition CO contamination with <10 to 120 ppm is predicted for the invented process depending upon the cycle time for the PSA type operation. In comparison, the adsorption reactor can also deliver a similar CO contaminant at the low end; however, its high end reaches as high as 300 ppm based upon the simulation of our proposed operating condition. Our experimental results for the packed bed and the membrane reactor deliver 12 and 18% conversion at 400°C, approaching the conversion by the mathematical simulation. Due to the time constraint, the experimental study on the conversion of the invented process has not been complete. However, our in-house study using a similar process concept for the water gas shift reaction has demonstrated the reliability of our mathematical simulation for the invented process. In summary, we are confident that the invented process can deliver efficiently high purity hydrogen at a low temperature (~400°C). According to our projection, the invented process can further achieve 5% energy savings and ~50% capital savings over conventional reforming for fuel cell applications. The pollution abatement potential associated with the implementation of fuel cells, including the elimination of nitrogen oxides and CO, and the reduction in volatile organics and CO2, can thus be realized with the implementation of this invented process. The projected total market size for equipment sale for the proposed process in US is $1.5 billion annually.« less

Limiting Energy Dissipation Induces Glassy Kinetics in Single-Cell High-Precision Responses.

PubMed

Das, Jayajit

2016-03-08

Single cells often generate precise responses by involving dissipative out-of-thermodynamic-equilibrium processes in signaling networks. The available free energy to fuel these processes could become limited depending on the metabolic state of an individual cell. How does limiting dissipation affect the kinetics of high-precision responses in single cells? I address this question in the context of a kinetic proofreading scheme used in a simple model of early-time T cell signaling. Using exact analytical calculations and numerical simulations, I show that limiting dissipation qualitatively changes the kinetics in single cells marked by emergence of slow kinetics, large cell-to-cell variations of copy numbers, temporally correlated stochastic events (dynamic facilitation), and ergodicity breaking. Thus, constraints in energy dissipation, in addition to negatively affecting ligand discrimination in T cells, can create a fundamental difficulty in determining single-cell kinetics from cell-population results. Copyright © 2016 Biophysical Society. Published by Elsevier Inc. All rights reserved.

Progress in the Production of JP-8 Based Hydrogen and Advanced Tactical Fuels for Military Applications

DTIC Science & Technology

2011-02-01

of a multi- year program to develop, optimize, and demonstrate the military viability of a technology for on-demand production of high...continuous reactor system used for kinetic rate data experiment 86 52 Schematic of a differential reactor. The catalyst bed is kept small , and...program to develop, optimize, and demonstrate the military viability of a technology for on-demand production of high-pressure hydrogen for fuel

Generation of Comprehensive Surrogate Kinetic Models and Validation Databases for Simulating Large Molecular Weight Hydrocarbon Fuels

DTIC Science & Technology

2012-10-25

of hydrogen/ carbon molar ratio (H/C), derived cetane number (DCN), threshold sooting index (TSI), and average mean molecular weight (MWave) of...diffusive soot extinction configurations. Matching the “real fuel combustion property targets” of hydrogen/ carbon molar ratio (H/C), derived cetane number...combustion property targets - hydrogen/ carbon molar ratio (H/C), derived cetane number (DCN), threshold sooting index (TSI), and average mean

PROGRESS IN DETAILED KINETIC MODELING OF THE COMBUSTION OF OXYGENATED COMPONENTS OF BIOFUELS

PubMed Central

Sy Tran, Luc; Sirjean, Baptiste; Glaude, Pierre-Alexandre; Fournet, René; Battin-Leclerc, Frédérique

2013-01-01

Due to growing environmental concerns and diminishing petroleum reserves, a wide range of oxygenated species has been proposed as possible substitutes to fossil fuels: alcohols, methyl esters, acyclic and cyclic ethers. After a short review the major detailed kinetic models already proposed in the literature for the combustion of these molecules, the specific classes of reactions considered for modeling the oxidation of acyclic and cyclic oxygenated molecules respectively, are detailed. PMID:23700355

