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Sample records for biomass-derived fuel simulated

  1. Hot Corrosion of Nickel-Base Alloys in Biomass-Derived Fuel Simulated Atmosphere

    Energy Technology Data Exchange (ETDEWEB)

    Leyens, C.; Pint, B.A.; Wright, I.G.

    1999-02-28

    Biomass fuels are considered to be a promising renewable source of energy. However, impurities present in the fuel may cause corrosion problems with the materials used in the hot sections of gas turbines and only limited data are available so far. As part of the Advanced Turbine Systems Program initiated by the U.S. Department of Energy, the present study provides initial data on the hot corrosion resistance of different nickel-base alloys against sodium sulfate-induced corrosion as a baseline, and against salt compositions simulating biomass-derived fuel deposits. Single crystal nickel-superalloy Rene N5, a cast NiCrAlY alloy, a NiCoCrAlY alloy representing industrially used overlay compositions, and a model {beta}NiAl+Hf alloy were tested in 1h thermal cycles at 950 C with different salt coatings deposited onto the surfaces. Whereas the NiCoCrAlY alloy exhibited reasonable resistance against pure sodium sulfate deposits, the NiCrAiY alloy and Rene N5 were attacked severely. Although considered to be an ideal alumina former in air and oxygen at higher temperatures, {beta}NiAl+Hf also suffered from rapid corrosion attack at 950 C when coated with sodium sulfate. The higher level of potassium present in biomass fuels compared with conventional fuels was addressed by testing a NiCoCrAlY alloy coated with salts of different K/Na atomic ratios. Starting at zero Na, the corrosion rate increased considerably when sodium was added to potassium sulfate. In an intermediate region the corrosion rate was initially insensitive to the K/Na ratio but accelerated when very Na-rich compositions were deposited. The key driver for corrosion of the NiCoCrAlY alloy was sodium sulfate rather than potassium sulfate, and no simple additive or synergistic effect of combining sodium and potassium was found.

  2. Fuel and fuel blending components from biomass derived pyrolysis oil

    Science.gov (United States)

    McCall, Michael J.; Brandvold, Timothy A.; Elliott, Douglas C.

    2012-12-11

    A process for the conversion of biomass derived pyrolysis oil to liquid fuel components is presented. The process includes the production of diesel, aviation, and naphtha boiling point range fuels or fuel blending components by two-stage deoxygenation of the pyrolysis oil and separation of the products.

  3. Production of distillate fuels from biomass-derived polyoxygenates

    Energy Technology Data Exchange (ETDEWEB)

    Kania, John; Blommel, Paul; Woods, Elizabeth; Dally, Brice; Lyman, Warren; Cortright, Randy

    2017-03-14

    The present invention provides methods, reactor systems and catalysts for converting biomass and biomass-derived feedstocks to C.sub.8+ hydrocarbons using heterogenous catalysts. The product stream may be separated and further processed for use in chemical applications, or as a neat fuel or a blending component in jet fuel and diesel fuel, or as heavy oils for lubricant and/or fuel oil applications.

  4. Production of distillate fuels from biomass-derived polyoxygenates

    Science.gov (United States)

    Kania, John; Blommel, Paul; Woods, Elizabeth; Dally, Brice; Lyman, Warren; Cortright, Randy

    2017-03-14

    The present invention provides methods, reactor systems and catalysts for converting biomass and biomass-derived feedstocks to C.sub.8+ hydrocarbons using heterogenous catalysts. The product stream may be separated and further processed for use in chemical applications, or as a neat fuel or a blending component in jet fuel and diesel fuel, or as heavy oils for lubricant and/or fuel oil applications.

  5. Integrated process for the catalytic conversion of biomass-derived syngas into transportation fuels

    Energy Technology Data Exchange (ETDEWEB)

    Dagle, Vanessa Lebarbier; Smith, Colin; Flake, Matthew; Albrecht, Karl O.; Gray, Michel J.; Ramasamy, Karthikeyan K.; Dagle, Robert A.

    2016-01-01

    Efficient synthesis of renewable fuels that will enable cost competitiveness with petroleum-derived fuels remains a grand challenge for U.S. scientists. In this paper, we report on an integrated catalytic approach for producing transportation fuels from biomass-derived syngas. The composition of the resulting hydrocarbon fuel can be modulated to meet specified requirements. Biomass-derived syngas is first converted over an Rh-based catalyst into a complex aqueous mixture of condensable C2+ oxygenated compounds (predominantly ethanol, acetic acid, acetaldehyde, ethyl acetate). This multi-component aqueous mixture then is fed to a second reactor loaded with a ZnxZryOz mixed oxide catalyst, which has tailored acid-base sites, to produce an olefin mixture rich in isobutene. The olefins then are oligomerized using a solid acid catalyst (e.g., Amberlyst-36) to form condensable olefins with molecular weights that can be targeted for gasoline, jet, and/or diesel fuel applications. The product rich in long-chain olefins (C7+) is finally sent to a fourth reactor that is needed for hydrogenation of the olefins into paraffin fuels. Simulated distillation of the hydrotreated oligomerized liquid product indicates that ~75% of the hydrocarbons present are in the jet-fuel range. Process optimization for the oligomerization step could further improve yield to the jet-fuel range. All of these catalytic steps have been demonstrated in sequence, thus providing proof-of-concept for a new integrated process for the production of drop-in biofuels. This unique and flexible process does not require external hydrogen and also could be applied to non-syngas derived feedstock, such as fermentation products (e.g., ethanol, acetic acid, etc.), other oxygenates, and mixtures thereof containing alcohols, acids, aldehydes and/or esters.

  6. Pressurised combustion of biomass-derived, low calorific value, fuel gas

    Energy Technology Data Exchange (ETDEWEB)

    Andries, J.; Hoppesteyn, P.D.J.; Hein, K.R.G. [Lab. for Thermal Power Engineering, Dept. of Mechanical Engineering and Marine Technology, Delft Univ. of Technology (Netherlands)

    1996-12-31

    The Laboratory for Thermal Power Engineering of the Delft University of Technology is participating in an EU-funded, international R + D project which is designed to aid European industry in addressing issues regarding pressurised combustion of biomass-derived, low calorific flue fuel gas. The objects of the project are: To design, manufacture and test a pressurised, high temperature gas turbine combustor for biomass derived LCV fuel gas; to develop a steady-state and dynamic model describing a combustor using biomass-derived, low calorific value fuel gases; to gather reliable experimental data on the steady-state and dynamic characteristics of the combustor; to study the steady-state and dynamic plant behaviour using a plant layout wich incorporates a model of a gas turbine suitable for operation on low calorific value fuel gas. (orig)

  7. Catalytic conversion of biomass-derived synthesis gas to liquid fuels

    OpenAIRE

    2016-01-01

    Climate change is one of the biggest global threats of the 21st century. Fossil fuels constitute by far the most important energy source for transportation and the different governments are starting to take action to promote the use of cleaner fuels. Biomass-derived fuels are a promising alternative for diversifying fuel sources, reducing fossil fuel dependency and abating greenhouse gas emissions. The research interest has quickly shifted from first-generation biofuels, obtained from food co...

  8. Processes for converting biomass-derived feedstocks to chemicals and liquid fuels

    Energy Technology Data Exchange (ETDEWEB)

    Held, Andrew; Woods, Elizabeth; Cortright, Randy; Gray, Matthew

    2016-07-05

    The present invention provides processes, methods, and systems for converting biomass-derived feedstocks to liquid fuels and chemicals. The method generally includes the reaction of a hydrolysate from a biomass deconstruction process with hydrogen and a catalyst to produce a reaction product comprising one of more oxygenated compounds. The process also includes reacting the reaction product with a condensation catalyst to produce C.sub.4+ compounds useful as fuels and chemicals.

  9. Processes for converting biomass-derived feedstocks to chemicals and liquid fuels

    Science.gov (United States)

    Held, Andrew; Woods, Elizabeth; Cortright, Randy; Gray, Matthew

    2016-07-05

    The present invention provides processes, methods, and systems for converting biomass-derived feedstocks to liquid fuels and chemicals. The method generally includes the reaction of a hydrolysate from a biomass deconstruction process with hydrogen and a catalyst to produce a reaction product comprising one of more oxygenated compounds. The process also includes reacting the reaction product with a condensation catalyst to produce C.sub.4+ compounds useful as fuels and chemicals.

  10. Processes for converting biomass-derived feedstocks to chemicals and liquid fuels

    Science.gov (United States)

    Held, Andrew; Woods, Elizabeth; Cortright, Randy; Gray, Matthew

    2017-05-23

    The present invention provides processes, methods, and systems for converting biomass-derived feedstocks to liquid fuels and chemicals. The method generally includes the reaction of a hydrolysate from a biomass deconstruction process with hydrogen and a catalyst to produce a reaction product comprising one of more oxygenated compounds. The process also includes reacting the reaction product with a condensation catalyst to produce C.sub.4+ compounds useful as fuels and chemicals.

  11. Continuous-Flow Processes in Heterogeneously Catalyzed Transformations of Biomass Derivatives into Fuels and Chemicals

    Directory of Open Access Journals (Sweden)

    Antonio A. Romero

    2012-07-01

    Full Text Available Continuous flow chemical processes offer several advantages as compared to batch chemistries. These are particularly relevant in the case of heterogeneously catalyzed transformations of biomass-derived platform molecules into valuable chemicals and fuels. This work is aimed to provide an overview of key continuous flow processes developed to date dealing with a series of transformations of platform chemicals including alcohols, furanics, organic acids and polyols using a wide range of heterogeneous catalysts based on supported metals, solid acids and bifunctional (metal + acidic materials.

  12. Biomass-derived Syngas Utilization for Fuels and Chemicals - Final Report

    Energy Technology Data Exchange (ETDEWEB)

    Dayton, David C

    2010-03-24

    Executive Summary The growing gap between petroleum production and demand, mounting environmental concerns, and increasing fuel prices have stimulated intense interest in research and development (R&D) of alternative fuels, both synthetic and bio-derived. Currently, the most technically defined thermochemical route for producing alternative fuels from lignocellulosic biomass involves gasification/reforming of biomass to produce syngas (carbon monoxide [CO] + hydrogen [H2]), followed by syngas cleaning, Fischer-Tropsch synthesis (FTS) or mixed alcohol synthesis, and some product upgrading via hydroprocessing or separation. A detailed techno-economic analysis of this type of process has recently been published [1] and it highlights the need for technical breakthroughs and technology demonstration for gas cleanup and fuel synthesis. The latter two technical barrier areas contribute 40% of the total thermochemical ethanol cost and 70% of the production cost, if feedstock costs are factored out. Developing and validating technologies that reduce the capital and operating costs of these unit operations will greatly reduce the risk for commercializing integrated biomass gasification/fuel synthesis processes for biofuel production. The objective of this project is to develop and demonstrate new catalysts and catalytic processes that can efficiently convert biomass-derived syngas into diesel fuel and C2-C4 alcohols. The goal is to improve the economics of the processes by improving the catalytic activity and product selectivity, which could lead to commercialization. The project was divided into 4 tasks: Task 1: Reactor Systems: Construction of three reactor systems was a project milestone. Construction of a fixed-bed microreactor (FBR), a continuous stirred tank reactor (CSTR), and a slurry bubble column reactor (SBCR) were completed to meet this milestone. Task 2: Iron Fischer-Tropsch (FT) Catalyst: An attrition resistant iron FT catalyst will be developed and tested

  13. Electrocatalytic processing of renewable biomass-derived compounds for production of chemicals, fuels and electricity

    Science.gov (United States)

    Xin, Le

    The dual problems of sustaining the fast growth of human society and preserving the environment for future generations urge us to shift our focus from exploiting fossil oils to researching and developing more affordable, reliable and clean energy sources. Human beings had a long history that depended on meeting our energy demands with plant biomass, and the modern biorefinery technologies realize the effective conversion of biomass to production of transportation fuels, bulk and fine chemicals so to alleviate our reliance on fossil fuel resources of declining supply. With the aim of replacing as much non-renewable carbon from fossil oils with renewable carbon from biomass as possible, innovative R&D activities must strive to enhance the current biorefinery process and secure our energy future. Much of my Ph.D. research effort is centered on the study of electrocatalytic conversion of biomass-derived compounds to produce value-added chemicals, biofuels and electrical energy on model electrocatalysts in AEM/PEM-based continuous flow electrolysis cell and fuel cell reactors. High electricity generation performance was obtained when glycerol or crude glycerol was employed as fuels in AEMFCs. The study on selective electrocatalytic oxidation of glycerol shows an electrode potential-regulated product distribution where tartronate and mesoxalate can be selectively produced with electrode potential switch. This finding then led to the development of AEMFCs with selective production of valuable tartronate or mesoxalate with high selectivity and yield and cogeneration of electricity. Reaction mechanisms of electrocatalytic oxidation of ethylene glycol and 1,2-propanediol were further elucidated by means of an on-line sample collection technique and DFT modeling. Besides electro-oxidation of biorenewable alcohols to chemicals and electricity, electrocatalytic reduction of keto acids (e.g. levulinic acid) was also studied for upgrading biomass-based feedstock to biofuels while

  14. Impact study on the use of biomass-derived fuels in gas turbines for power generation

    Energy Technology Data Exchange (ETDEWEB)

    Moses, C A; Bernstein, H [Southwest Research Inst., San Antonio, TX (United States)

    1994-01-01

    This report evaluates the properties of fuels derived from biomass, both gaseous and liquid, against the fuel requirements of gas turbine systems for gernating electrical power. The report attempts to be quantitative rather than merely qualitative to establish the significant variations in the properties of biomass fuels from those of conventional fuels. Three general categories are covered: performance, durability, and storage and handling.

  15. One-step catalytic conversion of biomass-derived carbohydrates to liquid fuels

    Science.gov (United States)

    Sen, Ayusman; Yang, Weiran

    2014-03-18

    The invention relates to a method for manufacture of hydrocarbon fuels and oxygenated hydrocarbon fuels such as alkyl substituted tetrahydrofurans such as 2,5-dimethyltetrahydrofuran, 2-methyltetrahydrofuran, 5-methylfurfural and mixtures thereof. The method generally entails forming a mixture of reactants that includes carbonaceous material, water, a metal catalyst and an acid reacting that mixture in the presence of hydrogen. The reaction is performed at a temperature and for a time sufficient to produce a furan type hydrocarbon fuel. The process may be adapted to provide continuous manufacture of hydrocarbon fuels such as a furan type fuel.

  16. Annex 34 : task 1 : analysis of biodiesel options : biomass-derived diesel fuels : final report

    Energy Technology Data Exchange (ETDEWEB)

    McGill, R. [Oak Ridge National Laboratory, TN (United States); Aakko-Saksa, P.; Nylund, N.O. [TransEnergy Consulting Ltd., Helsinki (Finland)

    2009-06-15

    Biofuels are derived from woody biomass, non-woody biomass, and organic wastes. The properties of vegetable oil feedstocks can have profound effects on the properties of the finished biodiesel product. However, all biodiesel fuels have beneficial effects on engine emissions. This report discussed the use of biodiesel fuels as replacements for part of the diesel fuel consumed throughout the world. Biodiesel fuels currently being produced from fatty acid esters today were reviewed, as well as some of the more advanced diesel replacement fuels. The report was produced as part of the International Energy Agency (IEA) Advanced Motor Fuels (AMF) Implementing Agreement Annex 34, and was divided into 14 sections: (1) an introduction, (2) biodiesel and biomass, (3) an explanation of biodiesel, (4) properties of finished biodiesel fuels, (5) exhaust emissions of finished biodiesel fuels and blends, (6) life-cycle emissions and energy, (7) international biodiesel (FAME) technical standards and specifications, (8) growth in production and use of biodiesel fuels, (9) biofuel refineries, (10) process technology, (11) development and status of biorefineries, (12) comparison of options to produce biobased diesel fuels, (13) barriers and gaps in knowledge, and (14) references. 113 refs., 37 tabs., 74 figs.

  17. Highly selective condensation of biomass-derived methyl ketones as a source of aviation fuel.

    Science.gov (United States)

    Sacia, Eric R; Balakrishnan, Madhesan; Deaner, Matthew H; Goulas, Konstantinos A; Toste, F Dean; Bell, Alexis T

    2015-05-22

    Aviation fuel (i.e., jet fuel) requires a mixture of C9 -C16 hydrocarbons having both a high energy density and a low freezing point. While jet fuel is currently produced from petroleum, increasing concern with the release of CO2 into the atmosphere from the combustion of petroleum-based fuels has led to policy changes mandating the inclusion of biomass-based fuels into the fuel pool. Here we report a novel way to produce a mixture of branched cyclohexane derivatives in very high yield (>94 %) that match or exceed many required properties of jet fuel. As starting materials, we use a mixture of n-alkyl methyl ketones and their derivatives obtained from biomass. These synthons are condensed into trimers via base-catalyzed aldol condensation and Michael addition. Hydrodeoxygenation of these products yields mixtures of C12 -C21 branched, cyclic alkanes. Using models for predicting the carbon number distribution obtained from a mixture of n-alkyl methyl ketones and for predicting the boiling point distribution of the final mixture of cyclic alkanes, we show that it is possible to define the mixture of synthons that will closely reproduce the distillation curve of traditional jet fuel.

  18. Low Emissions Burner Technology for Metal Processing Industry using Byproducts and Biomass Derived Liquid Fuels

    Energy Technology Data Exchange (ETDEWEB)

    Agrawal, Ajay; Taylor, Robert

    2013-09-30

    This research and development efforts produced low-emission burner technology capable of operating on natural gas as well as crude glycerin and/or fatty acids generated in biodiesel plants. The research was conducted in three stages (1) Concept definition leading to the design and development of a small laboratory scale burner, (2) Scale-up to prototype burner design and development, and (3) Technology demonstration with field vefiication. The burner design relies upon the Flow Blurring (FB) fuel injection based on aerodynamically creating two-phase flow near the injector exit. The fuel tube and discharge orifice both of inside diameter D are separated by gap H. For H < 0.25D, the atomizing air bubbles into liquid fuel to create a two-phase flow near the tip of the fuel tube. Pressurized two-phase fuel-air mixture exits through the discharge orifice, which results in expansion and breakup of air bubbles yielding a spray with fine droplets. First, low-emission combustion of diesel, biodiesel and straight VO (soybean oil) was achieved by utilizing FB injector to yield fine sprays for these fuels with significantly different physical properties. Visual images for these baseline experiments conducted with heat release rate (HRR) of about 8 kW illustrate clean blue flames indicating premixed combustion for all three fuels. Radial profiles of the product gas temperature at the combustor exit overlap each other signifying that the combustion efficiency is independent of the fuel. At the combustor exit, the NOx emissions are within the measurement uncertainties, while CO emissions are slightly higher for straight VO as compared to diesel and biodiesel. Considering the large variations in physical and chemical properties of fuels considered, the small differences observed in CO and NOx emissions show promise for fuel-flexible, clean combustion systems. FB injector has proven to be very effective in atomizing fuels with very different physical properties, and it offers a

  19. Production of dimethylfuran for liquid fuels from biomass-derived carbohydrates.

    Science.gov (United States)

    Román-Leshkov, Yuriy; Barrett, Christopher J; Liu, Zhen Y; Dumesic, James A

    2007-06-21

    Diminishing fossil fuel reserves and growing concerns about global warming indicate that sustainable sources of energy are needed in the near future. For fuels to be useful in the transportation sector, they must have specific physical properties that allow for efficient distribution, storage and combustion; these properties are currently fulfilled by non-renewable petroleum-derived liquid fuels. Ethanol, the only renewable liquid fuel currently produced in large quantities, suffers from several limitations, including low energy density, high volatility, and contamination by the absorption of water from the atmosphere. Here we present a catalytic strategy for the production of 2,5-dimethylfuran from fructose (a carbohydrate obtained directly from biomass or by the isomerization of glucose) for use as a liquid transportation fuel. Compared to ethanol, 2,5-dimethylfuran has a higher energy density (by 40 per cent), a higher boiling point (by 20 K), and is not soluble in water. This catalytic strategy creates a route for transforming abundant renewable biomass resources into a liquid fuel suitable for the transportation sector, and may diminish our reliance on petroleum.

  20. Robust synthesis of green fuels from biomass-derived ethyl esters over a hierarchically core/shell-structured ZSM-5@(Co/SiO2) catalyst.

    Science.gov (United States)

    Wang, Darui; Wang, Bo; Ding, Yu; Yuan, Qingqing; Wu, Haihong; Guan, Yejun; Wu, Peng

    2017-09-12

    A novel bifunctional ZSM-5@(Co/SiO2) material with a hierarchical core/shell structure was successfully prepared through a simple chemoselective interaction between the crystal surface silica species of zeolite and the external Co(2+) source in basic media, which served as an excellent catalyst in the synthesis of green fuels from biomass-derived ethyl esters.

  1. Biomass-derived Lignin to Jet Fuel Range Hydrocarbons via Aqueous Phase Hydrodeoxygenation

    Energy Technology Data Exchange (ETDEWEB)

    Wang, Hongliang; Ruan, Hao; Pei, Haisheng; Wang, Huamin; Chen, Xiaowen; Tucker, Melvin P.; Cort, John R.; Yang, Bin

    2015-09-14

    A catalytic process, involving the hydrodeoxygenation (HDO) of the dilute alkali extracted corn stover lignin catalysed by noble metal catalyst (Ru/Al2O3) and acidic zeolite (H+-Y), to produce lignin-substructure-based hydrocarbons (C7-C18), primarily C12-C18 cyclic structure hydrocarbons in the jet fuel range, was demonstrated.

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

    Science.gov (United States)

    Barrett, Christopher J.

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

  3. Combustion of biomass-derived, low caloric value, fuel gas in a gasturbine combustor

    Energy Technology Data Exchange (ETDEWEB)

    Andries, J.; Hoppesteyn, P.D.J.; Hein, K.R.G. [Technische Univ. Delf (Netherlands)

    1998-09-01

    The use of biomass and biomass/coal mixtures to produce electricity and heat reduces the net emissions of CO{sub 2}, contributes to the restructuring of the agricultural sector, helps to reduce the waste problem and saves finite fossil fuel reserves. Pressurised fluidised bed gasification followed by an adequate gas cleaning system, a gas turbine and a steam turbine, is a potential attractive way to convert biomass and biomass/coal mixtures. To develop and validate mathematical models, which can be used to design and operate Biomass-fired Integrated Gasification Combined Cycle (BIGCC) systems, a Process Development Unit (PPDU) with a maximum thermal capacity of 1.5 MW{sub th}, located at the Laboratory for Thermal Power Engineering of the Delft University of Technology in The Netherlands is being used. The combustor forms an integral part of this facility. Recirculated flue gas is used to cool the wall of the combustor. (orig.)

  4. Comparative techno-economic analysis and process design for indirect liquefaction pathways to distillate-range fuels via biomass-derived oxygenated intermediates upgrading: Liquid Transportation Fuel Production via Biomass-derived Oxygenated Intermediates Upgrading

    Energy Technology Data Exchange (ETDEWEB)

    Tan, Eric C. D. [National Renewable Energy Laboratory, Golden CO USA; Snowden-Swan, Lesley J. [Pacific Northwest National Laboratory, Richland WA USA; Talmadge, Michael [National Renewable Energy Laboratory, Golden CO USA; Dutta, Abhijit [National Renewable Energy Laboratory, Golden CO USA; Jones, Susanne [Pacific Northwest National Laboratory, Richland WA USA; Ramasamy, Karthikeyan K. [Pacific Northwest National Laboratory, Richland WA USA; Gray, Michel [Pacific Northwest National Laboratory, Richland WA USA; Dagle, Robert [Pacific Northwest National Laboratory, Richland WA USA; Padmaperuma, Asanga [Pacific Northwest National Laboratory, Richland WA USA; Gerber, Mark [Pacific Northwest National Laboratory, Richland WA USA; Sahir, Asad H. [National Renewable Energy Laboratory, Golden CO USA; Tao, Ling [National Renewable Energy Laboratory, Golden CO USA; Zhang, Yanan [National Renewable Energy Laboratory, Golden CO USA

    2016-09-27

    This paper presents a comparative techno-economic analysis (TEA) of five conversion pathways from biomass to gasoline-, jet-, and diesel-range hydrocarbons via indirect liquefaction with a specific focus on pathways utilizing oxygenated intermediates. The four emerging pathways of interest are compared with one conventional pathway (Fischer-Tropsch) for the production of the hydrocarbon blendstocks. The processing steps of the four emerging pathways include biomass-to-syngas via indirect gasification, syngas clean-up, conversion of syngas to alcohols/oxygenates followed by conversion of alcohols/oxygenates to hydrocarbon blendstocks via dehydration, oligomerization, and hydrogenation. Conversion of biomass-derived syngas to oxygenated intermediates occurs via three different pathways, producing: (i) mixed alcohols over a MoS2 catalyst, (ii) mixed oxygenates (a mixture of C2+ oxygenated compounds, predominantly ethanol, acetic acid, acetaldehyde, ethyl acetate) using an Rh-based catalyst, and (iii) ethanol from syngas fermentation. This is followed by the conversion of oxygenates/alcohols to fuel-range olefins in two approaches: (i) mixed alcohols/ethanol to 1-butanol rich mixture via Guerbet reaction, followed by alcohol dehydration, oligomerization, and hydrogenation, and (ii) mixed oxygenates/ethanol to isobutene rich mixture and followed by oligomerization and hydrogenation. The design features a processing capacity of 2000 tonnes/day (2205 short tons) of dry biomass. The minimum fuel selling prices (MFSPs) for the four developing pathways range from $3.40 to $5.04 per gasoline-gallon equivalent (GGE), in 2011 US dollars. Sensitivity studies show that MFSPs can be improved with co-product credits and are comparable to the commercial Fischer-Tropsch benchmark ($3.58/GGE). Overall, this comparative TEA study documents potential economics for the developmental biofuel pathways via mixed oxygenates.