The Effect of Ethanol Addition to Gasoline on Low- and Intermediate-Temperature Heat Release under Boosted Conditions in Kinetically Controlled Engines

NASA Astrophysics Data System (ADS)

Vuilleumier, David Malcolm

The detailed study of chemical kinetics in engines has become required to further advance engine efficiency while simultaneously lowering engine emissions. This push for higher efficiency engines is not caused by a lack of oil, but by efforts to reduce anthropogenic carbon dioxide emissions, that cause global warming. To operate in more efficient manners while reducing traditional pollutant emissions, modern internal combustion piston engines are forced to operate in regimes in which combustion is no longer fully transport limited, and instead is at least partially governed by chemical kinetics of combusting mixtures. Kinetically-controlled combustion allows the operation of piston engines at high compression ratios, with partially-premixed dilute charges; these operating conditions simultaneously provide high thermodynamic efficiency and low pollutant formation. The investigations presented in this dissertation study the effect of ethanol addition on the low-temperature chemistry of gasoline type fuels in engines. These investigations are carried out both in a simplified, fundamental engine experiment, named Homogeneous Charge Compression Ignition, as well as in more applied engine systems, named Gasoline Compression Ignition engines and Partial Fuel Stratification engines. These experimental investigations, and the accompanying modeling work, show that ethanol is an effective scavenger of radicals at low temperatures, and this inhibits the low temperature pathways of gasoline oxidation. Further, the investigations measure the sensitivity of gasoline auto-ignition to system pressure at conditions that are relevant to modern engines. It is shown that at pressures above 40 bar and temperatures below 850 Kelvin, gasoline begins to exhibit Low-Temperature Heat Release. However, the addition of 20% ethanol raises the pressure requirement to 60 bar, while the temperature requirement remains unchanged. These findings have major implications for a range of modern engines. Low-Temperature Heat Release significantly enhances the auto-ignition process, which limits the conditions under which advanced combustion strategies may operate. As these advanced combustion strategies are required to meet emissions and fuel-economy regulations, the findings of this dissertation may benefit and be incorporated into future engine design toolkits, such as detailed chemical kinetic mechanisms.

Studies of Methane Counterflow Flames at Low Pressures

NASA Astrophysics Data System (ADS)

Burrell, Robert Roe

Methane is the smallest hydrocarbon molecule, the fuel most widely studied in fundamental flame structure studies, and a major component of natural gas. Despite many decades of research into the fundamental chemical kinetics involved in methane oxidation, ongoing advancements in research suggest that more progress can be made. Though practical combustors of industrial and commercial significance operate at high pressures and turbulent flow conditions, fundamental understanding of combustion chemistry in flames is more readily obtained for low pressure and laminar flow conditions. Measurements were performed from 1 to 0.1 atmospheres for premixed methane/air and non-premixed methane-nitrogen/oxygen flames in a counterflow. Comparative modeling with quasi-one-dimensional strained flame codes revealed bias-induced errors in measured velocities up to 8% at 0.1 atmospheres due to tracer particle phase velocity slip in the low density gas reacting flow. To address this, a numerically-assisted correction scheme consisting of direct simulation of the particle phase dynamics in counterflow was implemented. Addition of reactions describing the prompt dissociation of formyl radicals to an otherwise unmodified USC Mech II kinetic model was found to enhance computed flame reactivity and substantially improve the predictive capability of computed results for measurements at the lowest pressures studied. Yet, the same modifications lead to overprediction of flame data at 1 atmosphere where results from the unmodified USC Mech II kinetic mechanism agreed well with ambient pressure flame data. The apparent failure of a single kinetic model to capture pressure dependence in methane flames motivates continued skepticism regarding the current understanding of pressure dependence in kinetic models, even for the simplest fuels.

Fuel cells: principles, types, fuels, and applications.

PubMed

Carrette, L; Friedrich, K A; Stimming, U

2000-12-15

During the last decade, fuel cells have received enormous attention from research institutions and companies as novel electrical energy conversion systems. In the near future, they will see application in automotive propulsion, distributed power generation, and in low power portable devices (battery replacement). This review gives an introduction into the fundamentals and applications of fuel cells: Firstly, the environmental and social factors promoting fuel cell development are discussed, with an emphasis on the advantages of fuel cells compared to the conventional techniques. Then, the main reactions, which are responsible for the conversion of chemical into electrical energy in fuel cells, are given and the thermodynamic and kinetic fundamentals are stated. The theoretical and real efficiencies of fuel cells are also compared to that of internal combustion engines. Next, the different types of fuel cells and their main components are explained and the related material issues are presented. A section is devoted to fuel generation and storage, which is of paramount importance for the practical aspects of fuel cell use. Finally, attention is given to the integration of the fuel cells into complete systems. © 2000 WILEY-VCH Verlag GmbH, Weinheim, Fed. Rep. of Germany.

Safety considerations in testing a fuel-rich aeropropulsion gas generator

NASA Technical Reports Server (NTRS)

Rollbuhler, R. James; Hulligan, David D.

1991-01-01

A catalyst containing reactor is being tested using a fuel-rich mixture of Jet A fuel and hot input air. The reactor product is a gaseous fuel that can be utilized in aeropropulsion gas turbine engines. Because the catalyst material is susceptible to damage from high temperature conditions, fuel-rich operating conditions are attained by introducing the fuel first into an inert gas stream in the reactor and then displacing the inert gas with reaction air. Once a desired fuel-to-air ratio is attained, only limited time is allowed for a catalyst induced reaction to occur; otherwise the inert gas is substituted for the air and the fuel flow is terminated. Because there presently is not a gas turbine combustor in which to burn the reactor product gas, the gas is combusted at the outlet of the test facility flare stack. This technique in operations has worked successfully in over 200 tests.

Evaluation of a hybrid kinetics/mixing-controlled combustion model for turbulent premixed and diffusion combustion using KIVA-II

NASA Technical Reports Server (NTRS)

Nguyen, H. Lee; Wey, Ming-Jyh

1990-01-01

Two-dimensional calculations were made of spark ignited premixed-charge combustion and direct injection stratified-charge combustion in gasoline fueled piston engines. Results are obtained using kinetic-controlled combustion submodel governed by a four-step global chemical reaction or a hybrid laminar kinetics/mixing-controlled combustion submodel that accounts for laminar kinetics and turbulent mixing effects. The numerical solutions are obtained by using KIVA-2 computer code which uses a kinetic-controlled combustion submodel governed by a four-step global chemical reaction (i.e., it assumes that the mixing time is smaller than the chemistry). A hybrid laminar/mixing-controlled combustion submodel was implemented into KIVA-2. In this model, chemical species approach their thermodynamics equilibrium with a rate that is a combination of the turbulent-mixing time and the chemical-kinetics time. The combination is formed in such a way that the longer of the two times has more influence on the conversion rate and the energy release. An additional element of the model is that the laminar-flame kinetics strongly influence the early flame development following ignition.

Evaluation of a hybrid kinetics/mixing-controlled combustion model for turbulent premixed and diffusion combustion using KIVA-2

NASA Technical Reports Server (NTRS)

Nguyen, H. Lee; Wey, Ming-Jyh

1990-01-01

Two dimensional calculations were made of spark ignited premixed-charge combustion and direct injection stratified-charge combustion in gasoline fueled piston engines. Results are obtained using kinetic-controlled combustion submodel governed by a four-step global chemical reaction or a hybrid laminar kinetics/mixing-controlled combustion submodel that accounts for laminar kinetics and turbulent mixing effects. The numerical solutions are obtained by using KIVA-2 computer code which uses a kinetic-controlled combustion submodel governed by a four-step global chemical reaction (i.e., it assumes that the mixing time is smaller than the chemistry). A hybrid laminar/mixing-controlled combustion submodel was implemented into KIVA-2. In this model, chemical species approach their thermodynamics equilibrium with a rate that is a combination of the turbulent-mixing time and the chemical-kinetics time. The combination is formed in such a way that the longer of the two times has more influence on the conversion rate and the energy release. An additional element of the model is that the laminar-flame kinetics strongly influence the early flame development following ignition.