  5. Comparative techno-economic analysis and process design for indirect liquefaction pathways to distillate-range fuels via biomass-derived oxygenated intermediates upgrading: Liquid Transportation Fuel Production via Biomass-derived Oxygenated Intermediates Upgrading

    Energy Technology Data Exchange (ETDEWEB)

    Tan, Eric C. D. [National Renewable Energy Laboratory, Golden CO USA; Snowden-Swan, Lesley J. [Pacific Northwest National Laboratory, Richland WA USA; Talmadge, Michael [National Renewable Energy Laboratory, Golden CO USA; Dutta, Abhijit [National Renewable Energy Laboratory, Golden CO USA; Jones, Susanne [Pacific Northwest National Laboratory, Richland WA USA; Ramasamy, Karthikeyan K. [Pacific Northwest National Laboratory, Richland WA USA; Gray, Michel [Pacific Northwest National Laboratory, Richland WA USA; Dagle, Robert [Pacific Northwest National Laboratory, Richland WA USA; Padmaperuma, Asanga [Pacific Northwest National Laboratory, Richland WA USA; Gerber, Mark [Pacific Northwest National Laboratory, Richland WA USA; Sahir, Asad H. [National Renewable Energy Laboratory, Golden CO USA; Tao, Ling [National Renewable Energy Laboratory, Golden CO USA; Zhang, Yanan [National Renewable Energy Laboratory, Golden CO USA

    2016-09-27

    This paper presents a comparative techno-economic analysis (TEA) of five conversion pathways from biomass to gasoline-, jet-, and diesel-range hydrocarbons via indirect liquefaction with specific focus on pathways utilizing oxygenated intermediates. The four emerging pathways of interest are compared with one conventional pathway (Fischer-Tropsch) for the production of the hydrocarbon blendstocks. The processing steps of the four emerging pathways include: biomass to syngas via indirect gasification, gas cleanup, conversion of syngas to alcohols/oxygenates followed by conversion of alcohols/oxygenates to hydrocarbon blendstocks via dehydration, oligomerization, and hydrogenation. Conversion of biomass-derived syngas to oxygenated intermediates occurs via three different pathways, producing: 1) mixed alcohols over a MoS2 catalyst, 2) mixed oxygenates (a mixture of C2+ oxygenated compounds, predominantly ethanol, acetic acid, acetaldehyde, ethyl acetate) using an Rh-based catalyst, and 3) ethanol from syngas fermentation. This is followed by the conversion of oxygenates/alcohols to fuel-range olefins in two approaches: 1) mixed alcohols/ethanol to 1-butanol rich mixture via Guerbet reaction, followed by alcohol dehydration, oligomerization, and hydrogenation, and 2) mixed oxygenates/ethanol to isobutene rich mixture and followed by oligomerization and hydrogenation. The design features a processing capacity of 2,000 tonnes/day (2,205 short tons) of dry biomass. The minimum fuel selling prices (MFSPs) for the four developing pathways range from $3.40 to $5.04 per gasoline-gallon equivalent (GGE), in 2011 US dollars. Sensitivity studies show that MFSPs can be improved with co-product credits and are comparable to the commercial Fischer-Tropsch benchmark ($3.58/GGE). Overall, this comparative TEA study documents potential economics for the developmental biofuel pathways via mixed oxygenates.

  6. Biomass-derived heteroatoms-doped mesoporous carbon for efficient oxygen reduction in microbial fuel cells.

    Science.gov (United States)

    Lu, Yu; Zhu, Nengwu; Yin, Fuhua; Yang, Tingting; Wu, Pingxiao; Dang, Zhi; Liu, Meilin; Wei, Xiaorong

    2017-12-15

    Currently, the development of less expensive, more active and more stable catalysts like heteroatom-doped carbon based non-precious metal materials are highly desired for the cathodic oxygen reduction reaction (ORR) in microbial fuel cells (MFCs). Comparing with heteroatom sources from chemical reagents, biomass is notably inexpensive and abundant, containing more elements which contribute to ORR activity. Herein, we demonstrate an easy operating one-step and low-cost way to synthesize egg-derived heteroatoms-doped mesoporous carbon (EGC) catalysts utilizing egg as the biomass carbon and other elements source (sulphur, phosphorus, boron and iron), and porous g-C3N4 as both template and nitrogen source. After carbonized, such hybrid materials possess an outstanding electrocatalytic activity towards ORR comparable to the commercial Pt/C catalyst in neutral media. Electrochemical detections as cyclic voltammogram and rotating ring-disk electrode tests show that the potential of oxygen reduction peak of EGC1-10-2 is at + 0.10V, onset potential is at + 0.257V (vs. Ag/AgCl) and electron transfer number of that is 3.84-3.92, which indicate that EGC1-10-2 via a four-electron pathway. Reactor operation shows that the maximum power density of MFC-EGC1-10-2 (737.1mWm(-2)), which is slightly higher than MFC-Pt/C (20%) (704mWm(-2)). The low cost (0.049 $g(-1)), high yield (20.26%) and high performance of EGC1-10-2 provide a promising alternative to noble metal catalysts by using abundant natural biological resources, which contribute a lot to expansion and commercialization of MFCs. Copyright © 2017 Elsevier B.V. All rights reserved.

  7. Reforming Biomass Derived Pyrolysis Bio-oil Aqueous Phase to Fuels

    Energy Technology Data Exchange (ETDEWEB)

    Mukarakate, Calvin; Evans, Robert J.; Deutch, Steve; Evans, Tabitha; Starace, Anne K.; ten Dam, Jeroen; Watson, Michael J.; Magrini, Kim

    2017-01-07

    Fast pyrolysis and catalytic fast pyrolysis (CFP) of biomass produce a liquid product stream comprised of various classes of organic compounds having different molecule size and polarity. This liquid, either spontaneously in the case of catalytic fast pyrolysis or by water addition for the non-catalytic process separates into a non-polar organic-rich fraction and a highly polar water-rich fraction. The organic fraction can be used as a blendstock or feedstock for further processing in a refinery while, in the CFP process design, the aqueous phase is currently sent to wastewater treatment, which results in a loss of residual biogenic carbon present in this stream. This work focuses on the catalytic conversion of the biogenic carbon in pyrolysis aqueous phase streams to produce hydrocarbons using a vertical micro-reactor coupled to a molecular beam mass spectrometer (MBMS). The MBMS provides real-time analysis of products while also tracking catalyst deactivation. The catalyst used in this work was HZSM-5, which upgraded the oxygenated organics in the aqueous fraction to fuels comprising small olefins and aromatic hydrocarbons. During processing the aqueous bio-oil fraction the HZSM-5 catalyst exhibited higher activity and coke resistance than those observed in similar experiments using biomass or whole bio-oils. Reduced coking is likely due to ejection of coke precursors from the catalyst pores that was enhanced by excess process water available for steam stripping. The water reacted with coke precursors to form phenol, methylated phenols, naphthol, and methylated naphthols. Conversion data shows that up to 40 wt% of the carbon in the feed stream is recovered as hydrocarbons.

  8. Selection Criteria and Screening of Potential Biomass-Derived Streams as Fuel Blendstocks for Advanced Spark-Ignition Engines

    Energy Technology Data Exchange (ETDEWEB)

    McCormick, Robert L.; Fioroni, Gina; Fouts, Lisa; Christensen, Earl; Yanowitz, Janet; Polikarpov, Evgueni; Albrecht, Karl; Gaspar, Daniel J.; Gladden, John; George, Anthe

    2017-03-14

    We describe a study to identify potential biofuels that enable advanced spark ignition (SI) engine efficiency strategies to be pursued more aggressively. A list of potential biomass-derived blendstocks was developed. An online database of properties and characteristics of these bioblendstocks was created and populated. Fuel properties were determined by measurement, model prediction, or literature review. Screening criteria were developed to determine if a bioblendstock met the requirements for advanced SI engines. Criteria included melting point (or cloud point) < -10 degrees C and boiling point (or T90) <165 degrees C. Compounds insoluble or poorly soluble in hydrocarbon were eliminated from consideration, as were those known to cause corrosion (carboxylic acids or high acid number mixtures) and those with hazard classification as known or suspected carcinogens or reproductive toxins. Compounds predicted to be less anaerobically biodegradable than methyl-tert-butyl ether with water solubility greater than 10,000 mg/L were also eliminated. A minimum Research octane number (RON) of 98 was applied. These criteria produced a list of 40 bioblendstocks with promising properties. Additional property data, including Motor octane number (MON), heat of vaporization, and lower heating value, were acquired for these bioblendstocks. A subset of the bioblendstocks representing all functional groups were blended into gasoline or a gasoline surrogate to measure their effect on vapor pressure, distillation curve, oxidation stability, RON, and MON. For blending into a conventional or reformulated blendstock for E10 blending, ethanol, 2-butanol, isobutanol, and diisobutylene have the most desirable properties for blending of a high-octane advanced SI engine fuel.

  9. Characterization of size, number, concentration and morphology of particulate matter emitted from a high performance diesel combustion system using biomass derived fuels

    Energy Technology Data Exchange (ETDEWEB)

    Bhardwaj, Om Parkash; Krishnamurthy, Ketan; Kremer, Florian; Pischinger, Stefan [RWTH Aachen Univ. (Germany). Inst. for Combustion Engines; Berg, Angelika von; Roth, Georg [RWTH Aachen Univ. (Germany). Inst. of Crystallography; Lueers, Bernhard; Kolbeck, Andreas; Koerfer, Thomas [FEV GmbH, Aachen (Germany)

    2013-06-01

    Motor vehicle emissions have been identified as a major source of particulates. Although the low limits of particulate matter cause a need for a particulate trap in most of the present day diesel engines, the physical and chemical characterization of particles with the measures of size, number, volatility and reactivity etc. is of increasing interest with respect to the regeneration frequency and regeneration efficiency of a particulate trap. Within the Cluster of Excellence ''Tailor-Made Fuels from Biomass (TMFB)'' at RWTH Aachen University, the Institute for Combustion Engines carried out a detailed investigation program to explore the potential of future biofuel candidates for future combustion systems. The experiments for particulate measurements and analysis were conducted on a EURO 6 compliant High Efficiency Diesel Combustion System (HECS) with petroleum based diesel fuel as reference and today's biofuel (i.e. FAME) as well as a potential future biomass derived fuel candidate (i.e. 2-MTHF I DBE), being developed under TMFB approach. Soot samples collected on polycarbonate filters were analyzed using SEM; revealing vital informations regarding particle size distribution. Furthermore, thermophoretic sampling was also performed on copper grids and samples were analyzed using TEM to determine its graphitic micro-structure. In addition, X-Ray diffraction (XRD) measurements were also performed to get further quantitative information regarding crystal lattice parameters and structure of investigated soot. The results indicate more than 90% reduction in the mass and number concentrations of engine out particle emissions using future biomass derived fuel candidate. A good co-relation was observed between TEM micro-structure results and quantitative crystal lattice and structure information obtained from XRD studies, indicating higher reactivity for soot emitted from 2-MTHF/DBE. (orig.)

  10. Conversion of Biomass Derivatives to Electricity in Photo Fuel Cells using Undoped and Tungsten-doped Bismuth Vanadate Photoanodes.

    Science.gov (United States)

    Zhang, Bingqing; Shi, Jingying; Ding, Chunmei; Chong, Ruifeng; Zhang, Bao; Wang, Zhiliang; Li, Ailong; Liang, Zhenxing; Liao, Shijun; Li, Can

    2015-12-07

    The photo fuel cell (PFC) is a promising technology for simultaneously converting solar energy and bioenergy into electricity. Here, we present a miniature air-breathing PFC that uses either BiVO4 or W-doped BiVO4 as the photoanode and a Pt/C catalyst as the air-breathing cathode. The PFC exhibited excellent performance under solar illumination and when fed with several types of biomaterial. We found the PFC performance could be significantly enhanced using W-doping into the BiVO4 photoanode. With glucose as the fuel and simulated sunlight (AM 1.5 G) as the light source, the open-circuit voltage increased from 0.74 to 0.92 V, the short-circuit current density rose from 0.46 to 1.62 mA cm(-2) , and the maximum power density was boosted from 0.05 to 0.38 mW cm(-2) , compared to a PFC using undoped BiVO4 as the anode.

  11. Jet-Fuel Range Hydrocarbons from Biomass-Derived Sorbitol over Ni-HZSM-5/SBA-15 Catalyst

    Directory of Open Access Journals (Sweden)

    Yujing Weng

    2015-12-01

    Full Text Available Aromatics and cyclic-hydrocarbons are the significant components of jet fuel with high energy-density. However, conventional technologies for bio-fuel production cannot produce these products without further aromatization and isomerization. In this work, renewable liquid fuel with high content of aromatics and cyclic-hydrocarbons was obtained through aqueous catalytic conversion of biomass sorbitol over Ni-HZSM-5/SBA-15 catalyst. Texture characteristics of the catalyst were determined by physisorption of N2, which indicated its bimodal pore structures were microporous (HZSM-5, pore width: 0.56 nm and mesoporous (SBA-15, pore width: 8 nm. The surface acidity included weak and strong acid sites, predominantly Lewis type, and was further confirmed by the NH3-TPD and Py-IR analysis. The catalytic performances were tested in a fixed-bed reactor under the conditions of 593 K, WHSV of 0.75 h−1, GHSV of 2500 h−1 and 4.0 MPa of hydrogen pressure, whereby oil yield of 40.4 wt. % with aromatics and cyclic-hydrocarbons content of 80.0% was obtained.

  12. Photoelectrochemical hydrogen production from biomass derivatives and water.

    Science.gov (United States)

    Lu, Xihong; Xie, Shilei; Yang, Hao; Tong, Yexiang; Ji, Hongbing

    2014-11-21

    Hydrogen, a clean energy carrier with high energy capacity, is a very promising candidate as a primary energy source for the future. Photoelectrochemical (PEC) hydrogen production from renewable biomass derivatives and water is one of the most promising approaches to producing green chemical fuel. Compared to water splitting, hydrogen production from renewable biomass derivatives and water through a PEC process is more efficient from the viewpoint of thermodynamics. Additionally, the carbon dioxide formed can be re-transformed into carbohydrates via photosynthesis in plants. In this review, we focus on the development of photoanodes and systems for PEC hydrogen production from water and renewable biomass derivatives, such as methanol, ethanol, glycerol and sugars. We also discuss the future challenges and opportunities for the design of the state-of-the-art photoanodes and PEC systems for hydrogen production from biomass derivatives and water.

  13. Recent updates on lignocellulosic biomass derived ethanol - A review

    Directory of Open Access Journals (Sweden)

    Rajeev Kumar

    2016-03-01

    Full Text Available Lignocellulosic (or cellulosic biomass derived ethanol is the most promising near/long term fuel candidate. In addition, cellulosic biomass derived ethanol may serve a precursor to other fuels and chemicals that are currently derived from unsustainable sources and/or are proposed to be derived from cellulosic biomass. However, the processing cost for second generation ethanol is still high to make the process commercially profitable and replicable. In this review, recent trends in cellulosic biomass ethanol derived via biochemical route are reviewed with main focus on current research efforts that are being undertaken to realize high product yields/titers and bring the overall cost down.

  14. Liquid phase in situ hydrodeoxygenation of biomass-derived phenolic compounds to hydrocarbons over bifunctional catalysts

    Science.gov (United States)

    Junfeng Feng; Chung-yun Hse; Zhongzhi Yang; Kui Wang; Jianchun Jiang; Junming Xu

    2017-01-01

    The objective of this study was to find an effective method for converting renewable biomass-derived phenolic compounds into hydrocarbons bio-fuel via in situ catalytic hydrodeoxygenation. The in situ hydrodeoxygenation of biomass-derived phenolic compounds was carried out in methanol-water solvent over bifunctional catalysts of Raney Ni and HZSM-5 or H-Beta. In the in...

  15. 生物质衍生物催化转化制喷气燃料组分的研究进展%Progress in catalytic production of jet fuel range alkanes from biomass-derivatives

    Institute of Scientific and Technical Information of China (English)

    闫瑞; 郭勇; 李杨; 陶志平

    2016-01-01

    随着我国航空业的不断发展,对喷气燃料的需求也日益增加。在石油危机和环境问题日益严重的背景下,如何可再生地利用生物质资源生产出喷气燃料组分来部分代替传统炼油得到的喷气燃料受到相关科研人员密切关注。从催化的层面入手,本文回顾了利用催化化学方法将生物质衍生物催化制备转化为喷气燃料组分的不同途径,介绍了合成高密度、高辛烷值等高品质喷气燃料组分的新型工艺路线,给出不同糖醇平台的优缺点,如:单官能团化合物平台工艺路线复杂,目的产物选择性低;糠醛和5-羟甲基糠醛平台、乙酰丙酸和γ-戊内酯平台、2-甲基呋喃平台目前工艺较为成熟,已实现工业化。在此基础上,总结分析了目前以糖醇平台催化制备喷气燃料组分的研究状况,指出解决单糖到平台化合物大规模生产问题和研发高效、水热稳定性好的加氢脱氧催化剂可能是未来该领域研究的重点。%With the existence of an oil crisis and environmental problems,more attention is being paid to methods for producing jet fuel components from biomass instead of traditional fossil resources. Starting from the level of catalysis,this paper reviews several technologies for producing jet fuel range alkanes from biomass-derivatives by catalysis,especially some creative technologies for obtaining high-quality jet fuel range alkanes. Then,the advantages and disadvantages of different technologies were discussed. For example,compared to the complicated routes of mono-functional compound platforms,those of the furfural platform andγ-valerolactone platform got higher conversion rate and selectivity and had achieved industrialization. In conclusion,the platform chemicals production and stable catalysts preparation are highly expected to be the subject of future research in this field.

  16. Polymerization of nonfood biomass-derived monomers to sustainable polymers.

    Science.gov (United States)

    Zhang, Yuetao; Chen, Eugene Y-X

    2014-01-01

    The development of sustainable routes to fine chemicals, liquid fuels, and polymeric materials from natural resources has attracted significant attention from academia, industry, the general public, and governments owing to dwindling fossil resources, surging energy demand, global warming concerns, and other environmental problems. Cellulosic material, such as grasses, trees, corn stover, or wheat straw, is the most abundant nonfood renewable biomass resources on earth. Such annually renewable material can potentially meet our future needs with a low carbon footprint if it can be efficiently converted into fuels, value added chemicals, or polymeric materials. This chapter focuses on various renewable monomers derived directly from cellulose or cellulose platforms and corresponding sustainable polymers or copolymers produced therefrom. Recent advances related to the polymerization processes and the properties of novel biomass-derived polymers are also reviewed and discussed.

  17. Impact of Biomass-Derived Contaminants on SOFCs with Ni/Gadolinia-Doped Ceria Anodes

    NARCIS (Netherlands)

    Aravind, P.V.; Ouweltjes, J.P.; Woudstra, N.; Rietveld, G.

    2007-01-01

    The impact of biomass-derived contaminants on solid-oxide fuel cells (SOFCs) with Ni/gadolinia-doped ceria (GDC) anodes was investigated using electrochemical impedance analysis. Measurements were carried out with symmetric test cells under a single-gas atmosphere. The impact of H2S, HCl, and naphth

  18. Biomass-Derived Hydrogen from a Thermally Ballasted Gasifier

    Energy Technology Data Exchange (ETDEWEB)

    Brown, Robert C

    2007-04-06

    The goal of this project is to develop an indirectly heated gasification system that converts switchgrass into hydrogen-rich gas suitable for powering fuel cells. The project includes investigations of the indirectly-heated gasifier, development of particulate removal equipment, evaluation of catalytic methods for upgrading producer gas, development of contaminant measurement and control techniques, modeling of the thermal performance of the ballasted gasifier, and estimation of the cost of hydrogen from the proposed gasification system. Specific technologies investigated include a thermally ballasted gasifier, a moving bed granular filter, and catalytic reactors for steam reforming and water-gas shift reaction. The approach to this project was to employ a pilot-scale (5 ton per day) gasifier to evaluate the thermally ballasted gasifier as a means for producing hydrogen from switchgrass. A slipstream from the gasifier was used to evaluate gas cleaning and upgrading options. Other tests were conducted with laboratory-scale equipment using simulated producer gas. The ballasted gasifier operated in conjunction with a steam reformer and two-stage water-gas shift reactor produced gas streams containing 54.5 vol-% H2. If purge gas to the feeder system could be substantially eliminated, hydrogen concentration would reach 61 vol-%, which closely approaches the theoretical maximum of 66 vol-%. Tests with a combined catalyst/sorbent system demonstrated that steam reforming and water-gas shift reaction could be substantially performed in a single reactor and achieve hydrogen concentrations exceeding 90 vol-%. Cold flow trials with a laboratory-scale moving bed granular filter achieved particle removal efficiencies exceeding 99%. Two metal-based sorbents were tested for their ability to remove H2S from biomass-derived producer gas. The ZnO sorbent, tested at 450° C, was effective in reducing H2S from 200 ppm to less than 2 ppm (>99% reduction) while tests with the MnO sorbent

  19. Methods for deoxygenating biomass-derived pyrolysis oil

    Science.gov (United States)

    Baird, Lance Awender; Brandvold, Timothy A.

    2015-06-30

    Methods for deoxygenating a biomass-derived pyrolysis oil are provided. A method for deoxygenating a biomass-derived pyrolysis oil comprising the steps of combining a biomass-derived pyrolysis oil stream with a heated low-oxygen-pyoil diluent recycle stream to form a heated diluted pyoil feed stream is provided. The heated diluted pyoil feed stream has a feed temperature of about 150.degree. C. or greater. The heated diluted pyoil feed stream is contacted with a first deoxygenating catalyst in the presence of hydrogen at first hydroprocessing conditions effective to form a low-oxygen biomass-derived pyrolysis oil effluent.

  20. Chemical looping combustion of biomass-derived syngas using ceria-supported oxygen carriers.

    Science.gov (United States)

    Huang, H B; Aisyah, L; Ashman, P J; Leung, Y C; Kwong, C W

    2013-07-01

    Cu, Ni and Fe oxides supported on ceria were investigated for their performance as oxygen carriers during the chemical looping combustion of biomass-derived syngas. A complex gas mixture containing CO, H2, CO2, CH4 and other hydrocarbons was used to simulate the complex fuel gas environment derived from biomass gasification. Results show that the transfer of the stored oxygen into oxidants for the supported Cu and Ni oxides at 800°C for the combustion of syngas was effective (>85%). The unsupported Cu oxide showed high oxygen carrying capacity but particle sintering was observed at 800°C. A reaction temperature of 950°C was required for the supported Fe oxides to transfer the stored oxygen into oxidants effectively. Also, for the complex fuel gas environment, the supported Ni oxide was somewhat effective in reforming CH4 and other light hydrocarbons into CO, which may have benefits for the reduction of tar produced during biomass pyrolysis.

  1. FUEL ASSEMBLY SHAKER TEST SIMULATION

    Energy Technology Data Exchange (ETDEWEB)

    Klymyshyn, Nicholas A.; Sanborn, Scott E.; Adkins, Harold E.; Hanson, Brady D.

    2013-05-30

    This report describes the modeling of a PWR fuel assembly under dynamic shock loading in support of the Sandia National Laboratories (SNL) shaker test campaign. The focus of the test campaign is on evaluating the response of used fuel to shock and vibration loads that a can occur during highway transport. Modeling began in 2012 using an LS-DYNA fuel assembly model that was first created for modeling impact scenarios. SNL’s proposed test scenario was simulated through analysis and the calculated results helped guide the instrumentation and other aspects of the testing. During FY 2013, the fuel assembly model was refined to better represent the test surrogate. Analysis of the proposed loads suggested the frequency band needed to be lowered to attempt to excite the lower natural frequencies of the fuel assembly. Despite SNL’s expansion of lower frequency components in their five shock realizations, pretest predictions suggested a very mild dynamic response to the test loading. After testing was completed, one specific shock case was modeled, using recorded accelerometer data to excite the model. Direct comparison of predicted strain in the cladding was made to the recorded strain gauge data. The magnitude of both sets of strain (calculated and recorded) are very low, compared to the expected yield strength of the Zircaloy-4 material. The model was accurate enough to predict that no yielding of the cladding was expected, but its precision at predicting micro strains is questionable. The SNL test data offers some opportunity for validation of the finite element model, but the specific loading conditions of the testing only excite the fuel assembly to respond in a limited manner. For example, the test accelerations were not strong enough to substantially drive the fuel assembly out of contact with the basket. Under this test scenario, the fuel assembly model does a reasonable job of approximating actual fuel assembly response, a claim that can be verified through

  2. Bionic energy system based on an air breathing chemoelectric converter (fuel cell) with biomass-derived glucose as hydrogen transfer medium and assessment of renewable glucose production; Bionisches Energiesystem auf der Basis eines luftatmenden chemoelektrischen Wandlers (Brennstoffzelle) mit Glucose aus Biomasse als Wasserstoffuebertraeger sowie Abschaetzung des Potentials an nachwachsender Glucose

    Energy Technology Data Exchange (ETDEWEB)

    Radebold, R.; Radebold, W.

    2001-07-01

    The fundamental principles and thermodynamics of the biological energy system as well as the role of glucose and H{sub 2}O{sub 2} in the photosynthesis and breathing processes are briefly explained. Transposition of the principles in a bionic energy system is discussed, and resulting engineering aspects and advantages of a bionic energy system based on renewable biomass-derived glucose are shown and compared with conventional energy systems based on fossil fuels. The potential of inland production of suitable biomass is assessed. (orig./CB) [German] Funktion und Thermodynamik des biologischen Energiesystems sowie die Rollen von Glucose und H{sub 2}O{sub 2} in Photosynthese und Atmung werden kurz erlaeutert, ueber die Umsetzung dieser Prinzipien zu einem bionischen Energiesystem wird berichtet. Technische Konsequenzen und Vorteile eines bionischen Energiesystems mit Glucose aus nachwachsender Biomasse werden im Vergleich zum heutigen technischen Energiesystems mit fossilen Brennstoffen eroertert. Eine Schaetzung des heimischen Potentials an nachwachsender, fuer diese Zwecke geeigneter Biomasse wird vorgelegt: rund die Haelfte der heutigen Nutzenergie koennte ueber ein bionisches Energiesystem bereitgestellt werden. (orig.)