Structural and kinetic studies of metal hydride hydrogen storage materials using thin film deposition and characterization techniques

NASA Astrophysics Data System (ADS)

Kelly, Stephen Thomas

Hydrogen makes an attractive energy carrier for many reasons. It is an abundant chemical fuel that can be produced from a wide variety of sources and stored for very long periods of time. When used in a fuel cell, hydrogen emits only water at the point of use, making it very attractive for mobile applications such as in an automobile. Metal hydrides are promising candidates for on-board reversible hydrogen storage in mobile applications due to their very high volumetric storage capacities---in most cases exceeding even that of liquid hydrogen. The United States Department of Energy (DOE) has set fuel system targets for an automotive hydrogen storage system, but as of yet no single material meets all the requirements. In particular, slow reaction kinetics and/or inappropriate thermodynamics plague many metal hydride hydrogen storage materials. In order to engineer a practical material that meets the DOE targets, we need a detailed understanding of the kinetic and thermodynamic properties of these materials during the phase change. In this work I employed sputter deposited thin films as a platform to study materials with highly controlled chemistry, microstructure and catalyst placement using thin film characterization techniques such as in situ x-ray diffraction (XRD) and neutron reflectivity. I observed kinetic limitations in the destabilized Mg2Si system due to the slow diffusion of the host Mg and Si atoms while forming separate MgH2 and Si phases. Conversely, I observed that the presence of Al in the Mg/Al system inhibits hydrogen diffusion while the host Mg and Al atoms interdiffuse readily, allowing the material to fall into a kinetic and/or thermodynamic trap by forming intermetallic compounds such as Mg17Al 12. By using in situ XRD to analyze epitaxial Mg films grown on (001) oriented Al2O3 substrates I observed hydride growth consistent with a model of a planar hydride layer growing into an existing metal layer. Subsequent film cycling changes the hydrogen absorption and desorption kinetics and degrades the material texture. Cycling the films to greater hydrogen loading accelerates the changes to the kinetics and material texture. In addition to in situ XRD experiments, in situ neutron reflectivity experiments on epitaxial Mg films exposed to hydrogen gas reveal details about the microstructural development of the growing hydride layer as the film absorbs and releases hydrogen. Small (10 wt%) additions of Ti to epitaxial Mg films during growth result in metastable solid solution films of Ti in Mg that deposit epitaxially on (001) Al2O3 substrates with epitaxy similar to the pure Mg films. These metastable alloy films absorb hydrogen faster than pure Mg films under identical conditions. Subsequent film cycling results in altered reaction kinetics and a transition to a different kinetic mechanism during desorption than for pure Mg films.

40 CFR Table 13 to Subpart Ddddd... - Alternative Emission Limits for New or Reconstructed Boilers and Process Heaters That Commenced...

Code of Federal Regulations, 2013 CFR

2013-07-01

... oxygen 1 hr minimum sampling time. b. Filterable PM (or TSM) 3.2E-01 lb per MMBtu of heat input; or (4.0E... per run. 13. Units designed to burn liquid fuel a. HCl 1.2E-03 lb per MMBtu of heat input For M26A...

Empirical evidence that soil carbon formation from plant inputs is positively related to microbial growth

Treesearch

Mark A. Bradford; Ashley D. Keiser; Christian A. Davies; Calley A. Mersmann; Michael S. Strickland

2012-01-01

Plant-carbon inputs to soils in the form of dissolved sugars, organic acids and amino acids fuel much of heterotrophic microbial activity belowground. Initial residence times of these compounds in the soil solution are on the order of hours, with microbial uptake a primary removal mechanism. Through microbial biosynthesis, the dissolved compounds become dominant...

Effects of Fuel Composition on Combustion Stability and NO X Emissions for Traditional and Alternative Jet Fuels

NASA Astrophysics Data System (ADS)

Vijlee, Shazib Z.

Synthetic jet fuels are studied to help understand their viability as alternatives to traditionally derived jet fuel. Two combustion parameters -- flame stability and NOX emissions -- are used to compare these fuels through experiments and models. At its core, this is a fuels study comparing how chemical makeup and behavior relate. Six 'real', complex fuels are studied in this work -- four are synthetic from alternative sources and two are traditional from petroleum sources. Two of the synthetic fuels are derived from natural gas and coal via the Fischer Tropsch catalytic process. The other two are derived from Camelina oil and tallow via hydroprocessing. The traditional military jet fuel, JP8, is used as a baseline as it is derived from petroleum. The sixth fuel is derived from petroleum and is used to study the effects of aromatic content on the synthetic fuels. The synthetic fuels lack aromatic compounds, which are an important class of hydrocarbons necessary for fuel handling systems to function properly. Several single-component fuels are studied (through models and/or experiments) to facilitate interpretation and understanding. The flame stability study first compares all the 'real', complex fuels for blowout. A toroidal stirred reactor is used to try and isolate temperature and chemical effects. The modeling study of blowout in the toroidal reactor is the key to understanding any fuel-based differences in blowout behavior. A detailed, reacting CFD model of methane is used to understand how the reactor stabilizes the flame and how that changes as the reactor approaches blowout. A 22 species reduced form of GRI 3.0 is used to model methane chemistry. The knowledge of the radical species role is utilized to investigate the differences between a highly aliphatic fuel (surrogated by iso-octane) and a highly aromatic fuel (surrogated by toluene). A perfectly stirred reactor model is used to study the chemical kinetic pathways for these fuels near blowout. The differences in flame stabilization can be attributed to the rate at which these fuels are attacked and destroyed by radical species. The slow disintegration of the aromatic rings reduces the radical pool available for chain-initiating and chain-branching, which ultimately leads to an earlier blowout. The NOX study compares JP8, the aromatic additive, the synthetic fuels with and without an aromatic additive, and an aromatic surrogate (1,3,5-trimethylbenzene). A jet stirred reactor is used to try and isolate temperature and chemical effects. The reactor has a volume of 15.8 mL and a residence time of approximately 2.5 ms. The fuel flow rate (hence equivalence ratio) is adjusted to achieve nominally consistent temperatures of 1800, 1850, and 1900K. Small oscillations in fuel flow rate cause the data to appear in bands, which facilitated Arrhenius-type NOX-temperature correlations for direct comparison between fuels. The fuel comparisons are somewhat inconsistent, especially when the aromatic fuel is blended into the synthetic fuels. In general, the aromatic surrogate (1,3,5-trimethylbenzene) produces the most NOX, followed by JP8. The synthetic fuels (without aromatic additive) are always in the same ranking order for NOX production (HP Camelina > FT Coal > FT Natural Gas > HP Tallow). The aromatic additive ranks differently based on the temperature, which appears to indicate that some of the differences in NOX formation are due to the Zeldovich NOX formation pathway. The aromatic additive increases NOX for the HP Tallow and decreases NOX for the FT Coal. The aromatic additive causes increased NOX at low temperatures but decreases NOX at high temperatures for the HP Camelina and FT Natural Gas. A single perfectly stirred reactor model is used with several chemical kinetic mechanisms to study the effects of fuel (and fuel class) on NO X formation. The 27 unique NOX formation reactions from GRI 3.0 are added to published mechanisms for jet fuel surrogates. The investigation first looked at iso-octane and toluene and found that toluene produces more NOX because of a larger pool of O radical. The O radical concentration was lower for iso-octane because of an increased concentration of methyl (CH 3) radical that consumes O radical readily. Several surrogate fuels (iso-octane, toluene, propylcyclohexane, n-octane, and 1,3,5-trimethylbenzene) are modeled to look for differences in NOX production. The trend (increased CH3 → decreased O → decreased NOX) is consistently true for all surrogate fuels with multiple kinetic mechanisms. It appears that the manner in which the fuel disintegrates and creates methyl radical is an extremely important aspect of how much NOX a fuel will produce. (Abstract shortened by UMI.).