  3. High Fidelity BWR Fuel Simulations

    Energy Technology Data Exchange (ETDEWEB)

    Yoon, Su Jong [Idaho National Lab. (INL), Idaho Falls, ID (United States)

    2016-08-01

    This report describes the Consortium for Advanced Simulation of Light Water Reactors (CASL) work conducted for completion of the Thermal Hydraulics Methods (THM) Level 3 milestone THM.CFD.P13.03: High Fidelity BWR Fuel Simulation. High fidelity computational fluid dynamics (CFD) simulation for Boiling Water Reactor (BWR) was conducted to investigate the applicability and robustness performance of BWR closures. As a preliminary study, a CFD model with simplified Ferrule spacer grid geometry of NUPEC BWR Full-size Fine-mesh Bundle Test (BFBT) benchmark has been implemented. Performance of multiphase segregated solver with baseline boiling closures has been evaluated. Although the mean values of void fraction and exit quality of CFD result for BFBT case 4101-61 agreed with experimental data, the local void distribution was not predicted accurately. The mesh quality was one of the critical factors to obtain converged result. The stability and robustness of the simulation was mainly affected by the mesh quality, combination of BWR closure models. In addition, the CFD modeling of fully-detailed spacer grid geometry with mixing vane is necessary for improving the accuracy of CFD simulation.

  4. Modular PEM Fuel Cell SCADA & Simulator System

    Directory of Open Access Journals (Sweden)

    Francisca Segura

    2015-09-01

    Full Text Available The paper presents a Supervision, Control, Data Acquisition and Simulation (SCADA & Simulator system that allows for real-time training in the actual operation of a modular PEM fuel cell system. This SCADA & Simulator system consists of a free software tool that operates in real time and simulates real situations like failures and breakdowns in the system. This developed SCADA & Simulator system allows us to properly operate a fuel cell and helps us to understand how fuel cells operate and what devices are needed to configure and run the fuel cells, from the individual stack up to the whole fuel cell system. The SCADA & Simulator system governs a modular system integrated by three PEM fuel cells achieving power rates higher than tens of kilowatts.

  5. Methods and apparatuses for deoxygenating biomass-derived pyrolysis oil

    Energy Technology Data Exchange (ETDEWEB)

    Baird, Lance Awender; Brandvold, Timothy A.

    2015-10-20

    Embodiments of methods and apparatuses for deoxygenating a biomass-derived pyrolysis oil are provided. In one example, a method comprises the steps of separating a low-oxygen biomass-derived pyrolysis oil effluent into a low-oxygen-pyoil organic phase stream and an aqueous phase stream. Phenolic compounds are removed from the aqueous phase stream to form a phenolic-rich diluent recycle stream. A biomass-derived pyrolysis oil stream is diluted and heated with the phenolic-rich diluent recycle stream to form a heated diluted pyoil feed stream. The heated diluted pyoil feed stream is contacted with a deoxygenating catalyst in the presence of hydrogen to deoxygenate the heated diluted pyoil feed stream.

  6. Thermal diffusivity of simulated DUPIC fuel

    Energy Technology Data Exchange (ETDEWEB)

    Kang, Kweon Ho; Yang, M. S.; Bae, K. K.; Moon, I. H.; Jung, K. C.; Song, H. S.; Park, C. Y.; Lee, D. J.; Kim, H. S

    2000-06-01

    Thermal diffusivity of simulated DUPIC fuel was measured using Laser Flash Method in the temperautre range from room temperature to 1350 deg C. Density of simulated DUPIC fuel used in the measurement of thermal difusivity was 10.16 g/cm{sup 3} (94.2% of theoretical density) at room temperature and diameter and thickness were 10 mm and 1 mm, respectively. Thermal diffusivity decreased from 0.01857 cm{sup 2}/s at room temperature to 0.00523 cm{sup 2}/s at 1350 deg C. Thermal diffusivity of simulated DUPIC fuel and UO{sub 2} and simulated spent fuel. The difference of thermal diffusivity between simulated DUPIC fule and UO{sub 2} and simulated spent fuel was high and it decreased due to temperature increase.

  7. Thermal diffusivity of simulated DUPIC fuel

    Energy Technology Data Exchange (ETDEWEB)

    Kang, Kweon Ho; Yang, M. S.; Bae, K. K.; Moon, I. H.; Jung, K. C.; Song, H. S.; Park, C. Y.; Lee, D. J.; Kim, H. S

    2000-06-01

    Thermal diffusivity of simulated DUPIC fuel was measured using Laser Flash Method in the temperautre range from room temperature to 1350 deg C. Density of simulated DUPIC fuel used in the measurement of thermal difusivity was 10.16 g/cm{sup 3} (94.2% of theoretical density) at room temperature and diameter and thickness were 10 mm and 1 mm, respectively. Thermal diffusivity decreased from 0.01857 cm{sup 2}/s at room temperature to 0.00523 cm{sup 2}/s at 1350 deg C. Thermal diffusivity of simulated DUPIC fuel and UO{sub 2} and simulated spent fuel. The difference of thermal diffusivity between simulated DUPIC fule and UO{sub 2} and simulated spent fuel was high and it decreased due to temperature increase.

  8. VISION: Verifiable Fuel Cycle Simulation Model

    Energy Technology Data Exchange (ETDEWEB)

    Jacob J. Jacobson; Abdellatif M. Yacout; Gretchen E. Matthern; Steven J. Piet; David E. Shropshire

    2009-04-01

    The nuclear fuel cycle is a very complex system that includes considerable dynamic complexity as well as detail complexity. In the nuclear power realm, there are experts and considerable research and development in nuclear fuel development, separations technology, reactor physics and waste management. What is lacking is an overall understanding of the entire nuclear fuel cycle and how the deployment of new fuel cycle technologies affects the overall performance of the fuel cycle. The Advanced Fuel Cycle Initiative’s systems analysis group is developing a dynamic simulation model, VISION, to capture the relationships, timing and delays in and among the fuel cycle components to help develop an understanding of how the overall fuel cycle works and can transition as technologies are changed. This paper is an overview of the philosophy and development strategy behind VISION. The paper includes some descriptions of the model and some examples of how to use VISION.

  9. International symposium on fuel rod simulators: development and application

    Energy Technology Data Exchange (ETDEWEB)

    McCulloch, R.W. (comp.)

    1981-05-01

    Separate abstracts are included for each of the papers presented concerning fuel rod simulator operation and performance; simulator design and evaluation; clad heated fuel rod simulators and fuel rod simulators for cladding investigations; fuel rod simulator components and inspection; and simulator analytical modeling. Ten papers have previously been input to the Energy Data Base.

  10. Sustainable biomass-derived hydrothermal carbons for energy applications

    Energy Technology Data Exchange (ETDEWEB)

    Falco, Camillo

    2012-01-15

    The need to reduce humankind reliance on fossil fuels by exploiting sustainably the planet renewable resources is a major driving force determining the focus of modern material research. For this reason great interest is nowadays focused on finding alternatives to fossil fuels derived products/materials. For the short term the most promising substitute is undoubtedly biomass, since it is the only renewable and sustainable alternative to fossil fuels as carbon source. As a consequence efforts, aimed at finding new synthetic approaches to convert biomass and its derivatives into carbon-based materials, are constantly increasing. In this regard, hydrothermal carbonisation (HTC) has shown to be an effective means of conversion of biomass-derived precursors into functional carbon materials. However the attempts to convert raw biomass, in particular lignocellulosic one, directly into such products have certainly been rarer. Unlocking the direct use of these raw materials as carbon precursors would definitely be beneficial in terms of HTC sustainability. For this reason, in this thesis the HTC of carbohydrate and protein-rich biomass was systematically investigated, in order to obtain more insights on the potentials of this thermochemical processing technique in relation to the production of functional carbon materials from crude biomass. First a detailed investigation on the HTC conversion mechanism of lignocellulosic biomass and its single components (i.e. cellulose, lignin) was developed based on a comparison with glucose HTC, which was adopted as a reference model. In the glucose case it was demonstrated that varying the HTC temperature allowed tuning the chemical structure of the synthesised carbon materials from a highly cross-linked furan-based structure (T = 180 C) to a carbon framework composed of polyaromatic arene-like domains. When cellulose or lignocellulosic biomass was used as carbon precursor, the furan rich structure could not be isolated at any of the

  11. Sustainable biomass-derived hydrothermal carbons for energy applications

    Energy Technology Data Exchange (ETDEWEB)

    Falco, Camillo

    2012-01-15

    The need to reduce humankind reliance on fossil fuels by exploiting sustainably the planet renewable resources is a major driving force determining the focus of modern material research. For this reason great interest is nowadays focused on finding alternatives to fossil fuels derived products/materials. For the short term the most promising substitute is undoubtedly biomass, since it is the only renewable and sustainable alternative to fossil fuels as carbon source. As a consequence efforts, aimed at finding new synthetic approaches to convert biomass and its derivatives into carbon-based materials, are constantly increasing. In this regard, hydrothermal carbonisation (HTC) has shown to be an effective means of conversion of biomass-derived precursors into functional carbon materials. However the attempts to convert raw biomass, in particular lignocellulosic one, directly into such products have certainly been rarer. Unlocking the direct use of these raw materials as carbon precursors would definitely be beneficial in terms of HTC sustainability. For this reason, in this thesis the HTC of carbohydrate and protein-rich biomass was systematically investigated, in order to obtain more insights on the potentials of this thermochemical processing technique in relation to the production of functional carbon materials from crude biomass. First a detailed investigation on the HTC conversion mechanism of lignocellulosic biomass and its single components (i.e. cellulose, lignin) was developed based on a comparison with glucose HTC, which was adopted as a reference model. In the glucose case it was demonstrated that varying the HTC temperature allowed tuning the chemical structure of the synthesised carbon materials from a highly cross-linked furan-based structure (T = 180 C) to a carbon framework composed of polyaromatic arene-like domains. When cellulose or lignocellulosic biomass was used as carbon precursor, the furan rich structure could not be isolated at any of the

  12. Modeling and Simulation of Nuclear Fuel Materials

    Energy Technology Data Exchange (ETDEWEB)

    Devanathan, Ramaswami; Van Brutzel, Laurent; Chartier, Alan; Gueneau, Christine; Mattsson, Ann E.; Tikare, Veena; Bartel, Timothy; Besmann, T. M.; Stan, Marius; Van Uffelen, Paul

    2010-10-01

    We review the state of modeling and simulation of nuclear fuels with emphasis on the most widely used nuclear fuel, UO2. The hierarchical scheme presented represents a science-based approach to modeling nuclear fuels by progressively passing information in several stages from ab initio to continuum levels. Such an approach is essential to overcome the challenges posed by radioactive materials handling, experimental limitations in modeling extreme conditions and accident scenarios, and the small time and distance scales of fundamental defect processes. When used in conjunction with experimental validation, this multiscale modeling scheme can provide valuable guidance to development of fuel for advanced reactors to meet rising global energy demand.

  13. Isolation and Characterization of Acid-Tolerant, Thermophilic Bacteria for Effective Fermentation of Biomass-Derived Sugars to Lactic Acid

    OpenAIRE

    Patel, Milind A.; Ou, Mark S.; Harbrucker, Roberta; Aldrich, Henry C.; Buszko, Marian L.; Ingram, Lonnie O.; K T Shanmugam

    2006-01-01

    Biomass-derived sugars, such as glucose, xylose, and other minor sugars, can be readily fermented to fuel ethanol and commodity chemicals by the appropriate microbes. Due to the differences in the optimum conditions for the activity of the fungal cellulases that are required for depolymerization of cellulose to fermentable sugars and the growth and fermentation characteristics of the current industrial microbes, simultaneous saccharification and fermentation (SSF) of cellulose is envisioned a...

  14. Multidimensional multiphysics simulation of nuclear fuel behavior

    Science.gov (United States)

    Williamson, R. L.; Hales, J. D.; Novascone, S. R.; Tonks, M. R.; Gaston, D. R.; Permann, C. J.; Andrs, D.; Martineau, R. C.

    2012-04-01

    Nuclear fuel operates in an environment that induces complex multiphysics phenomena, occurring over distances ranging from inter-atomic spacing to meters, and times scales ranging from microseconds to years. This multiphysics behavior is often tightly coupled and many important aspects are inherently multidimensional. Most current fuel modeling codes employ loose multiphysics coupling and are restricted to 2D axisymmetric or 1.5D approximations. This paper describes a new modeling tool able to simulate coupled multiphysics and multiscale fuel behavior, for either 2D axisymmetric or 3D geometries. Specific fuel analysis capabilities currently implemented in this tool are described, followed by a set of demonstration problems which include a 10-pellet light water reactor fuel rodlet, three-dimensional analysis of pellet clad mechanical interaction in the vicinity of a defective fuel pellet, coupled heat transfer and fission product diffusion in a TRISO-coated fuel particle, a demonstration of the ability to couple to lower-length scale models to account for material property variation with microstructural evolution, and a demonstration of the tool's ability to efficiently solve very large and complex problems using massively-parallel computing. A final section describes an early validation exercise, comparing simulation results to a light water reactor fuel rod experiment.

  15. Bifunctional Catalysts for Upgrading of Biomass-Derived Oxygenates: A Review

    Energy Technology Data Exchange (ETDEWEB)

    Robinson, Allison M.; Hensley, Jesse E.; Medlin, J. Will

    2016-08-05

    Deoxygenation is an important reaction in the conversion of biomass-derived oxygenates to fuels and chemicals. A key route for biomass refining involves the production of pyrolysis oil through rapid heating of the raw biomass feedstock. Pyrolysis oil as produced is highly oxygenated, so the feasibility of this approach depends in large part on the ability to selectively deoxygenate pyrolysis oil components to create a stream of high-value finished products. Identification of catalytic materials that are active and selective for deoxygenation of pyrolysis oil components has therefore represented a major research area. One catalyst is rarely capable of performing the different types of elementary reaction steps required to deoxygenate biomass-derived compounds. For this reason, considerable attention has been placed on bifunctional catalysts, where two different active materials are used to provide catalytic sites for diverse reaction steps. Here, we review recent trends in the development of catalysts, with a focus on catalysts for which a bifunctional effect has been proposed. We summarize recent studies of hydrodeoxygenation (HDO) of pyrolysis oil and model compounds for a range of materials, including supported metal and bimetallic catalysts as well as transition-metal oxides, sulfides, carbides, nitrides, and phosphides. Particular emphasis is placed on how catalyst structure can be related to performance via molecular-level mechanisms. These studies demonstrate the importance of catalyst bifunctionality, with each class of materials requiring hydrogenation and C-O scission sites to perform HDO at reasonable rates.

  16. Sustainable Production of o-Xylene from Biomass-Derived Pinacol and Acrolein.

    Science.gov (United States)

    Hu, Yancheng; Li, Ning; Li, Guangyi; Wang, Aiqin; Cong, Yu; Wang, Xiaodong; Zhang, Tao

    2017-07-21

    o-Xylene (OX) is a large-volume commodity chemical that is conventionally produced from fossil fuels. In this study, an efficient and sustainable two-step route is used to produce OX from biomass-derived pinacol and acrolein. In the first step, the phosphotungstic acid (HPW)-catalyzed pinacol dehydration in 1-ethyl-3-methylimidazolium chloride ([emim]Cl) selectively affords 2,3-dimethylbutadiene. The high selectivity of this reaction can be ascribed to the H-bonding interaction between Cl(-) and the hydroxy group of pinacol. The stabilization of the carbocation intermediate by the surrounding anion Cl(-) may be another reason for the high selectivity. Notably, the good reusability of the HPW/[emim]Cl system can reduce the waste output and production cost. In the second step, OX is selectively produced by a Diels-Alder reaction of 2,3-dimethylbutadiene and acrolein, followed by a Pd/C-catalyzed decarbonylation/aromatization cascade in a one-pot fashion. The sustainable two-step process efficiently produces renewable OX in 79 % overall yield. Analogously, biomass-derived crotonaldehyde and pinacol can also serve as the feedstocks for the production of 1,2,4-trimethylbenzene. © 2017 Wiley-VCH Verlag GmbH & Co. KGaA, Weinheim.

  17. Quantification of acidic compounds in complex biomass-derived streams

    Energy Technology Data Exchange (ETDEWEB)

    Karp, Eric M.; Nimlos, Claire T.; Deutch, Steve; Salvachúa, Davinia; Cywar, Robin M.; Beckham, Gregg T.

    2016-01-01

    Biomass-derived streams that contain acidic compounds from the degradation of lignin and polysaccharides (e.g. black liquor, pyrolysis oil, pyrolytic lignin, etc.) are chemically complex solutions prone to instability and degradation during analysis, making quantification of compounds within them challenging. Here we present a robust analytical method to quantify acidic compounds in complex biomass-derived mixtures using ion exchange, sample reconstitution in pyridine and derivatization with BSTFA. The procedure is based on an earlier method originally reported for kraft black liquors and, in this work, is applied to identify and quantify a large slate of acidic compounds in corn stover derived alkaline pretreatment liquor (APL) as a function of pretreatment severity. Analysis of the samples is conducted with GCxGC-TOFMS to achieve good resolution of the components within the complex mixture. The results reveal the dominant low molecular weight components and their concentrations as a function of pretreatment severity. Application of this method is also demonstrated in the context of lignin conversion technologies by applying it to track the microbial conversion of an APL substrate. Here too excellent results are achieved, and the appearance and disappearance of compounds is observed in agreement with the known metabolic pathways of two bacteria, indicating the sample integrity was maintained throughout analysis. Finally, it is shown that this method applies more generally to lignin-rich materials by demonstrating its usefulness in analysis of pyrolysis oil and pyrolytic lignin.

  18. Analysis and simulation of straw fuel logistics

    Energy Technology Data Exchange (ETDEWEB)

    Nilsson, Daniel [Swedish Univ. of Agricultural Sciences, Uppsala (Sweden). Dept. of Agricultural Engineering

    1998-12-31

    Straw is a renewable biomass that has a considerable potential to be used as fuel in rural districts. This bulky fuel is, however, produced over large areas and must be collected during a limited amount of days and taken to the storages before being ultimately transported to heating plants. Thus, a well thought-out and cost-effective harvesting and handling system is necessary to provide a satisfactory fuel at competitive costs. Moreover, high-quality non-renewable fuels are used in these operations. To be sustainable, the energy content of these fuels should not exceed the energy extracted from the straw. The objective of this study is to analyze straw as fuel in district heating plants with respect to environmental and energy aspects, and to improve the performance and reduce the costs of straw handling. Energy, exergy and emergy analyses were used to assess straw as fuel from an energy point of view. The energy analysis showed that the energy balance is 12:1 when direct and indirect energy requirements are considered. The exergy analysis demonstrated that the conversion step is ineffective, whereas the emergy analysis indicated that large amounts of energy have been used in the past to form the straw fuel (the net emergy yield ratio is 1.1). A dynamic simulation model, called SHAM (Straw HAndling Model), has also been developed to investigate handling of straw from the fields to the plant. The primary aim is to analyze the performance of various machinery chains and management strategies in order to reduce the handling costs and energy needs. The model, which is based on discrete event simulation, takes both weather and geographical conditions into account. The model has been applied to three regions in Sweden (Svaloev, Vara and Enkoeping) in order to investigate the prerequisites for straw harvest at these locations. The simulations showed that straw has the best chances to become a competitive fuel in south Sweden. It was also demonstrated that costs can be

  19. Development of the fabrication technology of the simulated DUPIC fuel

    Energy Technology Data Exchange (ETDEWEB)

    Kang, Kweon Ho; Yang, M. S.; Bae, K. K. and others

    2000-06-01

    It is important to get basic data to analysis physical properties, behavior in reactor and performance of the DUPIC fuel because physical properties of the DUPIC fuel is different from the commercial UO{sub 2} fuel. But what directly measures physical properties et al. of DUPIC fuel being resinterred simulated spent fuel through OREOX process is very difficult in laboratory owing to its high level radiation. Then fabrication of simulated DUPIC fuel is needed to measure its properties. In this study, processes on powder treatment, OREOX, compaction and sintering to fabricate simulated DUPIC fuel using simulated spent fuel are discribed. To fabricate simulated DUPIC fuel, the powder from 3 times OREOX and 5 times attrition milling simulated spent fuel is compacted with 1.3 ton/cm{sup 2}. Pellets are sintered in 100% H{sub 2} atmosphere over 10 h at 1800 deg C. Sintered densities of pellets are 10.2-10.5 g/cm{sup 3}.

  20. Industrial thermoforming simulation of automotive fuel tanks

    Energy Technology Data Exchange (ETDEWEB)

    Wiesche, S. aus der [Kautex Textron GmbH and Co., Bonn (Germany)

    2004-11-01

    An industrial thermoforming simulation with regard to automotive plastic fuel tanks is presented including all relevant process stages. The radiative and conductive heat transfer during the reheat stage, the deformation and stress behaviour during the forming stage, and the final cooling stage are simulated. The modelling of the thermal and rheological behaviour of the involved material is investigated in greater detail. By means of experimental data it is found that modelling of the phase transition during the process is highly important for predicting correct wall thickness distributions. (author)

  1. Catalytic Production of Ethanol from Biomass-Derived Synthesis Gas

    Energy Technology Data Exchange (ETDEWEB)

    Trewyn, Brian G. [Colorado School of Mines, Golden, CO (United States); Smith, Ryan G. [Iowa State Univ., Ames, IA (United States)

    2016-06-01

    Heterogeneous catalysts have been developed for the conversion of biomass-derived synthetic gas (syngas) to ethanol. The objectives of this project were to develop a clean synthesis gas from biomass and develop robust catalysts with high selectivity and lifetime for C2 oxygenate production from biomass-derived syngas and surrogate syngas. During the timeframe for this project, we have made research progress on the four tasks: (1) Produce clean bio-oil generated from biomass, such as corn stover or switchgrass, by using fast pyrolysis system, (2) Produce clean, high pressure synthetic gas (syngas: carbon monoxide, CO, and hydrogen, H2) from bio-oil generated from biomass by gasification, (3) Develop and characterize mesoporous mixed oxide-supported metal catalysts for the selective production of ethanol and other alcohols, such as butanol, from synthesis gas, and (4) Design and build a laboratory scale synthesis gas to ethanol reactor system evaluation of the process. In this final report, detailed explanations of the research challenges associated with this project are given. Progress of the syngas production from various biomass feedstocks and catalyst synthesis for upgrading the syngas to C2-oxygenates is included. Reaction properties of the catalyst systems under different reaction conditions and different reactor set-ups are also presented and discussed. Specifically, the development and application of mesoporous silica and mesoporous carbon supports with rhodium nanoparticle catalysts and rhodium nanoparticle with manganese catalysts are described along with the significant material characterizations we completed. In addition to the synthesis and characterization, we described the activity and selectivity of catalysts in our micro-tubular reactor (small scale) and fixed bed reactor (larger scale). After years of hard work, we are proud of the work done on this project, and do believe that this work will provide a solid

  2. Combustion Simulation and Quick-freeze Observation of a Cupola-furnace Process Using a Bio-coke Fuel Based on Tea Scum

    Science.gov (United States)

    Ishii, Kazuyoshi; Murata, Hirotoshi; Kuwana, Kazunori; Mizuno, Satoru; Morita, Akihiro; Ida, Tamio

    Global environment problems have become more and more serious in recent years, and reduction of greenhouse gas emission based on Kyoto Protocol adopted at the 3rd conference of the parties of the United nations Framework Convention on Climate Change (COP3); securement of primary energy source and development of clean and renewable energy sources have been pressingly needed in consideration of the predicted depletion of fossil fuel in the future. In this study, we explore the use of a solidified biomass-derived fuel, having the maximum compressive strength of 100MPa and calorific value of 21MJ/kg, in iron-casting or iron-making processes as an alternative fuel to be mixed with coal coke. This study, carried out for internal observation using a quick-freeze technique, observed an actual working cupola furnace under the 20% alternative coal coke operation condition. After quick freeze of the cupola furnace, the solidified biomass fuel was found to inhabit near the iron-melting zone. Especially, this solidified biomass fuel smoothly changes carbonized fuel through high-density state during the operating process. On the other hand, this study tried to simulate gasification combustion under a high temperature environment instead of actual internal combustion of solidified biomass fuel. These combustion mechanisms were confirmed to be similar to diffusion-flame phenomena in general.

  3. MMSNF 2005. Materials models and simulations for nuclear fuels

    Energy Technology Data Exchange (ETDEWEB)

    Freyss, M.; Durinck, J.; Carlot, G.; Sabathier, C.; Martin, P.; Garcia, P.; Ripert, M.; Blanpain, P.; Lippens, M.; Schut, H.; Federov, A.V.; Bakker, K.; Osaka, M.; Miwa, S.; Sato, I.; Tanaka, K.; Kurosaki, K.; Uno, M.; Yamanaka, S.; Govers, K.; Verwerft, M.; Hou, M.; Lemehov, S.E.; Terentyev, D.; Govers, K.; Kotomin, E.A.; Ashley, N.J.; Grimes, R.W.; Van Uffelen, P.; Mastrikov, Y.; Zhukovskii, Y.; Rondinella, V.V.; Kurosaki, K.; Uno, M.; Yamanaka, S.; Minato, K.; Phillpot, S.; Watanabe, T.; Shukla, P.; Sinnott, S.; Nino, J.; Grimes, R.; Staicu, D.; Hiernaut, J.P.; Wiss, T.; Rondinella, V.V.; Ronchi, C.; Yakub, E.; Kaye, M.H.; Morrison, C.; Higgs, J.D.; Akbari, F.; Lewis, B.J.; Thompson, W.T.; Gueneau, C.; Gosse, S.; Chatain, S.; Dumas, J.C.; Sundman, B.; Dupin, N.; Konings, R.; Noel, H.; Veshchunov, M.; Dubourg, R.; Ozrin, C.V.; Veshchunov, M.S.; Welland, M.T.; Blanc, V.; Michel, B.; Ricaud, J.M.; Calabrese, R.; Vettraino, F.; Tverberg, T.; Kissane, M.; Tulenko, J.; Stan, M.; Ramirez, J.C.; Cristea, P.; Rachid, J.; Kotomin, E.; Ciriello, A.; Rondinella, V.V.; Staicu, D.; Wiss, T.; Konings, R.; Somers, J.; Killeen, J

    2006-07-01

    The MMSNF Workshop series aims at stimulating research and discussions on models and simulations of nuclear fuels and coupling the results into fuel performance codes.This edition was focused on materials science and engineering for fuel performance codes. The presentations were grouped in three technical sessions: fundamental modelling of fuel properties; integral fuel performance codes and their validation; collaborations and integration of activities. (A.L.B.)

  4. Suitability of marginal biomass-derived biochars for soil amendment.

    Science.gov (United States)

    Buss, Wolfram; Graham, Margaret C; Shepherd, Jessica G; Mašek, Ondřej

    2016-03-15

    The term "marginal biomass" is used here to describe materials of little or no economic value, e.g. plants grown on contaminated land, food waste or demolition wood. In this study 10 marginal biomass-derived feedstocks were converted into 19 biochars at different highest treatment temperatures (HTT) using a continuous screw-pyrolysis unit. The aim was to investigate suitability of the resulting biochars for land application, judged on the basis of potentially toxic element (PTE) concentration, nutrient content and basic biochar properties (pH, EC, ash, fixed carbon). It was shown that under typical biochar production conditions the percentage content of several PTEs (As, Al, Zn) and nutrients (Ca, Mg) were reduced to some extent, but also that biochar can be contaminated by Cr and Ni during the pyrolysis process due to erosion of stainless steel reactor parts (average+82.8% Cr, +226.0% Ni). This can occur to such an extent that the resulting biochar is rendered unsuitable for soil application (maximum addition +22.5 mg Cr kg(-1) biochar and +44.4 mg Ni kg(-1) biochar). Biomass grown on land heavily contaminated with PTEs yielded biochars with PTE concentrations above recommended threshold values for soil amendments. Cd and Zn were of particular concern, exceeding the lowest threshold values by 31-fold and 7-fold respectively, despite some losses into the gas phase. However, thermal conversion of plants from less severely contaminated soils, demolition wood and food waste anaerobic digestate (AD) into biochar proved to be promising for land application. In particular, food waste AD biochar contained very high nutrient concentrations, making it interesting for use as fertiliser.

  5. Electric Fuel Rod Simulator Fabrication at ORNL

    Science.gov (United States)

    Ott, Larry J.; McCulloch, Reg

    2004-02-01

    Commercial vendors could not supply the high-quality, highly instrumented electric fuel rod simulators (FRS) required for large thermal-hydraulic safety-oriented experiments at the Oak Ridge National Laboratory (ORNL) in the 1970s and early 1980s. Staff at ORNL designed, developed, and manufactured the simulators utilized in these safety experiments. Important FRS design requirements include (1) materials of construction, (2) test power requirements and availability, (3) experimental test objectives, (4) supporting thermal analyses, and (5) extensive quality control throughout all phases of FRS fabrication. This paper will present an overview of these requirements (design, analytics, and quality control) as practiced at ORNL to produce a durable high-quality FRS.

  6. Computational simulation of liquid fuel rocket injectors

    Science.gov (United States)

    Landrum, D. Brian

    1994-01-01

    A major component of any liquid propellant rocket is the propellant injection system. Issues of interest include the degree of liquid vaporization and its impact on the combustion process, the pressure and temperature fields in the combustion chamber, and the cooling of the injector face and chamber walls. The Finite Difference Navier-Stokes (FDNS) code is a primary computational tool used in the MSFC Computational Fluid Dynamics Branch. The branch has dedicated a significant amount of resources to development of this code for prediction of both liquid and solid fuel rocket performance. The FDNS code is currently being upgraded to include the capability to model liquid/gas multi-phase flows for fuel injection simulation. An important aspect of this effort is benchmarking the code capabilities to predict existing experimental injection data. The objective of this MSFC/ASEE Summer Faculty Fellowship term was to evaluate the capabilities of the modified FDNS code to predict flow fields with liquid injection. Comparisons were made between code predictions and existing experimental data. A significant portion of the effort included a search for appropriate validation data. Also, code simulation deficiencies were identified.

  7. Suitability of marginal biomass-derived biochars for soil amendment

    Energy Technology Data Exchange (ETDEWEB)

    Buss, Wolfram [UK Biochar Research Centre, School of Geosciences, University of Edinburgh, Crew Building, Alexander Crum Brown Road, Edinburgh EH9 3FF (United Kingdom); Graham, Margaret C. [School of Geosciences, University of Edinburgh, Crew Building, Alexander Crum Brown Road, Edinburgh EH9 3FF (United Kingdom); Shepherd, Jessica G. [UK Biochar Research Centre, School of Geosciences, University of Edinburgh, Crew Building, Alexander Crum Brown Road, Edinburgh EH9 3FF (United Kingdom); School of Geosciences, University of Edinburgh, Crew Building, Alexander Crum Brown Road, Edinburgh EH9 3FF (United Kingdom); Mašek, Ondřej, E-mail: ondrej.masek@ed.ac.uk [UK Biochar Research Centre, School of Geosciences, University of Edinburgh, Crew Building, Alexander Crum Brown Road, Edinburgh EH9 3FF (United Kingdom)

    2016-03-15

    The term “marginal biomass” is used here to describe materials of little or no economic value, e.g. plants grown on contaminated land, food waste or demolition wood. In this study 10 marginal biomass-derived feedstocks were converted into 19 biochars at different highest treatment temperatures (HTT) using a continuous screw-pyrolysis unit. The aim was to investigate suitability of the resulting biochars for land application, judged on the basis of potentially toxic element (PTE) concentration, nutrient content and basic biochar properties (pH, EC, ash, fixed carbon). It was shown that under typical biochar production conditions the percentage content of several PTEs (As, Al, Zn) and nutrients (Ca, Mg) were reduced to some extent, but also that biochar can be contaminated by Cr and Ni during the pyrolysis process due to erosion of stainless steel reactor parts (average + 82.8% Cr, + 226.0% Ni). This can occur to such an extent that the resulting biochar is rendered unsuitable for soil application (maximum addition + 22.5 mg Cr kg{sup −1} biochar and + 44.4 mg Ni kg{sup −1} biochar). Biomass grown on land heavily contaminated with PTEs yielded biochars with PTE concentrations above recommended threshold values for soil amendments. Cd and Zn were of particular concern, exceeding the lowest threshold values by 31-fold and 7-fold respectively, despite some losses into the gas phase. However, thermal conversion of plants from less severely contaminated soils, demolition wood and food waste anaerobic digestate (AD) into biochar proved to be promising for land application. In particular, food waste AD biochar contained very high nutrient concentrations, making it interesting for use as fertiliser. - Highlights: • Marginal biomass feedstocks are materials of little economic value. • Biochar from biomass grown on PTE-rich soils tends to exceed guideline values. • Biochar from biomass with high mineral content can be a beneficial nutrient source. • Cr and Ni

  8. Heterogeneous photocatalytic nanomaterials: prospects and challenges in selective transformations of biomass-derived compounds.

    Science.gov (United States)

    Colmenares, Juan Carlos; Luque, Rafael

    2014-02-07

    Heterogeneous photocatalysis has become a comprehensively studied area of research during the past three decades due to its practical interest in applications including water-air depollution, cancer therapy, sterilization, artificial photosynthesis (CO2 photoreduction), anti-fogging surfaces, heat transfer and heat dissipation, anticorrosion, lithography, photochromism, solar chemicals production and many others. The utilization of solar irradiation to supply energy or to initiate chemical reactions is already an established idea. Excited electron-hole pairs are generated upon light irradiation of a wide-band gap semiconductor which can be applied to solar cells to generate electricity or in chemical processes to create/degrade specific compounds. While the field of heterogeneous photocatalysis for pollutant abatement and mineralisation of contaminants has been extensively investigated, a new research avenue related to the selective valorisation of residues has recently emerged as a promising alternative to utilise solar light for the production of valuable chemicals and fuels. This tutorial review will focus on the potential and applications of solid photonanocatalysts for the selective transformation of biomass-derived substrates.

  9. Simulation and Test of a Fuel Cell Hybrid Golf Cart

    Directory of Open Access Journals (Sweden)

    Jingming Liang

    2014-01-01

    Full Text Available This paper establishes the simulation model of fuel cell hybrid golf cart (FCHGC, which applies the non-GUI mode of the Advanced Vehicle Simulator (ADVISOR and the genetic algorithm (GA to optimize it. Simulation of the objective function is composed of fuel consumption and vehicle dynamic performance; the variables are the fuel cell stack power sizes and the battery numbers. By means of simulation, the optimal parameters of vehicle power unit, fuel cell stack, and battery pack are worked out. On this basis, GUI mode of ADVISOR is used to select the rated power of vehicle motor. In line with simulation parameters, an electrical golf cart is refitted by adding a 2 kW hydrogen air proton exchange membrane fuel cell (PEMFC stack system and test the FCHGC. The result shows that the simulation data is effective but it needs improving compared with that of the real cart test.

  10. TOTAL HYDROGENATION OF BIOMASS-DERIVED FURFURAL OVER RANEY NICKEL-CLAY NANOCOMPOSITE CATALYSTS

    National Research Council Canada - National Science Library

    Rodiansono Rodiansono; Takayoshi Hara; Shogo Shimazu

    2013-01-01

    Inexpensive Raney Ni-clay composite (R-Ni/clay) catalysts exhibited excellent activity and reusability in the total hydrogenation of biomass-derived furfural into tetrahydrofurfuryl alcohol under mild conditions...

  11. Development of dynamic simulation code for fuel cycle fusion reactor

    Energy Technology Data Exchange (ETDEWEB)

    Aoki, Isao; Seki, Yasushi [Department of Fusion Engineering Research, Naka Fusion Research Establishment, Japan Atomic Energy Research Institute, Naka, Ibaraki (Japan); Sasaki, Makoto; Shintani, Kiyonori; Kim, Yeong-Chan

    1999-02-01

    A dynamic simulation code for fuel cycle of a fusion experimental reactor has been developed. The code follows the fuel inventory change with time in the plasma chamber and the fuel cycle system during 2 days pulse operation cycles. The time dependence of the fuel inventory distribution is evaluated considering the fuel burn and exhaust in the plasma chamber, purification and supply functions. For each subsystem of the plasma chamber and the fuel cycle system, the fuel inventory equation is written based on the equation of state considering the fuel burn and the function of exhaust, purification, and supply. The processing constants of subsystem for steady states were taken from the values in the ITER Conceptual Design Activity (CDA) report. Using this code, the time dependence of the fuel supply and inventory depending on the burn state and subsystem processing functions are shown. (author)

  12. Software Requirements Specification Verifiable Fuel Cycle Simulation (VISION) Model

    Energy Technology Data Exchange (ETDEWEB)

    D. E. Shropshire; W. H. West

    2005-11-01

    The purpose of this Software Requirements Specification (SRS) is to define the top-level requirements for a Verifiable Fuel Cycle Simulation Model (VISION) of the Advanced Fuel Cycle (AFC). This simulation model is intended to serve a broad systems analysis and study tool applicable to work conducted as part of the AFCI (including costs estimates) and Generation IV reactor development studies.

  13. Radiation Effects Simulation of Fuel Assemblies

    Institute of Scientific and Technical Information of China (English)

    CUI; Yao

    2015-01-01

    Due to a large number of photons irradiated by the fuel assemblies after radiation in the reactor,the data acquisition and image reconstruction will be interfered seriously for the nuclear fuel assembly non-destructive testing system.Therefore,in process of the fuel assembly NDT system

  14. Post irradiation test report of irradiated DUPIC simulated fuel

    Energy Technology Data Exchange (ETDEWEB)

    Yang, Myung Seung; Jung, I. H.; Moon, J. S. and others

    2001-12-01

    The post-irradiation examination of irradiated DUPIC (Direct Use of Spent PWR Fuel in CANDU Reactors) simulated fuel in HANARO was performed at IMEF (Irradiated Material Examination Facility) in KAERI during 6 months from October 1999 to March 2000. The objectives of this post-irradiation test are i) the integrity of the capsule to be used for DUPIC fuel, ii) ensuring the irradiation requirements of DUPIC fuel at HANARO, iii) performance verification in-core behavior at HANARO of DUPIC simulated fuel, iv) establishing and improvement the data base for DUPIC fuel performance verification codes, and v) establishing the irradiation procedure in HANARO for DUPIC fuel. The post-irradiation examination performed are {gamma}-scanning, profilometry, density, hardness, observation the microstructure and fission product distribution by optical microscope and electron probe microanalyser (EPMA)

  15. Simulations of Failure via Three-Dimensional Cracking in Fuel Cladding for Advanced Nuclear Fuels

    Energy Technology Data Exchange (ETDEWEB)

    Lu, Hongbing [Univ. of Texas, Austin, TX (United States); Bukkapatnam, Satish; Harimkar, Sandip; Singh, Raman; Bardenhagen, Scott

    2014-01-09

    Enhancing performance of fuel cladding and duct alloys is a key means of increasing fuel burnup. This project will address the failure of fuel cladding via three-dimensional cracking models. Researchers will develop a simulation code for the failure of the fuel cladding and validate the code through experiments. The objective is to develop an algorithm to determine the failure of fuel cladding in the form of three-dimensional cracking due to prolonged exposure under varying conditions of pressure, temperature, chemical environment, and irradiation. This project encompasses the following tasks: 1. Simulate 3D crack initiation and growth under instantaneous and/or fatigue loads using a new variant of the material point method (MPM); 2. Simulate debonding of the materials in the crack path using cohesive elements, considering normal and shear traction separation laws; 3. Determine the crack propagation path, considering damage of the materials incorporated in the cohesive elements to allow the energy release rate to be minimized; 4. Simulate the three-dimensional fatigue crack growth as a function of loading histories; 5. Verify the simulation code by comparing results to theoretical and numerical studies available in the literature; 6. Conduct experiments to observe the crack path and surface profile in unused fuel cladding and validate against simulation results; and 7. Expand the adaptive mesh refinement infrastructure parallel processing environment to allow adaptive mesh refinement at the 3D crack fronts and adaptive mesh merging in the wake of cracks. Fuel cladding is made of materials such as stainless steels and ferritic steels with added alloying elements, which increase stability and durability under irradiation. As fuel cladding is subjected to water, chemicals, fission gas, pressure, high temperatures, and irradiation while in service, understanding performance is essential. In the fast fuel used in advanced burner reactors, simulations of the nuclear

  16. Valorization of biomass: deriving more value from waste.

    Science.gov (United States)

    Tuck, Christopher O; Pérez, Eduardo; Horváth, István T; Sheldon, Roger A; Poliakoff, Martyn

    2012-08-10

    Most of the carbon-based compounds currently manufactured by the chemical industry are derived from petroleum. The rising cost and dwindling supply of oil have been focusing attention on possible routes to making chemicals, fuels, and solvents from biomass instead. In this context, many recent studies have assessed the relative merits of applying different dedicated crops to chemical production. Here, we highlight the opportunities for diverting existing residual biomass--the by-products of present agricultural and food-processing streams--to this end.

  17. Fuel management simulation for CANFLEX-RU in CANDU 6

    Energy Technology Data Exchange (ETDEWEB)

    Jeong, Chang Joon; Suk, Ho Chun [Korea Atomic Energy Research Institute, Taejon (Korea, Republic of)

    1997-12-31

    Fuel management simulations have been performed for CANFLEX-09% RU fuel in the CANDU 6 reactor. In this study, the bi-directional 4-bundle shift fuelling scheme was assumed. The lattice cell and time-average calculation were carried out. The refuelling simulation calculations were performed for 600 full power days. Time-averaged results show good axial power profile with the CANFLEX-RU fuel. During the simulation period, the maximum channel and bundle power were maintained below the licensing limit of CANDU 6 reactor. 7 refs., 4 figs. (Author)

  18. Simulation and Analysis of Crashworthiness of Fuel Tank for Helicopters

    Institute of Scientific and Technical Information of China (English)

    2007-01-01

    Crashworthiness requirement of fuel tanks is one of the important requirements in helicopter designs. The relations among the protection frame, textile layer and rubber layer of the fuel tank are introduced. Two appropriate FE models are established, one is for an uncovered helicopter fuel tank without protection frame, and the other is for fuel tank with protection frame. The dynamic responses of the two types of fuel tanks impinging on the ground with velocities of 17.3 m/s are numerically simulated for the purpose of analyzing energy-absorbing capabilities of the textile layer and protection frame. The feasibility of the current crashworthiness design of the fuel tank is examined though comparing the dynamic response behaviors of the two fuel tanks.

  19. Processes for washing a spent ion exchange bed and for treating biomass-derived pyrolysis oil, and apparatuses for treating biomass-derived pyrolysis oil

    Science.gov (United States)

    Baird, Lance Awender; Brandvold, Timothy A.

    2015-11-24

    Processes and apparatuses for washing a spent ion exchange bed and for treating biomass-derived pyrolysis oil are provided herein. An exemplary process for washing a spent ion exchange bed employed in purification of biomass-derived pyrolysis oil includes the step of providing a ion-depleted pyrolysis oil stream having an original oxygen content. The ion-depleted pyrolysis oil stream is partially hydrotreated to reduce the oxygen content thereof, thereby producing a partially hydrotreated pyrolysis oil stream having a residual oxygen content that is less than the original oxygen content. At least a portion of the partially hydrotreated pyrolysis oil stream is passed through the spent ion exchange bed. Water is passed through the spent ion exchange bed after passing at least the portion of the partially hydrotreated pyrolysis oil stream therethrough.

  20. Status of Biomass Derived Carbon Materials for Supercapacitor Application

    Directory of Open Access Journals (Sweden)

    Talam Kibona Enock

    2017-01-01

    Full Text Available Environmental concerns and energy security uncertainties associated with fossil fuels have driven the world to shift to renewable energy sources. However, most renewable energy sources with exception of hydropower are intermittent in nature and thus need storage systems. Amongst various storage systems, supercapacitors are the promising candidates for energy storage not only in renewable energies but also in hybrid vehicles and portable devices due to their high power density. Supercapacitor electrodes are almost invariably made of carbon derived from biomass. Several reviews had been focused on general carbon materials for supercapacitor electrode. This review is focused on understanding the extent to which different types of biomasses have been used as porous carbon materials for supercapacitor electrodes. It also details hydrothermal microwave assisted, ionothermal, and molten salts carbonization as techniques of synthesizing activated carbon from biomasses as well as their characteristics and their impacts on electrochemical performance.

  1. A transient model to simulate HTPEM fuel cell impedance spectra

    DEFF Research Database (Denmark)

    Vang, Jakob Rabjerg; Andreasen, Søren Juhl; Kær, Søren Knudsen

    2012-01-01

    This paper presents a spatially resolved transient fuel cell model applied to the simulation of high temperature PEM fuel cell impedance spectra. The model is developed using a 2D finite volume method approach. The model is resolved along the channel and across the membrane. The model considers...

  2. Atomic scale simulations for improved CRUD and fuel performance modeling

    Energy Technology Data Exchange (ETDEWEB)

    Andersson, Anders David Ragnar [Los Alamos National Lab. (LANL), Los Alamos, NM (United States); Cooper, Michael William Donald [Los Alamos National Lab. (LANL), Los Alamos, NM (United States)

    2017-01-06

    A more mechanistic description of fuel performance codes can be achieved by deriving models and parameters from atomistic scale simulations rather than fitting models empirically to experimental data. The same argument applies to modeling deposition of corrosion products on fuel rods (CRUD). Here are some results from publications in 2016 carried out using the CASL allocation at LANL.

  3. Cascade Synthesis of Five-Membered Lactones using Biomass-Derived Sugars as Carbon Nucleophiles.

    Science.gov (United States)

    Yamaguchi, Sho; Matsuo, Takeaki; Motokura, Ken; Miyaji, Akimitsu; Baba, Toshihide

    2016-06-06

    We report the cascade synthesis of five-membered lactones from a biomass-derived triose sugar, 1,3-dihydroxyacetone, and various aldehydes. This achievement provides a new synthetic strategy to generate a wide range of valuable compounds from a single biomass-derived sugar. Among several examined Lewis acid catalysts, homogeneous tin chloride catalysts exhibited the best performance to form carbon-carbon bonds. The scope and limitations of the synthesis of five-membered lactones using aldehyde compounds are investigated. The cascade reaction led to high product selectivity as well as diastereoselectivity, and the mechanism leading to the diastereoselectivity was discussed based on isomerization experiments and density functional theory (DFT) calculations. The present results are expected to support new approaches for the efficient utilization of biomass-derived sugars.

  4. A transient fuel cell model to simulate HTPEM fuel cell impedance spectra

    DEFF Research Database (Denmark)

    Vang, Jakob Rabjerg; Andreasen, Søren Juhl; Kær, Søren Knudsen

    2011-01-01

    This paper presents a spatially resolved transient fuel cell model applied to the simulation of high temperature PEM fuel cell impedance spectra. The model is developed using a 2D finite volume method approach. The model is resolved along the channel and across the membrane. The model considers d...

  5. Low oxygen biomass-derived pyrolysis oils and methods for producing the same

    Science.gov (United States)

    Marinangeli, Richard; Brandvold, Timothy A; Kocal, Joseph A

    2013-08-27

    Low oxygen biomass-derived pyrolysis oils and methods for producing them from carbonaceous biomass feedstock are provided. The carbonaceous biomass feedstock is pyrolyzed in the presence of a catalyst comprising base metal-based catalysts, noble metal-based catalysts, treated zeolitic catalysts, or combinations thereof to produce pyrolysis gases. During pyrolysis, the catalyst catalyzes a deoxygenation reaction whereby at least a portion of the oxygenated hydrocarbons in the pyrolysis gases are converted into hydrocarbons. The oxygen is removed as carbon oxides and water. A condensable portion (the vapors) of the pyrolysis gases is condensed to low oxygen biomass-derived pyrolysis oil.

  6. Metallic Fuel Casting Development and Parameter Optimization Simulations

    Energy Technology Data Exchange (ETDEWEB)

    R.S. Fielding; J. Crapps; C. Unal; J.R. Kennedy

    2013-03-01

    One of the advantages of metallic fuel is the abilility to cast the fuel slugs to near net shape with little additional processing. However, the high aspect ratio of the fuel is not ideal for casting. EBR-II fuel was cast using counter gravity injection casting (CGIC) but, concerns have been raised concerning the feasibility of this process for americium bearing alloys. The Fuel Cycle Research and Development program has begun developing gravity casting techniques suitable for fuel production. Compared to CGIC gravity casting does not require a large heel that then is recycled, does not require application of a vacuum during melting, and is conducive to re-usable molds. Development has included fabrication of two separate benchscale, approximately 300 grams, systems. To shorten development time computer simulations have been used to ensure mold and crucible designs are feasible and to identify which fluid properties most affect casting behavior and therefore require more characterization.

  7. Dynamic simulation of a direct carbonate fuel cell power plant

    Energy Technology Data Exchange (ETDEWEB)

    Ernest, J.B. [Fluor Daniel, Inc., Irvine, CA (United States); Ghezel-Ayagh, H.; Kush, A.K. [Fuel Cell Engineering, Danbury, CT (United States)

    1996-12-31

    Fuel Cell Engineering Corporation (FCE) is commercializing a 2.85 MW Direct carbonate Fuel Cell (DFC) power plant. The commercialization sequence has already progressed through construction and operation of the first commercial-scale DFC power plant on a U.S. electric utility, the 2 MW Santa Clara Demonstration Project (SCDP), and the completion of the early phases of a Commercial Plant design. A 400 kW fuel cell stack Test Facility is being built at Energy Research Corporation (ERC), FCE`s parent company, which will be capable of testing commercial-sized fuel cell stacks in an integrated plant configuration. Fluor Daniel, Inc. provided engineering, procurement, and construction services for SCDP and has jointly developed the Commercial Plant design with FCE, focusing on the balance-of-plant (BOP) equipment outside of the fuel cell modules. This paper provides a brief orientation to the dynamic simulation of a fuel cell power plant and the benefits offered.

  8. Development of dynamic simulation code for fuel cycle of fusion reactor. 1. Single pulse operation simulation

    Energy Technology Data Exchange (ETDEWEB)

    Aoki, Isao; Seki, Yasushi [Japan Atomic Energy Research Inst., Naka, Ibaraki (Japan). Naka Fusion Research Establishment; Sasaki, Makoto; Shintani, Kiyonori; Kim, Yeong-Chan

    1997-11-01

    A dynamic simulation code for the fuel cycle of a fusion experimental reactor has been developed. The code follows the fuel inventory change with time in the plasma chamber and the fuel cycle system during a single pulse operation. The time dependence of the fuel inventory distribution is evaluated considering the fuel burn and exhaust in the plasma chamber, purification and supply functions. For each subsystem of the plasma chamber and the fuel cycle system, the fuel inventory equation is written based on the equation of state considering the function of fuel burn, exhaust, purification, and supply. The processing constants of subsystem for the steady states were taken from the values in the ITER Conceptual Design Activity (CDA) report. Using the code, the time dependence of the fuel supply and inventory depending on the burn state and subsystem processing functions are shown. (author)

  9. Efficient hydrogenation of biomass-derived cyclic di-esters to 1,2-diols.

    Science.gov (United States)

    Balaraman, Ekambaram; Fogler, Eran; Milstein, David

    2012-01-28

    The unprecedented homogeneous hydrogenation of cyclic di-esters, in particular biomass-derived glycolide and lactide, to the corresponding 1,2-diols is catalyzed by Ru(II) PNN (1) and Ru(II) CNN (2) pincer complexes under mild hydrogen pressure and (in the case of 1) neutral conditions. No racemization was observed when a chiral di-ester was used.

  10. Biofuel and Methyl Levulinate from Biomass-Derived Fractional Condensed Pyrolysis Oil and Alcohol

    NARCIS (Netherlands)

    Westerhof, Roel J.M.; Oudenhoven, Stijn R.G.; Hu, Xun; Heeres, Hero J.; Li, Chun-Zhu; Garcia-Perez, Manuel; Kersten, Sascha R.A.

    2017-01-01

    The aim of this research was to evaluate the potential for the stabilization of biomass-derived pyrolysis oils by using acid-catalyzed (Amberlyst 70) reactions with alcohol (T=140–170 °C, P≈20 bar (1 bar=105 Pa)). The alcohol-stabilized oils were further upgraded by catalytic hydrotreatment (T=400

  11. Synthesis of the insecticide prothrin and its analogues from biomass-derived 5-(chloromethyl)furfural.

    Science.gov (United States)

    Chang, Fei; Dutta, Saikat; Becnel, James J; Estep, Alden S; Mascal, Mark

    2014-01-15

    Prothrin, a synthetic pyrethroid insecticide, was synthesized from the biomass-derived platform chemical 5-(chloromethyl)furfural in six steps and overall 65% yield. Two structural analogues of prothrin were also prepared following the same synthetic approach. Preliminary testing of these furan-based pyrethroids against the yellow fever mosquito Aedes aegypti indicates promising insecticidal activities.