A fuel-limited isothermal DNA machine for the sensitive detection of cellular deoxyribonucleoside triphosphates.

PubMed

Dong, Jiantong; Wu, Tongbo; Xiao, Yu; Xu, Lei; Fang, Simin; Zhao, Meiping

2016-09-29

A fuel-limited isothermal DNA machine has been built for the sensitive fluorescence detection of cellular deoxyribonucleoside triphosphates (dNTPs) at the fmol level, which greatly reduces the required sample cell number. Upon the input of the limiting target dNTP, the machine runs automatically at 37 °C without the need for higher temperature.

Application of a statistical emulator to fire emission modeling

Treesearch

Marwan Katurji; Jovanka Nikolic; Shiyuan Zhong; Scott Pratt; Lejiang Yu; Warren E. Heilman

2015-01-01

We have demonstrated the use of an advanced Gaussian-Process (GP) emulator to estimate wildland fire emissions over a wide range of fuel and atmospheric conditions. The Fire Emission Production Simulator, or FEPS, is used to produce an initial set of emissions data that correspond to some selected values in the domain of the input fuel and atmospheric parameters for...

Computer technique for simulating the combustion of cellulose and other fuels

Treesearch

Andrew M. Stein; Brian W. Bauske

1971-01-01

A computer method has been developed for simulating the combustion of wood and other cellulosic fuels. The products of combustion are used as input for a convection model that slimulates real fires. The method allows the chemical process to proceed to equilibrium and then examines the effects of mass addition and repartitioning on the fluid mechanics of the convection...

Net energy output from harvesting small-diameter trees using a mechanized system

Treesearch

Fei Pan; Han-Sup Han; Leonard R. Johnson; William J. Elliot

2008-01-01

What amount of extra energy can be generated after subtracting the total energy consumed to produce the biomass energy? Knowing the ratio between energy output and input is a valid question when highly mechanized systems that consume fossil fuels are used to harvest and transport forest biomass for energy. We estimated the net energy generated from mechanical fuel...

Physical characteristics of shrub and conifer fuels for fire behavior models

Treesearch

Jonathan R. Gallacher; Thomas H. Fletcher; Victoria Lansinger; Sydney Hansen; Taylor Ellsworth; David R. Weise

2017-01-01

The physical properties and dimensions of foliage are necessary inputs for some fire spread models. Currently, almost no data exist on these plant characteristics to fill this need. In this report, we measured the physical properties and dimensions of the foliage from 10 live shrub and conifer fuels throughout a 1-year period. We developed models to predict relative...

Fuels planning: science synthesis and integration; environmental consequences fact sheet 10: The Understory Response Model

Treesearch

Steve Sutherland; Melanie Miller

2005-01-01

The Understory Response Model is a species-specific computer model that qualitatively predicts change in total species biomass for grasses, forbs, and shrubs after thinning, prescribed fire, or wildfire. The model examines the effect of fuels management on plant survivorship and reproduction. This fact sheet identifies the intended users and uses, required inputs, what...