  12. Fuel Accident Condition Simulator (FACS) Furnace for Post-Irradiation Heating Tests of VHTR Fuel Compacts

    Energy Technology Data Exchange (ETDEWEB)

    Paul A Demkowicz; Paul Demkowicz; David V Laug

    2010-10-01

    Abstract –Fuel irradiation testing and post-irradiation examination are currently in progress as part of the Next Generation Nuclear Plant Fuels Development and Qualification Program. The PIE campaign will include extensive accident testing of irradiated very high temperature reactor fuel compacts to verify fission product retention characteristics at high temperatures. This work will be carried out at both the Idaho National Laboratory (INL) and the Oak Ridge National Laboratory, beginning with accident tests on irradiated fuel from the AGR-1 experiment in 2010. A new furnace system has been designed, built, and tested at INL to perform high temperature accident tests. The Fuel Accident Condition Simulator furnace system is designed to heat fuel specimens at temperatures up to 2000°C in helium while monitoring the release of volatile fission metals (e.g. Cs, Ag, Sr, Eu, and I) and fission gases (Kr, Xe). Fission gases released from the fuel to the sweep gas are monitored in real time using dual cryogenic traps fitted with high purity germanium detectors. Condensable fission products are collected on a plate attached to a water-cooled cold finger that can be exchanged periodically without interrupting the test. Analysis of fission products on the condensation plates involves dry gamma counting followed by chemical analysis of selected isotopes. This paper will describe design and operational details of the Fuel Accident Condition Simulator (FACS) furnace system, as well as preliminary system calibration results.

  13. Simulating Impacts of Disruptions to Liquid Fuels Infrastructure

    Energy Technology Data Exchange (ETDEWEB)

    Wilson, Michael [Sandia National Lab. (SNL-NM), Albuquerque, NM (United States). Resilience and Regulatory Effects; Corbet, Thomas F. [Sandia National Lab. (SNL-NM), Albuquerque, NM (United States). Policy and Decision Analytics; Baker, Arnold B. [ABB Consulting, Albuquerque, NM (United States); O' Rourke, Julia M. [Univ. of Texas, Austin, TX (United States). Dept. of Mechanical Engineering

    2015-04-01

    This report presents a methodology for estimating the impacts of events that damage or disrupt liquid fuels infrastructure. The impact of a disruption depends on which components of the infrastructure are damaged, the time required for repairs, and the position of the disrupted components in the fuels supply network. Impacts are estimated for seven stressing events in regions of the United States, which were selected to represent a range of disruption types. For most of these events the analysis is carried out using the National Transportation Fuels Model (NTFM) to simulate the system-level liquid fuels sector response. Results are presented for each event, and a brief cross comparison of event simulation results is provided.

  14. From fuel cells to batteries: Synergies, scales and simulation methods

    OpenAIRE

    Bessler, Wolfgang G.

    2011-01-01

    The recent years have shown a dynamic growth of battery research and development activities both in academia and industry, supported by large governmental funding initiatives throughout the world. A particular focus is being put on lithium-based battery technologies. This situation provides a stimulating environment for the fuel cell modeling community, as there are considerable synergies in the modeling and simulation methods for fuel cells and batteries. At the same time, batter...

  15. A MULTIDIMENSIONAL AND MULTIPHYSICS APPROACH TO NUCLEAR FUEL BEHAVIOR SIMULATION

    Energy Technology Data Exchange (ETDEWEB)

    R. L. Williamson; J. D. Hales; S. R. Novascone; M. R. Tonks; D. R. Gaston; C. J. Permann; D. Andrs; R. C. Martineau

    2012-04-01

    Important aspects of fuel rod behavior, for example pellet-clad mechanical interaction (PCMI), fuel fracture, oxide formation, non-axisymmetric cooling, and response to fuel manufacturing defects, are inherently multidimensional in addition to being complicated multiphysics problems. Many current modeling tools are strictly 2D axisymmetric or even 1.5D. This paper outlines the capabilities of a new fuel modeling tool able to analyze either 2D axisymmetric or fully 3D models. These capabilities include temperature-dependent thermal conductivity of fuel; swelling and densification; fuel creep; pellet fracture; fission gas release; cladding creep; irradiation growth; and gap mechanics (contact and gap heat transfer). The need for multiphysics, multidimensional modeling is then demonstrated through a discussion of results for a set of example problems. The first, a 10-pellet rodlet, demonstrates the viability of the solution method employed. This example highlights the effect of our smeared cracking model and also shows the multidimensional nature of discrete fuel pellet modeling. The second example relies on our the multidimensional, multiphysics approach to analyze a missing pellet surface problem. As a final example, we show a lower-length-scale simulation coupled to a continuum-scale simulation.

  16. PEM fuel cell modeling and simulation using Matlab

    CERN Document Server

    Spiegel, Colleen

    2011-01-01

    Although, the basic concept of a fuel cell is quite simple, creating new designs and optimizing their performance takes serious work and a mastery of several technical areas. PEM Fuel Cell Modeling and Simulation Using Matlab, provides design engineers and researchers with a valuable tool for understanding and overcoming barriers to designing and building the next generation of PEM Fuel Cells. With this book, engineers can test components and verify designs in the development phase, saving both time and money.Easy to read and understand, this book provides design and modelling tips for

  17. Software Platform Evaluation - Verifiable Fuel Cycle Simulation (VISION) Model

    Energy Technology Data Exchange (ETDEWEB)

    J. J. Jacobson; D. E. Shropshire; W. B. West

    2005-11-01

    The purpose of this Software Platform Evaluation (SPE) is to document the top-level evaluation of potential software platforms on which to construct a simulation model that satisfies the requirements for a Verifiable Fuel Cycle Simulation Model (VISION) of the Advanced Fuel Cycle (AFC). See the Software Requirements Specification for Verifiable Fuel Cycle Simulation (VISION) Model (INEEL/EXT-05-02643, Rev. 0) for a discussion of the objective and scope of the VISION model. VISION is intended to serve as a broad systems analysis and study tool applicable to work conducted as part of the AFCI (including costs estimates) and Generation IV reactor development studies. This document will serve as a guide for selecting the most appropriate software platform for VISION. This is a “living document” that will be modified over the course of the execution of this work.

  18. Alternative Liquid Fuels Simulation Model (AltSim).

    Energy Technology Data Exchange (ETDEWEB)

    Baker, Arnold Barry; Williams, Ryan (Hobart and William Smith Colleges, Geneva, NY); Drennen, Thomas E.; Klotz, Richard (Hobart and William Smith Colleges, Geneva, NY)

    2007-10-01

    The Alternative Liquid Fuels Simulation Model (AltSim) is a high-level dynamic simulation model which calculates and compares the production costs, carbon dioxide emissions, and energy balances of several alternative liquid transportation fuels. These fuels include: corn ethanol, cellulosic ethanol, biodiesel, and diesels derived from natural gas (gas to liquid, or GTL) and coal (coal to liquid, or CTL). AltSim allows for comprehensive sensitivity analyses on capital costs, operation and maintenance costs, renewable and fossil fuel feedstock costs, feedstock conversion efficiency, financial assumptions, tax credits, CO{sub 2} taxes, and plant capacity factor. This paper summarizes the preliminary results from the model. For the base cases, CTL and cellulosic ethanol are the least cost fuel options, at $1.60 and $1.71 per gallon, respectively. Base case assumptions do not include tax or other credits. This compares to a $2.35/gallon production cost of gasoline at September, 2007 crude oil prices ($80.57/barrel). On an energy content basis, the CTL is the low cost alternative, at $12.90/MMBtu, compared to $22.47/MMBtu for cellulosic ethanol. In terms of carbon dioxide emissions, a typical vehicle fueled with cellulosic ethanol will release 0.48 tons CO{sub 2} per year, compared to 13.23 tons per year for coal to liquid.

  19. Simulated Fission Gas Behavior in Silicide Fuel at LWR Conditions

    Energy Technology Data Exchange (ETDEWEB)

    Miao, Yinbin [Argonne National Lab. (ANL), Argonne, IL (United States); Mo, Kun [Argonne National Lab. (ANL), Argonne, IL (United States); Yacout, Abdellatif [Argonne National Lab. (ANL), Argonne, IL (United States); Harp, Jason [Argonne National Lab. (ANL), Argonne, IL (United States)

    2016-09-15

    As a promising candidate for the accident tolerant fuel (ATF) used in light water reactors (LWRs), the fuel performance of uranium silicide (U3Si2) at LWR conditions needs to be well-understood. However, existing experimental post-irradiation examination (PIE) data are limited to the research reactor conditions, which involve lower fuel temperature compared to LWR conditions. This lack of appropriate experimental data significantly affects the development of fuel performance codes that can precisely predict the microstructure evolution and property degradation at LWR conditions, and therefore evaluate the qualification of U3Si2 as an AFT for LWRs. Considering the high cost, long timescale, and restrictive access of the in-pile irradiation experiments, this study aims to utilize ion irradiation to simulate the inpile behavior of the U3Si2 fuel. Both in situ TEM ion irradiation and ex situ high-energy ATLAS ion irradiation experiments were employed to simulate different types of microstructure modifications in U3Si2. Multiple PIE techniques were used or will be used to quantitatively analyze the microstructure evolution induced by ion irradiation so as to provide valuable reference for the development of fuel performance code prior to the availability of the in-pile irradiation data.

  20. Simulated Fission Gas Behavior in Silicide Fuel at LWR Conditions

    Energy Technology Data Exchange (ETDEWEB)

    Miao, Yinbin [Argonne National Lab. (ANL), Argonne, IL (United States); Mo, Kun [Argonne National Lab. (ANL), Argonne, IL (United States); Yacout, Abdellatif [Argonne National Lab. (ANL), Argonne, IL (United States); Harp, Jason [Argonne National Lab. (ANL), Argonne, IL (United States)

    2016-09-15

    As a promising candidate for the accident tolerant fuel (ATF) used in light water reactors (LWRs), the fuel performance of uranium silicide (U3Si2) at LWR conditions need to be well-understood. However, existing experimental post-irradiation examination (PIE) data are limited to the research reactor conditions, which involve lower fuel temperature compared to LWR conditions. This lack of appropriate experimental data significantly affects the development of fuel performance codes that can precisely predict the microstructure evolution and property degradation at LWR conditions and therefore evaluate the qualification of U3Si2 as an AFT for LWRs. Considering the high cost, long timescale, and restrictive access of the in-pile irradiation experiments, this study aims to utilize ion irradiation to simulate the inpile behavior of the U3Si2 fuel. Both in situ TEM ion irradiation and ex situ high-energy ATLAS ion irradiation experiments were employed to simulate different types of microstructure modifications in U3Si2. Multiple PIE techniques were used or will be used to quantitatively analyze the microstructure evolution induced by ion irradiation so as to provide valuable reference for the development of fuel performance code prior to the availability of the in-pile irradiation data.

  1. Biomass derived solvents for the scalable production of single layered graphene from graphite.

    Science.gov (United States)

    Sharma, Mukesh; Mondal, Dibyendu; Singh, Nripat; Prasad, Kamalesh

    2016-07-12

    Among four different biomass derived green and sustainable solvents namely levulinic acid (LA), ethyl lactate (EL), γ-valerolactone (GVL) and formic acid (FA) only LA was found to exfoliate graphite to single and few layered graphene sheets. During exfoliation, the formation of LA crystals embedded with single layered graphene sheets was observed. The process is scalable and the solvent can be recovered and reused in five subsequent cycles of exfoliation for the large scale production of graphene sheets.

  2. Modeling and Simulation of a Nuclear Fuel Element Test Section

    Science.gov (United States)

    Moran, Robert P.; Emrich, William

    2011-01-01

    "The Nuclear Thermal Rocket Element Environmental Simulator" test section closely simulates the internal operating conditions of a thermal nuclear rocket. The purpose of testing is to determine the ideal fuel rod characteristics for optimum thermal heat transfer to their hydrogen cooling/working fluid while still maintaining fuel rod structural integrity. Working fluid exhaust temperatures of up to 5,000 degrees Fahrenheit can be encountered. The exhaust gas is rendered inert and massively reduced in temperature for analysis using a combination of water cooling channels and cool N2 gas injectors in the H2-N2 mixer portion of the test section. An extensive thermal fluid analysis was performed in support of the engineering design of the H2-N2 mixer in order to determine the maximum "mass flow rate"-"operating temperature" curve of the fuel elements hydrogen exhaust gas based on the test facilities available cooling N2 mass flow rate as the limiting factor.

  3. Heavy truck modeling for fuel consumption. Simulations and measurements

    Energy Technology Data Exchange (ETDEWEB)

    Sandberg, T.

    2001-12-01

    Fuel consumption for heavy trucks depends on many factors like roads, weather, and driver behavior that are hard for a manufacturer to influence. However, one design possibility is the power train configuration. Here a new simulation program for heavy trucks is created to find the configuration of the power train that gives the lowest fuel consumption for each transport task. For efficient simulations the model uses production code for speed and gear control, and it uses exchangeable data sets to allow simulation of the whole production range of engine types, on recorded road profiles from all over the world. Combined with a graphical user interface this application is called STARS (Scania Truck And Road Simulation). The forces of rolling resistance and air resistance in the model are validated through an experiment where the propeller shaft torque of a heavy truck is measured. It is found that the coefficient of rolling resistance is strongly dependent on tire temperature, not only on vehicle speed as expected. This led to the development of a new model for rolling resistance. The model includes the dynamic behavior of the tires and relates rolling resistance to tire temperature and vehicle speed. In another experiment the fuel consumption of a test truck in highway driving is measured. The altitude of the road is recorded with a barometer and used in the corresponding simulations. Despite of the limited accuracy of this equipment the simulation program manage to predict a level of fuel consumption only 2% lower than the real measurements. It is concluded that STARS is a good tool for predicting fuel consumption for trucks in highway driving and for comparing different power train configurations.

  4. Heavy truck modeling for fuel consumption. Simulations and measurements

    Energy Technology Data Exchange (ETDEWEB)

    Sandberg, T.

    2001-12-01

    Fuel consumption for heavy trucks depends on many factors like roads, weather, and driver behavior that are hard for a manufacturer to influence. However, one design possibility is the power train configuration. Here a new simulation program for heavy trucks is created to find the configuration of the power train that gives the lowest fuel consumption for each transport task. For efficient simulations the model uses production code for speed and gear control, and it uses exchangeable data sets to allow simulation of the whole production range of engine types, on recorded road profiles from all over the world. Combined with a graphical user interface this application is called STARS (Scania Truck And Road Simulation). The forces of rolling resistance and air resistance in the model are validated through an experiment where the propeller shaft torque of a heavy truck is measured. It is found that the coefficient of rolling resistance is strongly dependent on tire temperature, not only on vehicle speed as expected. This led to the development of a new model for rolling resistance. The model includes the dynamic behavior of the tires and relates rolling resistance to tire temperature and vehicle speed. In another experiment the fuel consumption of a test truck in highway driving is measured. The altitude of the road is recorded with a barometer and used in the corresponding simulations. Despite of the limited accuracy of this equipment the simulation program manage to predict a level of fuel consumption only 2% lower than the real measurements. It is concluded that STARS is a good tool for predicting fuel consumption for trucks in highway driving and for comparing different power train configurations.

  5. VISION User Guide - VISION (Verifiable Fuel Cycle Simulation) Model

    Energy Technology Data Exchange (ETDEWEB)

    Jacob J. Jacobson; Robert F. Jeffers; Gretchen E. Matthern; Steven J. Piet; Benjamin A. Baker; Joseph Grimm

    2009-08-01

    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; 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 for U.S. nuclear power. The model is not intended as a 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 of 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. Note that recovered uranium is itself often partitioned: some RU flows with recycled transuranic elements, some flows with wastes, and the rest is designated RU. RU comes out of storage if needed to correct the U/TRU ratio in new recycled fuel. Neither RU nor DU are designated as wastes. VISION is comprised of several

  6. Energy Characterization and Gasification of Biomass Derived by Hazelnut Cultivation: Analysis of Produced Syngas by Gas Chromatography

    Directory of Open Access Journals (Sweden)

    D. Monarca

    2012-01-01

    Full Text Available Modern agriculture is an extremely energy intensive process. However, high agricultural productivities and the growth of green revolution has been possible only by large amount of energy inputs, especially those coming from fossil fuels. These energy resources have not been able to provide an economically viable solution for agricultural applications. Biomass energy-based systems had been extensively used for transportation and on farm systems during World War II: the most common and reliable solution was wood or biomass gasification. The latter means incomplete combustion of biomass resulting in production of combustible gases which mostly consist of carbon monoxide (CO, hydrogen (H2 and traces of methane (CH4. This mixture is called syngas, which can be successfully used to run internal combustion engines (both compression and spark ignition or as substitute for furnace oil in direct heat applications. The aim of the present paper is to help the experimentation of innovative plants for electric power production using agro-forest biomass derived by hazelnut cultivations. An additional purpose is to point out a connection among the chemical and physical properties of the outgoing syngas by biomass characterization and gas-chromatography analysis.

  7. Used nuclear fuel separations process simulation and testing

    Energy Technology Data Exchange (ETDEWEB)

    Pereira, C.; Krebs, J.F.; Copple, J.M.; Frey, K.E.; Maggos, L.E.; Figueroa, J.; Willit, J.L.; Papadias, D.D. [Argonne National Laboratory: 9700 South Cass Avenue, Argonne, IL 60439 (United States)

    2013-07-01

    Recent efforts in separations process simulation at Argonne have expanded from the traditional focus on solvent extraction flowsheet design in order to capture process dynamics and to simulate other components, processing and systems of a used nuclear fuel reprocessing plant. For example, the Argonne Model for Universal Solvent Extraction (AMUSE) code has been enhanced to make it both more portable and more readily extensible. Moving away from a spreadsheet environment makes the addition of new species and processes simpler for the expert user, which should enable more rapid implementation of chemical models that simulate evolving processes. The dyAMUSE (dynamic AMUSE) version allows the simulation of transient behavior across an extractor. Electrochemical separations have now been modeled using spreadsheet codes that simulate the electrochemical recycle of fast reactor fuel. The user can follow the evolution of the salt, products, and waste compositions in the electro-refiner, cathode processors, and drawdown as a function of fuel batches treated. To further expand capabilities in integrating multiple unit operations, a platform for linking mathematical models representing the different operations that comprise a reprocessing facility was adapted to enable systems-level analysis and optimization of facility functions. (authors)

  8. Multidimensional simulations of hydrides during fuel rod lifecycle

    Science.gov (United States)

    Stafford, D. S.

    2015-11-01

    In light water reactor fuel rods, waterside corrosion of zirconium-alloy cladding introduces hydrogen into the cladding, where it is slightly soluble. When the solubility limit is reached, the hydrogen precipitates into crystals of zirconium hydride which decrease the ductility of the cladding and may lead to cladding failure during dry storage or transportation events. The distribution of the hydride phase and the orientation of the crystals depend on the history of the spatial temperature and stress profiles in the cladding. In this work, we have expanded the existing hydride modeling capability in the BISON fuel performance code with the goal of predicting both global and local effects on the radial, azimuthal and axial distribution of the hydride phase. We compare results from 1D simulations to published experimental data. We demonstrate the new capability by simulating in 2D a fuel rod throughout a lifecycle that includes irradiation, short-term storage in the spent fuel pool, drying, and interim storage in a dry cask. Using the 2D simulations, we present qualitative predictions of the effects of the inter-pellet gap and the drying conditions on the growth of a hydride rim.

  9. Microwave Processing of Simulated Advanced Nuclear Fuel Pellets

    Energy Technology Data Exchange (ETDEWEB)

    D.E. Clark; D.C. Folz

    2010-08-29

    Throughout the three-year project funded by the Department of Energy (DOE) and lead by Virginia Tech (VT), project tasks were modified by consensus to fit the changing needs of the DOE with respect to developing new inert matrix fuel processing techniques. The focus throughout the project was on the use of microwave energy to sinter fully stabilized zirconia pellets using microwave energy and to evaluate the effectiveness of techniques that were developed. Additionally, the research team was to propose fundamental concepts as to processing radioactive fuels based on the effectiveness of the microwave process in sintering the simulated matrix material.

  10. Models and simulations of nuclear fuel materials properties

    Energy Technology Data Exchange (ETDEWEB)

    Stan, M. [Los Alamos National Laboratory, PO Box 1663, Los Alamos, NM 87545 (United States)], E-mail: mastan@lanl.gov; Ramirez, J.C. [Los Alamos National Laboratory, PO Box 1663, Los Alamos, NM 87545 (United States); Cristea, P. [University of Bucharest, Faculty of Physics, Bucuresti-Magurele (Romania); Hu, S.Y.; Deo, C.; Uberuaga, B.P.; Srivilliputhur, S.; Rudin, S.P.; Wills, J.M. [Los Alamos National Laboratory, PO Box 1663, Los Alamos, NM 87545 (United States)

    2007-10-11

    To address the complexity of the phenomena that occur in a nuclear fuel element, a multi-scale method was developed. The method incorporates theory-based atomistic and continuum models into finite element simulations to predict heat transport phenomena. By relating micro and nano-scale models to the macroscopic equilibrium and non-equilibrium simulations, the predictive character of the method is improved. The multi-scale approach was applied to calculations of point defect concentration, helium bubbles formation, oxygen diffusivity, and simulations of heat and mass transport in UO{sub 2+x}.

  11. Perodua Myvi engine fuel consumption map and fuel economy vehicle simulation on the drive cycles based on Malaysian roads

    Directory of Open Access Journals (Sweden)

    Ramdan Muhammad Iftishah

    2017-01-01

    Full Text Available This paper presents the fuel consumption engine map for a 1.3L Perodua Myvi passenger car. The engine dynamometer and the engine throttle are controlled, to create the operating conditions for the engine map. Interpolation work is done in MATLAB, to create a 3D fuel consumption engine map. The engine map is used in a fuel-economy estimation simulation, using the city and the highway drive cycles based on Malaysian roads. The fuel economy values generated from the simulations are similar to experimental fuel consumption results.

  12. Simulation of Gravity Feed Oil for Areoplane Fuel Transfer System

    Science.gov (United States)

    Lv, Y. G.; Liu, Z. X.; Huang, S. Q.; Xu, T.

    Generally, it has two different ways for fuel transfer for areoplane, the simplest one is by gravity, and another is by pumps. But the simplest one mighte change to the vital method in some situation, such as electrical and mechanical accident. So the study of gravity feed oil is aslo important. Past calculations assumed that, under gravity feed, only one fuel tank in aircraft supplies the fuel needed for preventing extremely serious accident to happen. Actually, gravity feed oil is a transient process, all fuel tanks compete for supplying oil and there must have several fuel tanks offering oil simultaneously. The key problems to calculate gravity feed oil are the sumulation of the multiple-branch and transient process. Firstly, we presented mathematical models for oil flow through pipes, non-working pupms and check valves, ect. Secondly, On the basis of flow network theory and time difference method, we established a new calculation method for gravity feed oil of aeroplane fuel system. This model can solve the multiple-branch and transient process simulation of gravity feed oil. Our method takes into consideration all fuel tanks and therefore, we believe, our method is intrinsically superior to traditional methods and is closer to understanding the real seriousness of the oil supply situation. Finally, we give a numerical example using the new method for a certain type of aircraft under gravity feed. achieved the variations of oil level and flow mass per second of each oil tanks which showed in Figures below. These variations show preliminarily that our proposed method of calculations is satisfactory.

  13. Isolation and Characterization of Acid-Tolerant, Thermophilic Bacteria for Effective Fermentation of Biomass-Derived Sugars to Lactic Acid

    Science.gov (United States)

    Patel, Milind A.; Ou, Mark S.; Harbrucker, Roberta; Aldrich, Henry C.; Buszko, Marian L.; Ingram, Lonnie O.; Shanmugam, K. T.

    2006-01-01

    Biomass-derived sugars, such as glucose, xylose, and other minor sugars, can be readily fermented to fuel ethanol and commodity chemicals by the appropriate microbes. Due to the differences in the optimum conditions for the activity of the fungal cellulases that are required for depolymerization of cellulose to fermentable sugars and the growth and fermentation characteristics of the current industrial microbes, simultaneous saccharification and fermentation (SSF) of cellulose is envisioned at conditions that are not optimal for the fungal cellulase activity, leading to a higher-than-required cost of cellulase in SSF. We have isolated bacterial strains that grew and fermented both glucose and xylose, major components of cellulose and hemicellulose, respectively, to l(+)-lactic acid at 50°C and pH 5.0, conditions that are also optimal for fungal cellulase activity. Xylose was metabolized by these new isolates through the pentose-phosphate pathway. As expected for the metabolism of xylose by the pentose-phosphate pathway, [13C]lactate accounted for more than 90% of the total 13C-labeled products from [13C]xylose. Based on fatty acid profile and 16S rRNA sequence, these isolates cluster with Bacillus coagulans, although the B. coagulans type strain, ATCC 7050, failed to utilize xylose as a carbon source. These new B. coagulans isolates have the potential to reduce the cost of SSF by minimizing the amount of fungal cellulases, a significant cost component in the use of biomass as a renewable resource, for the production of fuels and chemicals. PMID:16672461

  14. Multi-Dimensional Simulation of LWR Fuel Behavior in the BISON Fuel Performance Code

    Science.gov (United States)

    Williamson, R. L.; Capps, N. A.; Liu, W.; Rashid, Y. R.; Wirth, B. D.