Efficient Geometry and Data Handling for Large-Scale Monte Carlo - Thermal-Hydraulics Coupling

NASA Astrophysics Data System (ADS)

Hoogenboom, J. Eduard

2014-06-01

Detailed coupling of thermal-hydraulics calculations to Monte Carlo reactor criticality calculations requires each axial layer of each fuel pin to be defined separately in the input to the Monte Carlo code in order to assign to each volume the temperature according to the result of the TH calculation, and if the volume contains coolant, also the density of the coolant. This leads to huge input files for even small systems. In this paper a methodology for dynamical assignment of temperatures with respect to cross section data is demonstrated to overcome this problem. The method is implemented in MCNP5. The method is verified for an infinite lattice with 3x3 BWR-type fuel pins with fuel, cladding and moderator/coolant explicitly modeled. For each pin 60 axial zones are considered with different temperatures and coolant densities. The results of the axial power distribution per fuel pin are compared to a standard MCNP5 run in which all 9x60 cells for fuel, cladding and coolant are explicitly defined and their respective temperatures determined from the TH calculation. Full agreement is obtained. For large-scale application the method is demonstrated for an infinite lattice with 17x17 PWR-type fuel assemblies with 25 rods replaced by guide tubes. Again all geometrical detailed is retained. The method was used in a procedure for coupled Monte Carlo and thermal-hydraulics iterations. Using an optimised iteration technique, convergence was obtained in 11 iteration steps.

Model-independent plot of dynamic PET data facilitates data interpretation and model selection.

PubMed

Munk, Ole Lajord

2012-02-21

When testing new PET radiotracers or new applications of existing tracers, the blood-tissue exchange and the metabolism need to be examined. However, conventional plots of measured time-activity curves from dynamic PET do not reveal the inherent kinetic information. A novel model-independent volume-influx plot (vi-plot) was developed and validated. The new vi-plot shows the time course of the instantaneous distribution volume and the instantaneous influx rate. The vi-plot visualises physiological information that facilitates model selection and it reveals when a quasi-steady state is reached, which is a prerequisite for the use of the graphical analyses by Logan and Gjedde-Patlak. Both axes of the vi-plot have direct physiological interpretation, and the plot shows kinetic parameter in close agreement with estimates obtained by non-linear kinetic modelling. The vi-plot is equally useful for analyses of PET data based on a plasma input function or a reference region input function. The vi-plot is a model-independent and informative plot for data exploration that facilitates the selection of an appropriate method for data analysis. Copyright © 2011 Elsevier Ltd. All rights reserved.

Nanofluidic fuel cell

NASA Astrophysics Data System (ADS)

Lee, Jin Wook; Kjeang, Erik

2013-11-01

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

Development of molecular dynamics potential for uranium silicide fuels

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

Yu, Jianguo; Zhang, Yongfeng; Hales, Jason D.

2016-09-01

Use of uranium–silicide (U-Si) in place of uranium dioxide (UO2) is one of the promising concepts being proposed to increase the accident tolerance of nuclear fuels. This is due to a higher thermal conductivity than UO2 that results in lower centerline temperatures. U-Si also has a higher fissile density, which may enable some new cladding concepts that would otherwise require increased enrichment limits to compensate for their neutronic penalty. However, many critical material properties for U-Si have not been determined experimentally. For example, silicide compounds (U3Si2 and U3Si) are known to become amorphous under irradiation. There was clear independent experimentalmore » evidence to support a crystalline to amorphous transformation in those compounds. However, it is still not well understood how the amorphous transformation will affect on fuel behavior. It is anticipated that modeling and simulation may deliver guidance on the importance of various properties and help prioritize experimental work. In order to develop knowledge-based models for use at the engineering scale with a minimum of empirical parameters and increase the predictive capabilities of the developed model, inputs from atomistic simulations are essential. First-principles based density functional theory (DFT) calculations will provide the most reliable information. However, it is probably not possible to obtain kinetic information such as amorphization under irradiation directly from DFT simulations due to size and time limitations. Thus, a more feasible way may be to employ molecular dynamics (MD) simulation. Unfortunately, so far no MD potential is available for U-Si to discover the underlying mechanisms. Here, we will present our recent progress in developing a U-Si potential from ab initio data. This work is supported by the Nuclear Energy Advanced Modeling and Simulation (NEAMS) program funded by the U.S. Department of Energy, Office of Nuclear Energy.« less

Retooling Predictive Relations for non-volatile PM by Comparison to Measurements

NASA Astrophysics Data System (ADS)

Vander Wal, R. L.; Abrahamson, J. P.