    2016-09-01

    Nuclear fuel operates in an extreme environment that induces complex multiphysics phenomena occurring over distances ranging from inter-atomic spacing to meters, and times scales ranging from microseconds to years. To simulate this behavior requires a wide variety of material models that are often complex and nonlinear. The recently developed BISON code represents a powerful fuel performance simulation tool based on its material and physical behavior capabilities, finite-element versatility of spatial representation, and use of parallel computing. The code can operate in full three dimensional (3D) mode, as well as in reduced two dimensional (2D) modes, e.g., axisymmetric radial-axial (R-Z) or plane radial-circumferential (R-θ), to suit the application and to allow treatment of global and local effects. A BISON case study was used to illustrate analysis of Pellet Clad Mechanical Interaction failures from manufacturing defects using combined 2D and 3D analyses. The analysis involved commercial fuel rods and demonstrated successful computation of metrics of interest to fuel failures, including cladding peak hoop stress and strain energy density. In comparison with a failure threshold derived from power ramp tests, results corroborate industry analyses of the root cause of the pellet-clad interaction failures and illustrate the importance of modeling 3D local effects around fuel pellet defects, which can produce complex effects including cold spots in the cladding, stress concentrations, and hot spots in the fuel that can lead to enhanced cladding degradation such as hydriding, oxidation, CRUD formation, and stress corrosion cracking.

  15. Multi-Dimensional Simulation of LWR Fuel Behavior in the BISON Fuel Performance Code

    Science.gov (United States)

    Williamson, R. L.; Capps, N. A.; Liu, W.; Rashid, Y. R.; Wirth, B. D.

    2016-11-01

    Nuclear fuel operates in an extreme environment that induces complex multiphysics phenomena occurring over distances ranging from inter-atomic spacing to meters, and times scales ranging from microseconds to years. To simulate this behavior requires a wide variety of material models that are often complex and nonlinear. The recently developed BISON code represents a powerful fuel performance simulation tool based on its material and physical behavior capabilities, finite-element versatility of spatial representation, and use of parallel computing. The code can operate in full three dimensional (3D) mode, as well as in reduced two dimensional (2D) modes, e.g., axisymmetric radial-axial ( R- Z) or plane radial-circumferential ( R- θ), to suit the application and to allow treatment of global and local effects. A BISON case study was used to illustrate analysis of Pellet Clad Mechanical Interaction failures from manufacturing defects using combined 2D and 3D analyses. The analysis involved commercial fuel rods and demonstrated successful computation of metrics of interest to fuel failures, including cladding peak hoop stress and strain energy density. In comparison with a failure threshold derived from power ramp tests, results corroborate industry analyses of the root cause of the pellet-clad interaction failures and illustrate the importance of modeling 3D local effects around fuel pellet defects, which can produce complex effects including cold spots in the cladding, stress concentrations, and hot spots in the fuel that can lead to enhanced cladding degradation such as hydriding, oxidation, CRUD formation, and stress corrosion cracking.

  16. TOTAL HYDROGENATION OF BIOMASS-DERIVED FURFURAL OVER RANEY NICKEL-CLAY NANOCOMPOSITE CATALYSTS

    Directory of Open Access Journals (Sweden)

    Rodiansono Rodiansono

    2013-08-01

    Full Text Available Inexpensive Raney Ni-clay composite (R-Ni/clay catalysts exhibited excellent activity and reusability in the total hydrogenation of biomass-derived furfural into tetrahydrofurfuryl alcohol under mild conditions. For the Raney Ni-bentonite (R-Ni/BNT catalysts, the complete reaction was achieved at 393 K, 180 min giving almost 99% yield of tetrahydrofurfuryl alcohol. The R-Ni/BNT catalyst was found to be reusable without any significant loss of activity and selectivity for at least six consecutive runs.

  17. Raney Ni-Sn catalyst for H2 production from biomass-derived hydrocarbons.

    Science.gov (United States)

    Huber, G W; Shabaker, J W; Dumesic, J A

    2003-06-27

    Hydrogen (H2) was produced by aqueous-phase reforming of biomass-derived oxygenated hydrocarbons at temperatures near 500 kelvin over a tin-promoted Raney-nickel catalyst. The performance of this non-precious metal catalyst compares favorably with that of platinum-based catalysts for production of hydrogen from ethylene glycol, glycerol, and sorbitol. The addition of tin to nickel decreases the rate of methane formation from C-O bond cleavage while maintaining the high rates of C-C bond cleavage required for hydrogen formation.

  18. Novel pathways to 2,5-dimethylfuran via biomass-derived 5-(chloromethyl)furfural.

    Science.gov (United States)

    Dutta, Saikat; Mascal, Mark

    2014-11-01

    2,5-Dimethylfuran (DMF) is one of the most actively pursued biomass-derived chemicals due to the fact that it can serve both as a biofuel and an intermediate for drop-in terephthalate polymers. DMF can be accessed via catalytic hydrogenation of 5-(hydroxymethyl)furfural (HMF), but the difficult accessibility of HMF from cellulosic biomass is a major impediment to the commercial development of such a process. Alternatively, 5-(chloromethyl)furfural (CMF) is freely accessible in high yield directly from raw biomass and is shown here to be efficiently reduced to DMF under mild conditions via simple derivatives (aldimine, acetal).

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

    Energy Technology Data Exchange (ETDEWEB)

    Pitz, William J. [Lawrence Livermore National Lab. (LLNL), Livermore, CA (United States); McNenly, Matt J. [Lawrence Livermore National Lab. (LLNL), Livermore, CA (United States); Whitesides, Russell [Lawrence Livermore National Lab. (LLNL), Livermore, CA (United States); Mehl, Marco [Lawrence Livermore National Lab. (LLNL), Livermore, CA (United States); Killingsworth, Nick J. [Lawrence Livermore National Lab. (LLNL), Livermore, CA (United States); Westbrook, Charles K. [Lawrence Livermore National Lab. (LLNL), Livermore, CA (United States)

    2015-12-17

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

  20. Gradient Elution Moving Boundary Electrophoresis Enables Rapid Analysis of Acids in Complex Biomass-Derived Streams

    Energy Technology Data Exchange (ETDEWEB)

    Munson, Matthew S.; Karp, Eric M.; Nimlos, Claire T.; Salit, Marc; Beckham, Gregg T.

    2016-12-05

    Biomass conversion processes such as pretreatment, liquefaction, and pyrolysis often produce complex mixtures of intermediates that are a substantial challenge to analyze rapidly and reliably. To characterize these streams more comprehensively and efficiently, new techniques are needed to track species through biomass deconstruction and conversion processes. Here, we present the application of an emerging analytical method, gradient elution moving boundary electrophoresis (GEMBE), to quantify a suite of acids in a complex, biomass-derived streams from alkaline pretreatment of corn stover. GEMBE offers distinct advantages over common chromatography-spectrometry analytical approaches in terms of analysis time, sample preparation requirements, and cost of equipment. As demonstrated here, GEMBE is able to track 17 distinct compounds (oxalate, formate, succinate, malate, acetate, glycolate, protocatechuate, 3-hydroxypropanoate, lactate, glycerate, 2-hydroxybutanoate, 4-hydroxybenzoate, vanillate, p-coumarate, ferulate, sinapate, and acetovanillone). The lower limit of detection was compound dependent and ranged between 0.9 and 3.5 umol/L. Results from GEMBE were similar to recent results from an orthogonal method based on GCxGC-TOF/MS. Overall, GEMBE offers a rapid, robust approach to analyze complex biomass-derived samples, and given the ease and convenience of deployment, may offer an analytical solution for online tracking of multiple types of biomass streams.

  1. Uncertainty evaluation of the thermal expansion of simulated fuel

    Energy Technology Data Exchange (ETDEWEB)

    Park, Chang Je; Kang, Kweon Ho; Song, Kee Chan [Korea Atomic Energy Research Institute, 150 Dukjin-dong, Yuseung-gu, Daejon 305-353 (Korea, Republic of)

    2006-08-15

    Thermal expansions of simulated fuel (SS1) are measured by using a dilatometer (DIL402C) from room temperature to 1900K. The main procedure of an uncertainty evaluation was followed by the strategy of the UO{sub 2} fuel. There exist uncertainties in the measurement, which should be quantified based on statistics. Referring to the ISO (International Organization for Standardization) guide, the uncertainties of the thermal expansion are quantified in three parts: the initial length, the length variation, and the system calibration factor. Each part is divided into two types. The A type uncertainty is derived from the statistical iterative measurement of an uncertainty and the B type uncertainty comes from a non-statistical uncertainty including a calibration and test reports. For the uncertainty evaluation, the digital calipers had been calibrated by the KOLAS (Korea Laboratory Accreditation Scheme) to obtain not only the calibration values but also the type B uncertainty. The whole system, the dilatometer (DIL402C), is composed of many complex sub-systems and in fact it is difficult to consider all the uncertainties of sub-systems. Thus, a calibration of the system was performed with a standard material (Al{sub 2}O{sub 3}), which is provided by NETZSCH. From the above standard uncertainties, the combined standard uncertainties were calculated by using the law of a propagation of an uncertainty. Finally, the expanded uncertainty was calculated by using the effective degree of freedom and the t-distribution for a given confidence level. The uncertainty of the thermal expansion for a simulated fuel was also compared with those of UO{sub 2} fuel. (author)

  2. Enabling Advanced Modeling and Simulations for Fuel-Flexible Combustors

    Energy Technology Data Exchange (ETDEWEB)

    Heinz Pitsch

    2010-05-31

    The overall goal of the present project is to enable advanced modeling and simulations for the design and optimization of fuel-flexible turbine combustors. For this purpose we use a high-fidelity, extensively-tested large-eddy simulation (LES) code and state-of-the-art models for premixed/partially-premixed turbulent combustion developed in the PI's group. In the frame of the present project, these techniques are applied, assessed, and improved for hydrogen enriched premixed and partially premixed gas-turbine combustion. Our innovative approaches include a completely consistent description of flame propagation, a coupled progress variable/level set method to resolve the detailed flame structure, and incorporation of thermal-diffusion (non-unity Lewis number) effects. In addition, we have developed a general flamelet-type transformation holding in the limits of both non-premixed and premixed burning. As a result, a model for partially premixed combustion has been derived. The coupled progress variable/level method and the general flamelet tranformation were validated by LES of a lean-premixed low-swirl burner that has been studied experimentally at Lawrence Berkeley National Laboratory. The model is extended to include the non-unity Lewis number effects, which play a critical role in fuel-flexible combustor with high hydrogen content fuel. More specifically, a two-scalar model for lean hydrogen and hydrogen-enriched combustion is developed and validated against experimental and direct numerical simulation (DNS) data. Results are presented to emphasize the importance of non-unity Lewis number effects in the lean-premixed low-swirl burner of interest in this project. The proposed model gives improved results, which shows that the inclusion of the non-unity Lewis number effects is essential for accurate prediction of the lean-premixed low-swirl flame.

  3. Enabling Advanced Modeling and Simulations for Fuel-Flexible Combustors

    Energy Technology Data Exchange (ETDEWEB)

    Pitsch, Heinz

    2010-05-31

    The overall goal of the present project is to enable advanced modeling and simulations for the design and optimization of fuel-flexible turbine combustors. For this purpose we use a high fidelity, extensively-tested large-eddy simulation (LES) code and state-of-the-art models for premixed/partially-premixed turbulent combustion developed in the PI's group. In the frame of the present project, these techniques are applied, assessed, and improved for hydrogen enriched premixed and partially premixed gas-turbine combustion. Our innovative approaches include a completely consistent description of flame propagation; a coupled progress variable/level set method to resolve the detailed flame structure, and incorporation of thermal-diffusion (non-unity Lewis number) effects. In addition, we have developed a general flamelet-type transformation holding in the limits of both non-premixed and premixed burning. As a result, a model for partially premixed combustion has been derived. The coupled progress variable/level method and the general flamelet transformation were validated by LES of a lean-premixed low-swirl burner that has been studied experimentally at Lawrence Berkeley National Laboratory. The model is extended to include the non-unity Lewis number effects, which play a critical role in fuel-flexible combustor with high hydrogen content fuel. More specifically, a two-scalar model for lean hydrogen and hydrogen-enriched combustion is developed and validated against experimental and direct numerical simulation (DNS) data. Results are presented to emphasize the importance of non-unity Lewis number effects in the lean-premixed low-swirl burner of interest in this project. The proposed model gives improved results, which shows that the inclusion of the non-unity Lewis number effects is essential for accurate prediction of the lean-premixed low-swirl flame.

  4. Characterisation of refuse-derived fuels on the basis of their combustion characteristics; Charakterisierung von Ersatzbrennstoffen hinsichtlich brennstofftechnischer Eigenschaften

    Energy Technology Data Exchange (ETDEWEB)

    Beckmann, M.; Ncube, S. [Bauhaus Univ. Weimer (Germany). Lehrstuhl Verfahren und Umwelt

    2007-07-01

    Refuse-derived fuels and biomass-derived fuels are used in power stations and industrial production processes, either in monocombustion plants or in cocombustion plants. Their energy content, ignition and combustion characteristics, slag formation and corrosion potential make them difficult fuels. The contribution starts by reviewing the combustion characteristics of refuse-derived and biomass-derived fuels and analyzing their influence on the combustion characteristics. Various methods of defining the combustion characteristics of these fuels are explained. (orig.)

  5. Fully-Coupled Metallic Fuel Performance Simulations using BISON

    Energy Technology Data Exchange (ETDEWEB)

    Galloway, Jack D. [Los Alamos National Lab. (LANL), Los Alamos, NM (United States); Unal, Cetin [Los Alamos National Lab. (LANL), Los Alamos, NM (United States)

    2015-08-27

    This document is a set of slides intended to accompany a talk at a meeting. The first topic taken up is zirconium redistribution. The rod edge Zr increase is evidently due to the Soret term and temperature gradient. Then metallic fission gas release modeling is considered. Based on a GRSIS/FEAST model, the approach of generating fission gas in the fuel matrix is described. A sensitivity study on parameters is presented, including sodium bond & diffusion coefficient sensitivity along with dt sensitivity. Finally, results of some coupled simulations are shown, with ideas about future work.

  6. Conversion of microalgae to jet fuel: process design and simulation.

    Science.gov (United States)

    Wang, Hui-Yuan; Bluck, David; Van Wie, Bernard J

    2014-09-01

    Microalgae's aquatic, non-edible, highly genetically modifiable nature and fast growth rate are considered ideal for biomass conversion to liquid fuels providing promise for future shortages in fossil fuels and for reducing greenhouse gas and pollutant emissions from combustion. We demonstrate adaptability of PRO/II software by simulating a microalgae photo-bio-reactor and thermolysis with fixed conversion isothermal reactors adding a heat exchanger for thermolysis. We model a cooling tower and gas floatation with zero-duty flash drums adding solids removal for floatation. Properties data are from PRO/II's thermodynamic data manager. Hydrotreating is analyzed within PRO/II's case study option, made subject to Jet B fuel constraints, and we determine an optimal 6.8% bioleum bypass ratio, 230°C hydrotreater temperature, and 20:1 bottoms to overhead distillation ratio. Process economic feasibility occurs if cheap CO2, H2O and nutrient resources are available, along with solar energy and energy from byproduct combustion, and hydrotreater H2 from product reforming.

  7. Internal curing with lightweight aggregate produced from biomass-derived waste

    Energy Technology Data Exchange (ETDEWEB)

    Lura, Pietro, E-mail: pietro.lura@empa.ch [Empa, Swiss Federal Laboratories for Materials Science and Technology, Dübendorf (Switzerland); Institute for Building Materials (IfB), ETH Zürich (Switzerland); Wyrzykowski, Mateusz [Empa, Swiss Federal Laboratories for Materials Science and Technology, Dübendorf (Switzerland); Department of Building Physics and Building Materials, Lodz University of Technology (Poland); Tang, Clarence [Siam Research and Innovation, SCG Cement–Building Materials, Saraburi (Thailand); Lehmann, Eberhard [Paul Scherrer Institut, 5232 Villigen PSI (Switzerland)

    2014-05-01

    Shrinkage of concrete may lead to cracking and ultimately to a reduction of the service life of concrete structures. Among known methods for shrinkage mitigation, internal curing with porous aggregates was successfully utilized in the last couple of decades for decreasing autogenous and drying shrinkage. In this paper, the internal curing performance of pre-saturated lightweight aggregates produced from biomass-derived waste (bio-LWA) was studied. In the first part of this paper, the microstructure of the bio-LWA is investigated, with special focus on their pore structure and on their water absorption and desorption behavior. The bio-LWA has large porosity and coarse pore structure, which allows them to release the entrained water at early age and counteract self-desiccation and autogenous shrinkage. In the second part, the efficiency of internal curing in mortars incorporating the bio-LWA is examined by neutron tomography, internal relative humidity and autogenous deformation measurements.

  8. Biomass Derived Chemicals: Furfural Oxidative Esterification to Methyl-2-furoate over Gold Catalysts

    Directory of Open Access Journals (Sweden)

    Maela Manzoli

    2016-07-01

    Full Text Available The use of heterogeneous catalysis to upgrade biomass wastes coming from lignocellulose into higher value-added chemicals is one of the most explored subjects in the prospective vision of bio-refinery. In this frame, a lot of interest has been driven towards biomass-derived building block molecules, such as furfural. Gold supported catalysts have been successfully proven to be highly active and selective in the furfural oxidative esterification to methyl-2-furoate under mild conditions by employing oxygen as benign oxidant. Particular attention has been given to the studies in which the reaction occurs even without base as co-catalyst, which would lead to a more green and economically advantageous process. The Au catalysts are also stable and quite easily recovered and represent a feasible and promising route to efficiently convert furfural to methyl-2-furoate to be scaled up at industrial level.

  9. [Environmental behavior and effect of biomass-derived black carbon in soil: a review].

    Science.gov (United States)

    Liu, Yu-Xue; Liu, Wei; Wu, Wei-Xiang; Zhong, Zhe-Ke; Chen, Ying-Xu

    2009-04-01

    Biomass-derived black carbon, also named biochar, has the characteristics of high stability against decay and high capability of adsorption, and can affect the environment through its interactions with climate and geology, playing a significant role in global climate change, carbon biogeochemical cycle, and environmental system. In recent years, more and more researchers in the fields of atmospheric sciences, geology, and environmental science focused on the environmental behavior and effect of biochar. As one possible source of the components with high aromatic structure in soil humus, biochar is of great importance in increasing soil carbon storage and improving soil fertility, and in maintaining the balance of soil ecosystem. This paper offered the latest information regarding the characteristics and biotic and abiotic oxidation mechanisms of biochar, its effects on global climate change, and the environmental effect of biochar in soil. Research prospects were briefly discussed on the environmental behavior and effect of biochar in soil ecosystem.

  10. Ignition of Liquid Fuel Spray and Simulated Solid Rocket Fuel by Photoignition of Carbon Nanotube Utilizing a Camera Flash

    Science.gov (United States)

    2011-12-01

    Badakhshan A1 , Danczyk S. A.2, Wirth D.3 and Pilon L. 3 Abstract We have studied the ignition of fuel sprays and simulated solid rocket fuels (SRF...photoignition of solid oxidizer/CNT mixtures exposed to a flash of light. The flash source was a commercial studio flash lamp with a rated maximum

  11. Two-dimensional simulation of polymer electrolyte membrane fuel cells

    Energy Technology Data Exchange (ETDEWEB)

    Hum, B.; Li, X. [Waterloo Univ., ON (Canada). Dept. of Mechanical Engineering

    2002-07-01

    Polymer electrolyte membrane (PEM) fuel cells have fast startup, are highly energy efficient and have high power density, rendering them very suitable for use in zero-emission vehicles and on-site power cogeneration. Before the PEM fuel cell can reach widespread commercial use, the performance has to be improved regarding the minimization of all transport resistances. This can be done by considering the electrochemical reactions in the catalyst layers along with the physical transport of reactant gas flows, product and process water, heat and the charged particles in the individual cells and stacks. This paper presents the results of a two-dimensional numerical simulation of a steady, isothermal, fully humidified PEM fuel cell which was conducted to examine what happens in the catalyst layers. The finite volume method was used together with the alternating direction implicit algorithm. It was determined that the cathode catalyst layer has more pronounced changes in potential, reaction rate and current density generation compared to the anode catalyst layer. This is because of the large cathode activation overpotential and the low diffusion coefficient of oxygen. It was demonstrated that catalyst layers, by nature, are 2 dimensional, particularly in areas of low reactant concentrations. Maximum power density is limited by the depletion of one of the reactants in the catalyst layer. Both the fuel and oxidant supply must be managed simultaneously for optimal cell performance. It was concluded that cell performance is not greatly affected by flow direction. It was noted that this analysis can also be used for more complex cell design, such as cross flow between reactant streams and practical serpentine flow channel design. 11 refs., 2 tabs., 10 figs.

  12. Multidisciplinary Simulation of Graphite-Composite and Cermet Fuel Elements for NTP Point of Departure Designs

    Science.gov (United States)

    Stewart, Mark E.; Schnitzler, Bruce G.

    2015-01-01

    This paper compares the expected performance of two Nuclear Thermal Propulsion fuel types. High fidelity, fluid/thermal/structural + neutronic simulations help predict the performance of graphite-composite and cermet fuel types from point of departure engine designs from the Nuclear Thermal Propulsion project. Materials and nuclear reactivity issues are reviewed for each fuel type. Thermal/structural simulations predict thermal stresses in the fuel and thermal expansion mis-match stresses in the coatings. Fluid/thermal/structural/neutronic simulations provide predictions for full fuel elements. Although NTP engines will utilize many existing chemical engine components and technologies, nuclear fuel elements are a less developed engine component and introduce design uncertainty. Consequently, these fuel element simulations provide important insights into NTP engine performance.

  13. Alternative Liquid Fuels Simulation Model (AltSim).

    Energy Technology Data Exchange (ETDEWEB)

    Williams, Ryan; Baker, Arnold Barry; Drennen, Thomas E.

    2009-12-01

    The Alternative Liquid Fuels Simulation Model (AltSim) is a high-level dynamic simulation model which calculates and compares the production and end use costs, greenhouse gas emissions, and energy balances of several alternative liquid transportation fuels. These fuels include: corn ethanol, cellulosic ethanol from various feedstocks (switchgrass, corn stover, forest residue, and farmed trees), biodiesel, and diesels derived from natural gas (gas to liquid, or GTL), coal (coal to liquid, or CTL), and coal with biomass (CBTL). AltSim allows for comprehensive sensitivity analyses on capital costs, operation and maintenance costs, renewable and fossil fuel feedstock costs, feedstock conversion ratio, financial assumptions, tax credits, CO{sub 2} taxes, and plant capacity factor. This paper summarizes the structure and methodology of AltSim, presents results, and provides a detailed sensitivity analysis. The Energy Independence and Security Act (EISA) of 2007 sets a goal for the increased use of biofuels in the U.S., ultimately reaching 36 billion gallons by 2022. AltSim's base case assumes EPA projected feedstock costs in 2022 (EPA, 2009). For the base case assumptions, AltSim estimates per gallon production costs for the five ethanol feedstocks (corn, switchgrass, corn stover, forest residue, and farmed trees) of $1.86, $2.32, $2.45, $1.52, and $1.91, respectively. The projected production cost of biodiesel is $1.81/gallon. The estimates for CTL without biomass range from $1.36 to $2.22. With biomass, the estimated costs increase, ranging from $2.19 per gallon for the CTL option with 8% biomass to $2.79 per gallon for the CTL option with 30% biomass and carbon capture and sequestration. AltSim compares the greenhouse gas emissions (GHG) associated with both the production and consumption of the various fuels. EISA allows fuels emitting 20% less greenhouse gases (GHG) than conventional gasoline and diesels to qualify as renewable fuels. This allows several of the

  14. Alternative Liquid Fuels Simulation Model (AltSim).

    Energy Technology Data Exchange (ETDEWEB)

    Williams, Ryan; Baker, Arnold Barry; Drennen, Thomas E.

    2009-12-01

    The Alternative Liquid Fuels Simulation Model (AltSim) is a high-level dynamic simulation model which calculates and compares the production and end use costs, greenhouse gas emissions, and energy balances of several alternative liquid transportation fuels. These fuels include: corn ethanol, cellulosic ethanol from various feedstocks (switchgrass, corn stover, forest residue, and farmed trees), biodiesel, and diesels derived from natural gas (gas to liquid, or GTL), coal (coal to liquid, or CTL), and coal with biomass (CBTL). AltSim allows for comprehensive sensitivity analyses on capital costs, operation and maintenance costs, renewable and fossil fuel feedstock costs, feedstock conversion ratio, financial assumptions, tax credits, CO{sub 2} taxes, and plant capacity factor. This paper summarizes the structure and methodology of AltSim, presents results, and provides a detailed sensitivity analysis. The Energy Independence and Security Act (EISA) of 2007 sets a goal for the increased use of biofuels in the U.S., ultimately reaching 36 billion gallons by 2022. AltSim's base case assumes EPA projected feedstock costs in 2022 (EPA, 2009). For the base case assumptions, AltSim estimates per gallon production costs for the five ethanol feedstocks (corn, switchgrass, corn stover, forest residue, and farmed trees) of $1.86, $2.32, $2.45, $1.52, and $1.91, respectively. The projected production cost of biodiesel is $1.81/gallon. The estimates for CTL without biomass range from $1.36 to $2.22. With biomass, the estimated costs increase, ranging from $2.19 per gallon for the CTL option with 8% biomass to $2.79 per gallon for the CTL option with 30% biomass and carbon capture and sequestration. AltSim compares the greenhouse gas emissions (GHG) associated with both the production and consumption of the various fuels. EISA allows fuels emitting 20% less greenhouse gases (GHG) than conventional gasoline and diesels to qualify as renewable fuels. This allows several of the

  15. A methodology for determining the dynamic exchange of resources in nuclear fuel cycle simulation

    Energy Technology Data Exchange (ETDEWEB)

    Gidden, Matthew J., E-mail: gidden@iiasa.ac.at [International Institute for Applied Systems Analysis, Schlossplatz 1, A-2361 Laxenburg (Austria); University of Wisconsin – Madison, Department of Nuclear Engineering and Engineering Physics, Madison, WI 53706 (United States); Wilson, Paul P.H. [University of Wisconsin – Madison, Department of Nuclear Engineering and Engineering Physics, Madison, WI 53706 (United States)

    2016-12-15

    Highlights: • A novel fuel cycle simulation entity interaction mechanism is proposed. • A framework and implementation of the mechanism is described. • New facility outage and regional interaction scenario studies are described and analyzed. - Abstract: Simulation of the nuclear fuel cycle can be performed using a wide range of techniques and methodologies. Past efforts have focused on specific fuel cycles or reactor technologies. The CYCLUS fuel cycle simulator seeks to separate the design of the simulation from the fuel cycle or technologies of interest. In order to support this separation, a robust supply–demand communication and solution framework is required. Accordingly an agent-based supply-chain framework, the Dynamic Resource Exchange (DRE), has been designed implemented in CYCLUS. It supports the communication of complex resources, namely isotopic compositions of nuclear fuel, between fuel cycle facilities and their managers (e.g., institutions and regions). Instances of supply and demand are defined as an optimization problem and solved for each timestep. Importantly, the DRE allows each agent in the simulation to independently indicate preference for specific trading options in order to meet both physics requirements and satisfy constraints imposed by potential socio-political models. To display the variety of possible simulations that the DRE enables, example scenarios are formulated and described. Important features include key fuel-cycle facility outages, introduction of external recycled fuel sources (similar to the current mixed oxide (MOX) fuel fabrication facility in the United States), and nontrivial interactions between fuel cycles existing in different regions.

  16. Comparative Performance of Direct Injection Diesel Engines Fueled Using Compressed Natural Gas and Diesel Fuel Based on GT-POWER Simulation

    Directory of Open Access Journals (Sweden)

    Semin

    2008-01-01

    Full Text Available The paper is investigated the application of compressed natural gas (CNG as an alternative fuel and its performance effect in the diesel engines using GT-POWER computational simulation. The CNG as an alternative fuel for four stroke diesel engine modeling was developed from the real diesel engine using GT-POWER computational model with measure all of engine components size. The computational model will be running on mono CNG fuel and mono diesel fuel to simulate and investigate the engine performance effect on the difference fuel. Output of the model simulation shown the effect of diesel engine fueled by CNG performance effect were simulated in any engine speeds parameters.

  17. Hardware-Based Simulation of a Fuel Cell Turbine Hybrid Response to Imposed Fuel Cell Load Transients

    Energy Technology Data Exchange (ETDEWEB)

    Smith, T.P. (Georgia Inst. of Technology); Tucker, D.A.; Haynes, C.L. (Georgia Inst. of Technology); Liese, E.A.; Wepfer, W.J. (Georgia Inst. of Technology)

    2006-11-01

    Electrical load transients imposed on the cell stack of a solid oxide fuel cell/gas turbine hybrid power system are studied using the Hybrid Performance (HyPer) project. The hardware simulation facility is located at the U.S. Department of Energy, National Energy Technology Laboratory (NETL). A computational fuel cell model capable of operating in real time is integrated with operating gas turbine hardware. The thermal output of a modeled 350 kW solid oxide fuel cell stack is replicated in the facility by a natural gas fired burner in a direct fired hybrid configuration. Pressure vessels are used to represent a fuel cell stack's cathode flow and post combustion volume and flow impedance. This hardware is used to simulate the fuel cell stack and is incorporated with a modified turbine, compressor, and 120 kW generator on a single shaft. For this study, a simulation was started with a simulated current demand of 307 A on the fuel cell at approximately 0.75 V and an actual 45 kW electrical load on the gas turbine. An open loop response, allowing the turbine rotational speed to respond to thermal transients, was successfully evaluated for a 5% current reduction on the fuel cell followed by a 5% current increase. The impact of the fuel cell load change on system process variables is presented. The test results demonstrate the capabilities of the hardware-in-the-loop simulation approach in evaluating hybrid fuel cell turbine dynamics and performance.

  18. Tin-catalyzed conversion of biomass-derived triose sugar and formaldehyde to α-hydroxy-γ-butyrolactone.

    Science.gov (United States)

    Yamaguchi, Sho; Motokura, Ken; Sakamoto, Yasuharu; Miyaji, Akimitsu; Baba, Toshihide

    2014-05-07

    The direct conversion of biomass-derived 1,3-dihydroxyacetone (DHA) and formaldehyde to α-hydroxy-γ-butyrolactone (HBL) was achieved through the use of tin(iv) chloride and a small amount of water and the yield reached up to 70%. The reaction mechanism was also investigated by incorporating d2-formaldehyde into the reaction mixtures.

  19. Physical Simulation of Burning Process of Alternative Engine Fuels

    Directory of Open Access Journals (Sweden)

    M. S. Assad

    2008-01-01

    Full Text Available Visualization of burning process in the closed vessel has been fulfilled with the help of method high-speed photography through a transparent glass. This method as an efficient means for investigation of fast processes permits to obtain a visual, convenient visual perception insight about the development of the burning process and understand peculiarities of the development of flame in the closed vessels.The paper contains a description of an experimental stand and methodology for execution of an experiment on visualization of the flame development and measurement of main parameters of the burning process in a closed vessel that is in the simulating combustion chamber.According to the obtained photos an analysis of form, structure and dynamics of flame front development has been carried out; some peculiarities and differences of flames of various fuel-air mixtures have been established and the paper proves an occurrence of the secondary glow during burning in the closed vessel.Body of data obtained with the help of the visualization of burning process makes it possible to determine main parameters of the burning process. In particular, relation of the pressure developed in the chamber with the mass of burnt-out mixture has been investigated and dependence has been obtained that shows the law of fuel burning-out in the graphic form.

  20. Fabrication of Non-instrumented capsule for DUPIC simulated fuel irradiation test in HANARO

    Energy Technology Data Exchange (ETDEWEB)

    Kim, B.G.; Kang, Y.H.; Park, S.J.; Shin, Y.T. [Korea Atomic Energy Research Institute, Taejon (Korea)

    1999-10-01

    In order to develope DUPIC nuclear fuel, the irradiation test for simulated DUPIC fuel was planed using a non-instrumented capsule in HANARO. Because DUPIC fuel is highly radioactive material the non-instrumented capsule for an irradiation test of simulated DUPIC fuel in HANARO was designed to remotely assemble and disassemble in hot cell. And then, according to the design requirements the non-instrumented DUPIC capsule was successfully manufactured. Also, the manufacturing technologies of the non-instrumented capsule for irradiating the nuclear fuel in HANARO were established, and the basic technology for the development of the instrumented capsule technology was accumulated. This report describes the manufacturing of the non-instrumented capsule for simulated DUPIC fuel. And, this report will be based to develope the instrumented capsule, which will be utilized to irradiate the nuclear fuel in HANARO. 26 refs., 4 figs. (Author)

  1. Simulation of primary fuel atomization processes at subcritical pressures.

    Energy Technology Data Exchange (ETDEWEB)

    Arienti, Marco

    2013-06-01

    This report documents results from an LDRD project for the first-principles simulation of the early stages of spray formation (primary atomization). The first part describes a Cartesian embedded-wall method for the calculation of flow internal to a real injector in a fully coupled primary calculation. The second part describes the extension to an all-velocity formulation by introducing a momentum-conservative semi-Lagrangian advection and by adding a compressible term in the Poissons equation. Accompanying the description of the new algorithms are verification tests for simple two-phase problems in the presence of a solid interface; a validation study for a scaled-up multi-hole Diesel injector; and demonstration calculations for the closing and opening transients of a single-hole injector and for the high-pressure injection of liquid fuel at supersonic velocity.

  2. Aviation Fuel Tracer Simulation: Model Intercomparison and Implications

    Science.gov (United States)

    Danilin, M. Y.; Fahey, D. W.; Schumann, U.; Prather, M. J.; Penner, J. E.; Ko, M. K. W.; Weisenstein, D. K.; Jackman, C. H.; Pitari, G.; Koehler, I.; Sausen, R.; Weaver, C. J.; Douglass, A. R.; Connell, P. S.; Kinnison, D. E.; Dentener, F. J.; Fleming, E. L.; Berntsen, T. K.; Isaksen, I. S. A.

    1998-01-01

    An upper limit for aircraft-produced perturbations to aerosols and gaseous exhaust products in the upper troposphere and lower stratosphere (UT/LS) is derived using the 1992 aviation fuel tracer simulation performed by eleven global atmospheric models. Key findings are that subsonic aircraft emissions: (1) have not been responsible for the observed water vapor trends at 40degN; (2) could be a significant source of soot mass near 12 km, but not at 20 km; (3) might cause a noticeable increase in the background sulfate aerosol surface area and number densities (but not mass density) near the northern mid-latitude tropopause; and (4) could provide a global, annual mean top of the atmosphere radiative forcing up to +0.006 W/sq m and -0.013 W/sq m due to emitted soot and sulfur, respectively.

  3. Simulated Coal-Gas-Fueled Molten Carbonate Fuel Cell Development Program. Final report

    Energy Technology Data Exchange (ETDEWEB)

    1992-08-01

    This final report summarizes the technical work performed under Department of Energy Contract DE-AC21-91MC27393, ``Simulated Coal- Gas-Fueled Molten Carbonate Fuel Cell Development Program.`` This work consists of five major tasks and their respective subtasks as listed below. A brief description of each task is also provided. The Stack Design Requirements task focused on requirements and specification for designing, constructing, and testing a nominal 100-kilowatt integrated stack and on requirements for the balance-of-plant equipment to support a 1000-kilowatt integrated stack demonstrator. The Stack Design Preparation task focused on the mechanical design of a 100-kilowatt stack comprised of 8-ft{sup 2} cells incorporating the new cell configuration and component technology improvements developed in the previous DOE MCFC contract. Electrode Casting focused on developing a faster drying solvent for use in the electrode tape casting process. Electrode Heat Treatment was directed at scaling up the laboratory continuous debinding process to a new full-size IFC debinding oven coupled to a continuous belt furnace that will both debind and sinter the electrodes in one continuous process train. Repeat Part Quality Assurance and Testing provided the appropriate effort to ensure consistent, high-quality, reproducible and comparable repeat parts.

  4. Simulated Coal-Gas-Fueled Molten Carbonate Fuel Cell Development Program

    Energy Technology Data Exchange (ETDEWEB)

    1992-08-01

    This final report summarizes the technical work performed under Department of Energy Contract DE-AC21-91MC27393, Simulated Coal- Gas-Fueled Molten Carbonate Fuel Cell Development Program.'' This work consists of five major tasks and their respective subtasks as listed below. A brief description of each task is also provided. The Stack Design Requirements task focused on requirements and specification for designing, constructing, and testing a nominal 100-kilowatt integrated stack and on requirements for the balance-of-plant equipment to support a 1000-kilowatt integrated stack demonstrator. The Stack Design Preparation task focused on the mechanical design of a 100-kilowatt stack comprised of 8-ft[sup 2] cells incorporating the new cell configuration and component technology improvements developed in the previous DOE MCFC contract. Electrode Casting focused on developing a faster drying solvent for use in the electrode tape casting process. Electrode Heat Treatment was directed at scaling up the laboratory continuous debinding process to a new full-size IFC debinding oven coupled to a continuous belt furnace that will both debind and sinter the electrodes in one continuous process train. Repeat Part Quality Assurance and Testing provided the appropriate effort to ensure consistent, high-quality, reproducible and comparable repeat parts.

  5. Biomass-Derived Renewable Aromatics: Selective Routes and Outlook for p-Xylene Commercialisation.

    Science.gov (United States)

    Maneffa, Andy; Priecel, Peter; Lopez-Sanchez, Jose A

    2016-10-06

    Methylbenzenes are among the most important organic chemicals today and, among them, p-xylene deserves particular attention because of its production volume and its application in the manufacture of polyethylene terephthalate (PET). There is great interest in producing this commodity chemical more sustainably from biomass sources, particularly driven by manufacturers willing to produce more sustainable synthetic fibres and PET bottles for beverages. A renewable source for p-xylene would allow achieving this goal with minimal disruption to existing processes for PET production. Despite the fact that recently some routes to renewable p-xylene have been identified, there is no clear consensus on their feasibility or implications. We have critically reviewed the current state-of-the-art with focus on catalytic routes and possible outlook for commercialisation. Pathways to obtain p-xylene from a biomass-derived route include methanol-to-aromatics (MTA), ethanol dehydration, ethylene dimerization, furan cycloaddition or catalytic fast pyrolysis and hydrotreating of lignin. Some of the processes identified suggest near-future possibilities, but also more speculative or longer-term sources for synthesis of p-xylene are highlighted.

  6. Manganese oxide as catalyst for tar cleaning of biomass-derived gas

    Energy Technology Data Exchange (ETDEWEB)

    Lind, Fredrik; Israelsson, Mikael; Seemann, Martin; Thunman, Henrik [Chalmers University of Technology, Division of Energy Technology, Department of Energy and Environment, Gothenburg (Sweden)

    2012-06-15

    The possibilities to upgrade raw gas with the use of a manganese oxide have been investigated in an application for secondary tar cleaning of biomass-derived gas. Experiments were conducted in a reactor system where a novel technique that combines tar cleaning with catalyst regeneration is applied. Raw gas from the Chalmers non-catalytic steam biomass gasifier - containing roughly 32 g{sub tar}/Nm{sub gas} {sup 3} - was fed to the tar cleaning reactor. The tar reforming qualities of the manganese oxide were evaluated in the reactor system using a mixture of 23 wt.% catalysts in silica sand at the temperatures 700 and 800 C. Experiments showed that the catalyst was continuously regenerated from carbon deposits and that the total amount of tars was decreased by as much as 44.5 % at a gas residence time of 0.4 s in the bed. The catalyst showed activity in water-gas shift reaction and the H{sub 2}/CO ratio increased from 0.6 in the raw gas to a peak value of 1 in the reformed gas at 800 C. Only a slight decrease in methane and acetylene content was observed for both operating temperatures. (orig.)

  7. Bioconversion of Biomass-Derived Phenols Catalyzed by Myceliophthora thermophila Laccase

    Directory of Open Access Journals (Sweden)

    Anastasia Zerva

    2016-04-01

    Full Text Available Biomass-derived phenols have recently arisen as an attractive alternative for building blocks to be used in synthetic applications, due to their widespread availability as an abundant renewable resource. In the present paper, commercial laccase from the thermophilic fungus Myceliophthora thermophila was used to bioconvert phenol monomers, namely catechol, pyrogallol and gallic acid in water. The resulting products from catechol and gallic acid were polymers that were partially characterized in respect to their optical and thermal properties, and their average molecular weight was estimated via solution viscosity measurements and GPC. FT-IR and 1H-NMR data suggest that phenol monomers are connected with ether or C–C bonds depending on the starting monomer, while the achieved molecular weight of polycatechol is found higher than the corresponding poly(gallic acid. On the other hand, under the same condition, pyrogallol was dimerized in a pure red crystalline compound and its structure was confirmed by 1H-NMR as purpurogallin. The herein studied green synthesis of enzymatically synthesized phenol polymers or biological active compounds could be exploited as an alternative synthetic route targeting a variety of applications.

  8. Dynamic molecular structure of plant biomass-derived black carbon (biochar)

    Energy Technology Data Exchange (ETDEWEB)

    Keiluweit, M.; Nico, P.S.; Johnson, M.G.; Kleber, M.

    2009-11-15

    Char black carbon (BC), the solid residue of incomplete combustion, is continuously being added to soils and sediments due to natural vegetation fires, anthropogenic pollution, and new strategies for carbon sequestration ('biochar'). Here we present a molecular-level assessment of the physical organization and chemical complexity of biomass-derived chars and, specifically, that of aromatic carbon in char structures. BET-N{sub 2} surface area, X-ray diffraction (XRD), synchrotron-based Near-edge X-ray Absorption Fine Structure (NEXAFS), and Fourier transform infrared (FT-IR) spectroscopy are used to show how two plant materials (wood and grass) undergo analogous, but quantitatively different physical-chemical transitions as charring temperature increases from 100 to 700 C. These changes suggest the existence of four distinct categories of char consisting of a unique mixture of chemical phases and physical states: (i) in transition chars the crystalline character of the precursor materials is preserved, (ii) in amorphous chars the heat-altered molecules and incipient aromatic polycondensates are randomly mixed, (iii) composite chars consist of poorly ordered graphene stacks embedded in amorphous phases, and (iv) turbostratic chars are dominated by disordered graphitic crystallites. The molecular variations among the different char categories translate into differences in their ability to persist in the environment and function as environmental sorbents.

  9. Multiscale Simulation of Electrochemical_/ Phenomena: Fuel Cells and Batteries

    Science.gov (United States)

    Voth, Gregory

    2012-02-01

    Results will be presented from multiscale simulations of two important systems from renewable energy technology, fuel cell proton membranes and electrochemical cells. In the first case, the solvation and transport of hydrated protons in proton exchange membranes (PEMs) such as Nafion^TM will be described using a novel multi-state reactive molecular dynamics (MD) approach. The multi-state MD methodology allows for the treatment of explicit (Grotthuss) proton shuttling and charge defect delocalization which, in turn, can strongly influence the properties of the hydrated protons in various aqueous and complex environments. The role of PEM hydration level and morphology on these properties will be further described. A new multiscale computational methodology for describing the mesoscopic features of the proton transport will also be described, which can be coupled to the results from the molecular-scale simulations. On the second topic, a computationally efficient method will be presented for the treatment of electrostatic interactions between polarizable metallic electrodes held at a constant potential and separated by an electrolyte. The method combines a fluctuating uniform electrode charge with explicit image charges to account for the polarization of the electrode by the electrolyte, and a constant uniform charge added to the fluctuating uniform electrode charge to account for the constant potential condition. The method is used to calculate electron transport rates using electron transfer theory; these rates are incorporated in a multiscale approach to model oxidation/reduction reactions in an electrochemical cell efficiently.

  10. Catalytic Upgrading of Biomass-Derived Compounds via C-C Coupling Reactions. Computational and Experimental Studies of Acetaldehyde and Furan Reactions in HZSM-5

    Energy Technology Data Exchange (ETDEWEB)

    Liu, Cong [Argonne National Lab. (ANL), Argonne, IL (United States); Evans, Tabitha J. [National Renewable Energy Lab. (NREL), Golden, CO (United States); Cheng, Lei [Argonne National Lab. (ANL), Argonne, IL (United States); Nimlos, Mark R. [National Renewable Energy Lab. (NREL), Golden, CO (United States); Mukarakate, Calvin [National Renewable Energy Lab. (NREL), Golden, CO (United States); Robichaud, David J. [National Renewable Energy Lab. (NREL), Golden, CO (United States); Assary, Rajeev S. [Argonne National Lab. (ANL), Argonne, IL (United States); Curtiss, Larry A. [Argonne National Lab. (ANL), Argonne, IL (United States)

    2015-10-02

    These catalytic C–C coupling and deoxygenation reactions are essential for upgrading of biomass-derived oxygenates to fuel-range hydrocarbons. Detailed understanding of mechanistic and energetic aspects of these reactions is crucial to enabling and improving the catalytic upgrading of small oxygenates to useful chemicals and fuels. Using periodic density functional theory (DFT) calculations, we have investigated the reactions of furan and acetaldehyde in an HZSM-5 zeolite catalyst, a representative system associated with the catalytic upgrading of pyrolysis vapors. Comprehensive energy profiles were computed for self-reactions (i.e., acetaldehyde coupling and furan coupling) and cross-reactions (i.e., acetaldehyde + furan) of this representative mixture. Major products proposed from the computations are further confirmed using temperature controlled mass spectra measurements. Moreover, the computational results show that furan interacts with acetaldehyde in HZSM-5 via an alkylation mechanism, which is more favorable than the self-reactions, indicating that mixing furans with aldehydes could be a promising approach to maximize effective C–C coupling and dehydration while reducing the catalyst deactivation (e.g., coke formation) from aldehyde condensation.

  11. Dynamic Simulation of Carbonate Fuel Cell-Gas Turbine Hybrid Systems

    Energy Technology Data Exchange (ETDEWEB)

    Roberts, R.A. (U. of California, Irvine, CA); Brouwer, J. (U. of California, Irvine, CA); Liese, E.A.; Gemmen, R.S.

    2006-04-01

    Hybrid fuel cell/gas turbine systems provide an efficient means of producing electricity from fossil fuels with ultra low emissions. However, there are many significant challenges involved in integrating the fuel cell with the gas turbine and other components of this type of system. The fuel cell and the gas turbine must maintain efficient operation and electricity production while protecting equipment during perturbations that may occur when the system is connected to the utility grid or in stand-alone mode. This paper presents recent dynamic simulation results from two laboratories focused on developing tools to aid in the design and dynamic analyses of hybrid fuel cell systems. The simulation results present the response of a carbonate fuel cell/gas turbine, or molten carbonate fuel cell/gas turbine, (MCFC/GT) hybrid system to a load demand perturbation. Initial results suggest that creative control strategies will be needed to ensure a flexible system with wide turndown and robust dynamic operation.

  12. Simulation of the impact of 3-D porosity distribution in metallic U-10Zr fuels

    Science.gov (United States)

    Yun, Di; Yacout, Abdellatif M.; Stan, Marius; Bauer, Theodore H.; Wright, Arthur E.

    2014-05-01

    Evolution of porosity generated in metallic U-Zr fuel irradiated in fast spectrum reactors leads to changes in fuel properties and impacts important phenomena such as heat transport and constituent redistribution. The porosity is generated as a result of the accumulation of fission gases and is affected by the possible bond sodium infiltration into the fuel. Typically, the impact of porosity development on properties, such as thermal conductivity, is accounted for through empirical correlations that are dependent on porosity and infiltrated sodium fractions. Currently available simulation tools make it possible to take into account fuel 3-D porosity distributions, potentially eliminating the need for such correlations. This development allows for a more realistic representation of the porosity evolution in metallic fuel and creates a framework for truly mechanistic fuel development models. In this work, COMSOL multi-physics simulation platform is used to model 3-D porosity distributions and simulate heat transport in metallic U-10Zr fuel. Available experimental data regarding microstructural evolution of fuel that was irradiated in EBR-II and associated phase stability information are used to guide the simulation. The impact of changes in porosity characteristics on material properties is estimated and the results are compared with calculated temperature distributions. The simulations demonstrate the developed capability and importance of accounting for detailed porosity distribution features for accurate fuel performance evaluation.

  13. Numerical Simulation of Shock-Dispersed Fuel Charges

    Energy Technology Data Exchange (ETDEWEB)

    Bell, John B.; Day, Marcus; Beckner, Vincent; Rendleman, Charles; Kuhl, Allen L.; Neuwald, P.

    2005-06-20

    Successfully attacking underground storage facilities for chemical and biological (C/B) weapons is an important mission area for the Department of Defense. The fate of a C/B agent during an attack depends critically on the pressure and thermal environment that the agent experiences. The initial environment is determined by the blast wave from an explosive device. The byproducts of the detonation provide a fuel source that burn when mixed with oxidizer (after burning). Additional energy can be released by the ignition of the C/B agent as it mixes with the explosion products and the air in the chamber. Hot plumes venting material from any openings in the chamber can provide fuel for additional energy release when mixed with additional oxidizer. Assessment of the effectiveness of current explosives as well as the development of new explosive systems requires a detailed understanding of all of these modes of energy release. Using methodologies based on the use of higher-order Godunov schemes combined with Adaptive Mesh Refinement (AMR), implemented in a parallel adaptive framework suited to the massively parallel computer systems provided by the DOD High-Performance Computing Modernization program, we use a suite of programs to develop predictive models for the simulation of the energetics of blast waves, deflagration waves and ejecta plumes. The programs use realistic reaction kinetic and thermodynamic models provided by standard components (such as CHEMKIN) as well as other novel methods to model enhanced explosive devices. The work described here focuses on the validation of these models against a series of bomb calorimetry experiments performed at the Ernst-Mach Institute. In this paper, we present three-dimensional simulations of the experiments, examining the explosion dynamics and the role of subsequent burning on the explosion products on the thermal and pressure environment within the calorimeter. The effects of burning are quantified by comparing two sets of

  14. Computer simulation of the behaviour and performance of a CANDU fuel rod

    Energy Technology Data Exchange (ETDEWEB)

    Marino, A.C. [Comison Nacional de Energia Atomica (Argentina)

    1997-07-01

    At the Argentine Atomic Energy Commission (Comision Nacional de Energia Atomica, CNEA) the BACO code (for 'BArra COmbustible', fuel rod) was developed. It allows the simulation of the thermo-mechanical performance of a cylindrical fuel rod in a Pressurized Heavy Water Reactor (PHWR). The standard present version of the code (2.30), is a powerful tool for a relatively easy and complete evaluation of fuel behaviour predictions. Input parameters and, therefore, output ones may include statistical dispersion. As a demonstration of BACO capabilities we include a review of CANDU fuel applications, and the calculation and a parametric analysis of a characteristic CANDU fuel. (author)

  15. Comparative Performance of Direct Injection Diesel Engines Fueled Using Compressed Natural Gas and Diesel Fuel Based on GT-POWER Simulation

    OpenAIRE

    Semin; Abdul R. Ismail; Rosli A. Bakar

    2008-01-01

    The paper is investigated the application of compressed natural gas (CNG) as an alternative fuel and its performance effect in the diesel engines using GT-POWER computational simulation. The CNG as an alternative fuel for four stroke diesel engine modeling was developed from the real diesel engine using GT-POWER computational model with measure all of engine components size. The computational model will be running on mono CNG fuel and mono diesel fuel to simulate and investigate the engine pe...

  16. Morphology change of rock-like oxide fuels in reactivity-initiated-accident simulation tests

    Science.gov (United States)

    Nakamura, T.; Sasajima, H.; Yamashita, T.; Uetsuka, H.

    2003-06-01

    Pulse irradiation tests under simulated reactivity-initiated accident (RIA) conditions were performed with three types of rock-like oxide (ROX) fuels. Single phase yttria stabilized zirconia (YSZ), homogeneous mixture of YSZ/spinel and YSZ particle dispersed in spinel type ROX fuels were pulse irradiated in the Nuclear Safety Research Reactor (NSRR). Mode and threshold of the fuel rod failure including its consequences were investigated under the RIA conditions. The cladding failure occurred in a burst type mode in all the three types of ROX fuel tests with considerable fuel melting. Even though the mode was quite different from those of UO 2 fuel, failure threshold enthalpies of the ROX fuels were close to that of UO 2 fuel at about 10 GJ m -3. The consequence of the failure of the ROX fuels rods was different from the one of UO 2 fuel rods, because molten fuel dispersal occurred at lower enthalpies in the ROX fuel tests. Change of the fuel structure and material interaction in the transient heating conditions were examined through optical and secondary electron microscopy, and electron probe micro analysis.