2015-12-01

Non-volatile particulate matter (nvPM) emissions from jet aircraft at cruise altitude are of particular interest for climate and atmospheric processes but are difficult to measure and are normally approximated. To provide such inventory estimates the present approach is to use measured, ground-based values with scaling to cruise (engine operating) conditions. Several points are raised by this approach. First is what ground based values to use. Empirical and semi-empirical approaches, such as the revised first order approximation (FOA3) and formation-oxidation (FOX) methods, each with embedded assumptions are available to calculate a ground-based black carbon concentration, CBC. Second is the scaling relation that can depend upon the ratios of fuel-air equivalence, pressure, and combustor flame temperature. We are using measured ground-based values to evaluate the accuracy of present methods towards developing alternative methods for CBCby smoke number or via a semi-empirical kinetic method for the specific engine, CFM56-2C, representative of a rich-dome style combustor, and as one of the most prevalent engine families in commercial use. Applying scaling relations to measured ground based values and comparison to measurements at cruise evaluates the accuracy of current scaling formalism. In partnership with GE Aviation, performing engine cycle deck calculations enables critical comparison between estimated or predicted thermodynamic parameters and true (engine) operational values for the CFM56-2C engine. Such specific comparisons allow tracing differences between predictive estimates for, and measurements of nvPM to their origin - as either divergence of input parameters or in the functional form of the predictive relations. Such insights will lead to development of new predictive tools for jet aircraft nvPM emissions. Such validated relations can then be extended to alternative fuels with confidence in operational thermodynamic values and functional form. Comparisons will then be made between these new predictive relationships and measurements of nvPM from alternative fuels using ground and cruise data - as collected during NASA-led AAFEX and ACCESS field campaigns, respectively.

Development of molecular dynamics potential for uranium silicide fuels

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

Yu, Jianguo; Zhang, Yongfeng; Hales, Jason D.

Use of uranium–silicide (U-Si) in place of uranium dioxide (UO2) is one of the promising concepts being proposed to increase the accident tolerance of nuclear fuels. This is due to a higher thermal conductivity than UO2 that results in lower centerline temperatures. U-Si also has a higher fissile density, which may enable some new cladding concepts that would otherwise require increased enrichment limits to compensate for their neutronic penalty. However, many critical material properties for U-Si have not been determined experimentally. For example, silicide compounds (U3Si2 and U3Si) are known to become amorphous under irradiation. There was clear independent experimentalmore » evidence to support a crystalline to amorphous transformation in those compounds. However, it is still not well understood how the amorphous transformation will affect on fuel behavior. It is anticipated that modeling and simulation may deliver guidance on the importance of various properties and help prioritize experimental work. In order to develop knowledge-based models for use at the engineering scale with a minimum of empirical parameters and increase the predictive capabilities of the developed model, inputs from atomistic simulations are essential. First-principles based density functional theory (DFT) calculations will provide the most reliable information. However, it is probably not possible to obtain kinetic information such as amorphization under irradiation directly from DFT simulations due to size and time limitations. Thus, a more feasible way may be to employ molecular dynamics (MD) simulation. Unfortunately, so far no MD potential is available for U-Si to discover the underlying mechanisms. Here, we will present our recent progress in developing a U-Si potential from ab initio data. This work is supported by the Nuclear Energy Advanced Modeling and Simulation (NEAMS) program funded by the U.S. Department of Energy, Office of Nuclear Energy.« less