  17. Development of the fabrication technology of the simulated fuel-I, 15,000MWd/tU

    Energy Technology Data Exchange (ETDEWEB)

    Kang, Kweon Ho; Kim, D. J.; Kim, H. S.; Lee, J. W.; Yang, M. S

    2001-04-01

    It is important to get basic data to analysis physical properties, behavior in reactor and performance of the DUPIC fuel because physical properties, fission gas release, grain growth and et al. of the DUPIC fuel is different from the commercial UO2 fuel. But what directly measures physical properties et al. of DUPIC fuel being resinterred simulated spent fuel through OREOX process is very difficult in laboratory owing to its high level radiation. Then fabrication of simulated DUPIC fuel is needed to measure its properties. In this study, the sintering characterization of wet milled powder for 24 hours to fabricate 15,000MWd/tU equivalent burnup simulated fuel.

  18. Simulation of nanostructured electrodes for polymer electrolyte membrane fuel cells

    Science.gov (United States)

    Rao, Sanjeev M.; Xing, Yangchuan

    Aligned carbon nanotubes (CNTs) with Pt uniformly deposited on them are being considered in fabricating the catalyst layer of polymer electrolyte membrane (PEM) fuel cell electrodes. When coated with a proton conducting polymer (e.g., Nafion) on the Pt/CNTs, each Pt/CNT acts as a nanoelectrode and a collection of such nanoelectrodes constitutes the proposed nanostructured electrodes. Computer modeling was performed for the cathode side, in which both multicomponent and Knudsen diffusion were taken into account. The effect of the nanoelectrode lengths was also studied with catalyst layer thicknesses of 2, 4, 6, and 10 μm. It was observed that shorter lengths produce better electrode performance due to lower diffusion barriers and better catalyst utilization. The effect of spacing between the nanoelectrodes was studied. Simulation results showed the need to have sufficiently large gas pores, i.e., large spacing, for good oxygen transport. However, this is at the cost of obtaining large electrode currents due to reduction of the number of nanoelectrodes per unit geometrical area of the nanostructured electrode. An optimization of the nanostructured electrodes was obtained when the spacing was at about 400 nm that produced the best limiting current density.

  19. Modeling and Simulation for Fuel Cell Polymer Electrolyte Membrane

    Directory of Open Access Journals (Sweden)

    Takahiro Hayashi

    2013-01-01

    Full Text Available We have established methods to evaluate key properties that are needed to commercialize polyelectrolyte membranes for fuel cell electric vehicles such as water diffusion, gas permeability, and mechanical strength. These methods are based on coarse-graining models. For calculating water diffusion and gas permeability through the membranes, the dissipative particle dynamics–Monte Carlo approach was applied, while mechanical strength of the hydrated membrane was simulated by coarse-grained molecular dynamics. As a result of our systematic search and analysis, we can now grasp the direction necessary to improve water diffusion, gas permeability, and mechanical strength. For water diffusion, a map that reveals the relationship between many kinds of molecular structures and diffusion constants was obtained, in which the direction to enhance the diffusivity by improving membrane structure can be clearly seen. In order to achieve high mechanical strength, the molecular structure should be such that the hydrated membrane contains narrow water channels, but these might decrease the proton conductivity. Therefore, an optimal design of the polymer structure is needed, and the developed models reviewed here make it possible to optimize these molecular structures.

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

    Science.gov (United States)

    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.

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

    Energy Technology Data Exchange (ETDEWEB)

    Mohammed, Abdul Aziz, E-mail: azizM@uniten.edu.my; Rahman, Shaik Mohmmed Haikhal Abdul [Universiti Tenaga Nasional. Jalan Ikram-UNITEN, 43000 Kajang, Selangor (Malaysia); Pauzi, Anas Muhamad, E-mail: anas@uniten.edu.my; Zin, Muhamad Rawi Muhammad; Jamro, Rafhayudi; Idris, Faridah Mohamad [Malaysian Nuclear Agency, Bangi, 43000 Kajang, Selangor (Malaysia)

    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 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.

  2. Simulation Analysis of Combustion Parameters and Emission Characteristics of CNG Fueled HCCI Engine

    Directory of Open Access Journals (Sweden)

    P. M. Diaz

    2013-01-01

    Full Text Available The naturally aspirated compressed natural gas (CNG fueled homogeneous charge compression ignition (HCCI engine operation region is narrow between heavy knock at rich air-fuel mixture side and misfire at the lean air-fuel mixture side. However, high activation energy is needed to attain autoignition temperature of CNG fueled HCCI engine. This paper seeks to provide guidance in overcoming challenges of CNG fueled HCCI engine by using CHEMKIN. It is used to investigate the fundamental characteristics of the homogeneous charge compression ignition combustion process for different air-fuel mixture inlet temperature, relative air-fuel ratio of 2.5, and with hemispherical bowl types of combustion chambers. The variation of various properties like the peak cylinder pressure, peak cylinder temperature, CO emission, NO emission, soot emission, and HC emission are studied. It is necessary to develop new combustion models to simulate and predict all parameters with high accuracy.

  3. High Resolution Numerical Simulations of Primary Atomization in Diesel Sprays with Single Component Reference Fuels

    Science.gov (United States)

    2015-09-01

    NC. 14. ABSTRACT A high-resolution numerical simulation of jet breakup and spray formation from a complex diesel fuel injector at diesel engine ... diesel fuel injector at diesel engine type conditions has been performed. A full understanding of the primary atomization process in diesel fuel...the capability of a recently adopted high fidelity two phase flow solver in the context of diesel engine sprays. Previous works relating to this

  4. Two dimensional simulation of direct methanol fuel cell : a new (embedded) type of current collectors

    OpenAIRE

    Kulikovsky, A. A.; Divisek, J.; Kornyshev, Yu. M.

    2000-01-01

    A two-dimensional numerical model of the direct methanol fuel cell with gas fuel is developed. Simulation of the cell with current collectors of conventional geometry reveal the formation of fuel-depleted, "shaded" regions in the cathode and anode catalyst layers. These regions are positioned in front of current collectors, farther from the gas channel windows. Another disadvantage of the conventional geometry is the concentration of electron current at the edges of current collectors. Based ...

  5. Simulations of Lithium-Based Neutron Coincidence Counter for Gd-Loaded Fuel

    Energy Technology Data Exchange (ETDEWEB)

    Cowles, Christian C.; Kouzes, Richard T.; Siciliano, Edward R.

    2014-10-31

    The Department of Energy Office of Nuclear Safeguards and Security (NA-241) is supporting the project Lithium-Based Alternative Neutron Detection Technology Coincidence Counting for Gd-loaded Fuels at Pacific Northwest National Laboratory for the development of a lithium-based neutron coincidence counter for nondestructively assaying Gd loaded nuclear fuel. This report provides results from MCNP simulations of a lithium-based coincidence counter for the possible measurement of Gd-loaded nuclear fuel. A comparison of lithium-based simulations and UNCL-II simulations with and without Gd loaded fuel is provided. A lithium-based model, referred to as PLNS3A-R1, showed strong promise for assaying Gd loaded fuel.

  6. Simulations of Lithium-Based Neutron Coincidence Counter for Gd-Loaded Fuel

    Energy Technology Data Exchange (ETDEWEB)

    Cowles, Christian C. [Pacific Northwest National Lab. (PNNL), Richland, WA (United States); Kouzes, Richard T. [Pacific Northwest National Lab. (PNNL), Richland, WA (United States); Siciliano, Edward R. [Pacific Northwest National Lab. (PNNL), Richland, WA (United States)

    2014-10-01

    The Department of Energy Office of Nuclear Safeguards and Security (NA-241) is supporting the project Lithium-Based Alternative Neutron Detection Technology Coincidence Counting for Gd-loaded Fuels at Pacific Northwest National Laboratory for the development of a lithium-based neutron coincidence counter for nondestructively assaying Gd loaded nuclear fuel. This report provides results from MCNP simulations of a lithium-based coincidence counter for the possible measurement of Gd-loaded nuclear fuel. A comparison of lithium-based simulations and UNCL-II simulations with and without Gd loaded fuel is provided. A lithium-based model, referred to as PLNS3A-R1, showed strong promise for assaying Gd loaded fuel.

  7. Simulation and Optimization of the logistics of biomass fuel collection.

    NARCIS (Netherlands)

    Mol, de R.M.; Jogems, M.A.H.; Beek, van P.; Gigler, J.K.

    1997-01-01

    Biomass fuel costs depend for a great part on the logistics of biomass fuel collection. The logistics, including pre-treatments, from source locations to energy plant can be modelled by means of a network structure. Nodes correspond to source locations, collection sites, trans-shipment sites,

  8. Simulation of the irradiation behaviour of the PBMR fuel in the SAFARI-1 reactor / B.M. Makgopa

    OpenAIRE

    2009-01-01

    Irradiation experiments for the pebble bed modular reactor PBMR fuel (coated fuel particles and pebble fuel) are planned at the South African First Atomic Reactor Installation (SAFARI-1). The experiments are conducted to investigate the behavior of the fuel under normal operating and accelerated/accident simulating conditions because the safe operation of the reactor relies on the integrity of the fuel for retention of radioactivity. For fuel irradiation experiments, the accura...

  9. Nuclear fuel cycle system simulation tool based on high-fidelity component modeling

    Energy Technology Data Exchange (ETDEWEB)

    Ames, David E.,

    2014-02-01

    The DOE is currently directing extensive research into developing fuel cycle technologies that will enable the safe, secure, economic, and sustainable expansion of nuclear energy. The task is formidable considering the numerous fuel cycle options, the large dynamic systems that each represent, and the necessity to accurately predict their behavior. The path to successfully develop and implement an advanced fuel cycle is highly dependent on the modeling capabilities and simulation tools available for performing useful relevant analysis to assist stakeholders in decision making. Therefore a high-fidelity fuel cycle simulation tool that performs system analysis, including uncertainty quantification and optimization was developed. The resulting simulator also includes the capability to calculate environmental impact measures for individual components and the system. An integrated system method and analysis approach that provides consistent and comprehensive evaluations of advanced fuel cycles was developed. A general approach was utilized allowing for the system to be modified in order to provide analysis for other systems with similar attributes. By utilizing this approach, the framework for simulating many different fuel cycle options is provided. Two example fuel cycle configurations were developed to take advantage of used fuel recycling and transmutation capabilities in waste management scenarios leading to minimized waste inventories.

  10. Impact of Contaminants Present in Coal-Biomass Derived Synthesis Gas on Water-gas Shift and Fischer-Tropsch Synthesis Catalysts

    Energy Technology Data Exchange (ETDEWEB)

    Alptekin, Gokhan [TDA Research, Inc., Wheat Ridge, CO (United States)

    2013-02-15

    Co-gasification of biomass and coal in large-scale, Integrated Gasification Combined Cycle (IGCC) plants increases the efficiency and reduces the environmental impact of making synthesis gas ("syngas") that can be used in Coal-Biomass-to-Liquids (CBTL) processes for producing transportation fuels. However, the water-gas shift (WGS) and Fischer-Tropsch synthesis (FTS) catalysts used in these processes may be poisoned by multiple contaminants found in coal-biomass derived syngas; sulfur species, trace toxic metals, halides, nitrogen species, the vapors of alkali metals and their salts (e.g., KCl and NaCl), ammonia, and phosphorous. Thus, it is essential to develop a fundamental understanding of poisoning/inhibition mechanisms before investing in the development of any costly mitigation technologies. We therefore investigated the impact of potential contaminants (H2S, NH3, HCN, AsH3, PH3, HCl, NaCl, KCl, AS3, NH4NO3, NH4OH, KNO3, HBr, HF, and HNO3) on the performance and lifetime of commercially available and generic (prepared in-house) WGS and FT catalysts.

  11. SIMULATION OF FUEL ECONOMY FOR MALAYSIAN URBAN DRIVING

    National Research Council Canada - National Science Library

    M A Abas; M F Muhamad Said; S F Zainal Abidin; I Zahari

    2015-01-01

    ... the residencies at the lower engine speed and load region. This paper presents the validation of the derived engine conditions representing Malaysian actual urban driving in an attempt to formulate representative fuel economy data...

  12. Simulating thermal behavior of AECL's spent fuel dry storage system with CATHENA

    Energy Technology Data Exchange (ETDEWEB)

    Sabourin, G. [Atomic Energy of Canada Limited, Montreal, PQ (Canada)

    1998-07-01

    This paper documents the comparisons between CATHENA predictions and temperature measurements taken at the Gentilly-2 NPP spent fuel dry storage facility and in a mock--up of a storage basket placed inside a storage cylinder. It also presents CATHENA temperature predictions related to the storage of spent fuel in MACSTOR modules as planned for Ignalina NPP, Lithuania. CATHENA has been chosen because it can simulate many noncondensable gases including air and helium, and because of its great flexibility in the representation of the MACSTOR module geometry. The results of the simulations show good agreement with the experimental measurements. The two comparisons indicate that CATHENA can be used to simulate heat transfer from the fuel to the external air circuit of the spent fuel dry storage system. For the Ignalina MACSTOR module, containing RBMK fuel having higher heat release than typical CANDU fuel, CATHENA predicts that the maximum fuel temperature is expected to be around 240 deg C, giving an acceptable margin below the maximum allowed temperature of 300 deg C. In conclusion, this paper shows that the thermalhydraulic code CATHENA can accurately predict the thermal behavior AECL's air cooled spent fuel dry storage system. (author)

  13. Multi-Fuel oxidation in Solid Oxide Fuel Cells: Model anodes and system studies

    NARCIS (Netherlands)

    Patel, H.C.

    2015-01-01

    With the evolution of renewable energy technologies it has become necessary that a balance is found between power production with conventional energy sources and other long term solutions. SOFCs offer an alternative for utilising conventional fossil fuels as well as sustainable biomass derived fuels

  14. Hardware in the loop simulation test platform of fuel cell backup system

    Directory of Open Access Journals (Sweden)

    Ma Tiancai

    2015-01-01

    Full Text Available Based on an analysis of voltage mechanistic model, a real-time simulation model of the proton exchange membrane (PEM fuel cell backup system is developed, and verified by the measurable experiment data. The method of online parameters identification for the model is also improved. Based on the software LabVIEW/VeriStand real-time environment and the PXI Express hardware system, the PEM fuel cell system controller hardware in the loop (HIL simulation plat-form is established. Controller simulation test results showed the accuracy of HIL simulation platform.

  15. Lewis Acid Pairs for the Activation of Biomass-derived Oxygenates in Aqueous Media

    Energy Technology Data Exchange (ETDEWEB)

    Roman, Yuriy [Massachusetts Inst. of Technology (MIT), Cambridge, MA (United States)

    2015-09-14

    The objective of this project is to understand the mechanistic aspects behind the cooperative activation of oxygenates by catalytic pairs in aqueous media. Specifically, we will investigate how the reactivity of a solid Lewis acid can be modulated by pairing the active site with other catalytic sites at the molecular level, with the ultimate goal of enhancing activation of targeted functional groups. Although unusual catalytic properties have been attributed to the cooperative effects promoted by such catalytic pairs, virtually no studies exist detailing the use heterogeneous water-tolerant Lewis pairs. A main goal of this work is to devise rational pathways for the synthesis of porous heterogeneous catalysts featuring isolated Lewis pairs that are active in the transformation of biomass-derived oxygenates in the presence of bulk water. Achieving this technical goal will require closely linking advanced synthesis techniques; detailed kinetic and mechanistic investigations; strict thermodynamic arguments; and comprehensive characterization studies of both materials and reaction intermediates. For the last performance period (2014-2015), two technical aims were pursued: 1) C-C coupling using Lewis acid and base pairs in Lewis acidic zeolites. Tin-, zirconium-, and hafnium containing zeolites (e.g., Sn-, Zr-, and Hf-Beta) are versatile solid Lewis acids that selectively activate carbonyl functional groups. In this aim, we demonstrate that these zeolites catalyze the cross-aldol condensation of aromatic aldehydes with acetone under mild reaction conditions with near quantitative yields. NMR studies with isotopically labeled molecules confirm that acid-base pairs in the Si-O-M framework ensemble promote soft enolization through α-proton abstraction. The Lewis acidic zeolites maintain activity in the presence of water and, unlike traditional base catalysts, in acidic solutions. 2) One-pot synthesis of MWW zeolite nanosheets for activation of bulky substrates. Through

  16. Simulation of the nuclear fuel assembly drop test with LS-Dyna

    Energy Technology Data Exchange (ETDEWEB)

    Petkevich, P., E-mail: petya2306@gmail.com; Abramov, V.; Yuremenko, V.; Piminov, V.; Makarov, V.; Afanasiev, A.

    2014-04-01

    Transportation of the nuclear fuel containing objects is especially sensitive to accidental drops, as any event, affecting the fuel spacial arrangement, alters also neutron multiplication factor and can result in uncontrolled chain reaction. The latter is particularly important for nuclear fuel being immersed in water. Apart from that, fall can result in a mechanical damage of the fuel rods, which can cause environmental pollution by radionuclides. Final and intermediate fuel configurations during the accident depend on the impact velocity and the angle between falling object and the surface. Experiments cannot cover all the possible variants of drops, as it would result in their unacceptable prices. Therefore elaboration of the approaches to numerically simulate such kind of accidents is an essential step in the nuclear fuel transportation safety analysis and is the principal goal of the present research. Series of drop tests with fuel assemblies (FA) models of different complexity have been performed and numerically simulated with LS-Dyna software in order to proof the reliability of such kind of analysis. The paper contains description of the drop test experimental facility, some experimental results and their numerical simulation. It has been found that the finite element model of the FA and the material properties used for the simulation provide reliable predictions of the FA materials deformation and failure in case of accidental drops onto a rigid surface.

  17. Liquid alkanes with targeted molecular weights from biomass-derived carbohydrates.

    Science.gov (United States)

    West, Ryan M; Liu, Zhen Y; Peter, Maximilian; Dumesic, James A

    2008-01-01

    Liquid transportation fuels must burn cleanly and have high energy densities, criteria that are currently fulfilled by petroleum, a non-renewable resource, the combustion of which leads to increasing levels of atmospheric CO(2). An attractive approach for the production of transportation fuels from renewable biomass resources is to convert carbohydrates into alkanes with targeted molecular weights, such as C(8)-C(15) for jet-fuel applications. Targeted n-alkanes can be produced directly from fructose by an integrated process involving first the dehydration of this C(6) sugar to form 5-hydroxymethylfurfural, followed by controlled formation of C-C bonds with acetone to form C(9) and C(15) compounds, and completed by hydrogenation and hydrodeoxygenation reactions to form the corresponding n-alkanes. Analogous reactions are demonstrated starting with 5-methylfurfural or 2-furaldehyde, with the latter leading to C(8) and C(13) n-alkanes.

  18. Multiphysics simulation of fast transients with the FINIX fuel behaviour module

    Directory of Open Access Journals (Sweden)

    Ikonen Timo

    2016-01-01

    Full Text Available FINIX is a recently developed fuel behaviour module that is designed to provide “simple but sufficient” descriptions of the most essential fuel behaviour phenomena in multiphysics simulations. In such simulations, it is possible to obtain significant improvement in the feedback to neutronics or thermal hydraulics modelling even with a relatively simple fuel performance model. In this work, FINIX is used as an internal fuel behaviour module both in reactor physics and in reactor dynamics codes to simulate coupled behaviour in fast transient scenarios. With the Monte Carlo reactor physics code Serpent we model a prompt transient in a VVER-1000 pin cell, and with the reactor dynamics code HEXTRAN, a control rod ejection accident in a VVER-440 reactor.

  19. Experiment and Simulation of Medium-Duty Tactical Truck for Fuel Economy Improvement

    Directory of Open Access Journals (Sweden)

    Allen M. Quail

    2011-02-01

    Full Text Available Fuel economy improvement on medium-duty tactical truck has and continues to be a significant initiative for the U.S. Army. The focus of this study is the investigation of Automated Manual Transmissions (AMT and mild hybridization powertrain that have potential to improve the fuel economy of the 2.5-ton cargo trucks. The current platform uses a seven-speed automatic transmission. This study utilized a combination of on-road experimental vehicle data and analytical vehicle modeling and simulation. This paper presents the results of (1 establishment of a validated, high fidelity baseline analytical vehicle model, (2 modeling and simulation of two AMTs and their control strategy, (3 optimization of transmissions shift schedules, and (4 modeling and simulation of engine idle stop/start and Belt-Integrated-Starter-Generator (B-ISG systems to improve the fuel economy. The fuel economy discrepancy between experimental average and the baseline simulation result was 2.87%. The simulation results indicated a 14.5% and 12.2% fuel economy improvement for the 10-speed and 12-speed AMT respectively. A stop/start system followed by a B-ISG mild hybrid system incorporating regenerative braking was estimated to improve fuel economy 3.39% and 10.2% respectively.

  20. Method to produce biomass-derived compounds using a co-solvent system containing gamma-valerolactone

    Energy Technology Data Exchange (ETDEWEB)

    Dumesic, James A.; Motagamwala, Ali Hussain

    2017-06-27

    A method to produce an aqueous solution of carbohydrates containing C5- and/or C6-sugar-containing oligomers and/or C5- and/or C6-sugar monomers in which biomass or a biomass-derived reactant is reacted with a solvent system having an organic solvent, and organic co-solvent, and water, in the presence of an acid. The method produces the desired product, while a substantial portion of any lignin present in the reactant appears as a precipitate in the product mixture.

  1. Burnup simulations of different fuel grades using the MCNPX Monte Carlo code

    Directory of Open Access Journals (Sweden)

    Asah-Opoku Fiifi

    2014-01-01

    Full Text Available Global energy problems range from the increasing cost of fuel to the unequal distribution of energy resources and the potential climate change resulting from the burning of fossil fuels. A sustainable nuclear energy would augment the current world energy supply and serve as a reliable future energy source. This research focuses on Monte Carlo simulations of pressurized water reactor systems. Three different fuel grades - mixed oxide fuel (MOX, uranium oxide fuel (UOX, and commercially enriched uranium or uranium metal (CEU - are used in this simulation and their impact on the effective multiplication factor (Keff and, hence, criticality and total radioactivity of the reactor core after fuel burnup analyzed. The effect of different clad materials on Keff is also studied. Burnup calculation results indicate a buildup of plutonium isotopes in UOX and CEU, as opposed to a decline in plutonium radioisotopes for MOX fuel burnup time. For MOX fuel, a decrease of 31.9% of the fissile plutonium isotope is observed, while for UOX and CEU, fissile plutonium isotopes increased by 82.3% and 83.8%, respectively. Keff results show zircaloy as a much more effective clad material in comparison to zirconium and stainless steel.

  2. Techno-economic analysis for upgrading the biomass-derived ethanol-to-jet blendstocks

    Energy Technology Data Exchange (ETDEWEB)

    Tao, Ling; Markham, Jennifer N.; Haq, Zia; Biddy, Mary J.

    2016-12-30

    This study summarizes the detailed techno-economic analysis of the ethanol-to-jet (ETJ) process based on two different feedstocks (corn grain and corn stover) at the plant scale of 2000 dry metric tons per day. Ethanol biologically derived from biomass is upgraded catalytically to jet blendstocks via alcohol dehydration, olefin oligomerization, and hydrotreating. In both pathways, corn-grain-derived ethanol to jet (corn mill ETJ) and corn-stover-derived ethanol to jet (corn stover ETJ), there are portions of gasoline and diesel produced as coproducts. Two cost bases are used in this study: the minimum jet fuel selling prices (MJSP) for jet-range blendstocks and the minimum fuel selling prices (MFSP) for all the hydrocarbons (gasoline, jet, and diesel) produced using a gallon gasoline equivalent (GGE) basis. The nth-plant MJSPs for the two pathways are estimated to be $4.20 per gal for corn mill and $6.14 per gal for corn stover, while MFSPs are $3.91 per GGE for corn mill and $5.37 per GGE for corn stover. If all of the hydrocarbon products (gasoline, jet, and diesel ranges) can be considered as fuel blendstocks using a GGE basis, the total hydrocarbon yield for fuel blendstock is 49.6 GGE per dry ton biomass for corn stover and 71.0 GGE per dry ton biomass for corn grain. The outcome of this study shows that the renewable jet fuel could be cost competitive with fossil derived jet fuel if further improvements could be made to increase process yields (particularly yields of sugars, sugar to ethanol, and ethanol to hydrocarbons), research and development of sustainable feedstocks, and more effective catalytic reaction kinetics. Pioneer plant analysis, which considers the increased capital investment and the decreased plant performance over the nth-plant analysis, is also performed, showing a potential 31%-178% increase in cost compared to the nth-plant assumptions for the dry mill pathway, but with a much wider range of 69%-471% cost increase over the nth

  3. Membrane-integrated oxy-fuel combustion of coal: Process design and simulation

    NARCIS (Netherlands)

    Chen, Wei; Ham, van der A.G.J.; Nijmeijer, A.; Winnubst, A.J.A.

    2015-01-01

    A membrane-integrated oxy-fuel combustion process is designed and simulated in UniSim Design®. The results of the simulation indicate that a net efficiency of 31.8% is obtained for a coal-fired power plant of 182 MWth (assuming only carbon in the coal), including the compression of CO2 to 100 bar. T

  4. Prediction of the fuel consumption of heavy goods vehicles by computer simulation

    Energy Technology Data Exchange (ETDEWEB)

    Renouf, M.A.

    The requirement for a computer simulation model of the fuel consumption of Heavy Goods Vehicles is identified and a model is defined. Different operating conditions are simulated and the results compared with those produced by an instrumented articulated vehicle operating at different gross vehicle weights. A comparison is made over short distances and defined conditions on the TRRL test track, and definition of driver behavior enables the experimental situation to be represented. Longer road routes including sections of urban, rural and motorway roads were also simulated and the model accurately predicted the fuel consumption for all gross vehicle weights tested.

  5. Catalytic conversion of biomass-derived feedstocks into olefins and aromatics with ZSM-5: the hydrogen to carbon effective ratio

    Energy Technology Data Exchange (ETDEWEB)

    Zhang, Huiyan; Cheng, Yu-Ting; Vispute, Tushar; Xiao, R; Huber, George W.

    2011-01-01

    Catalytic conversion of ten biomass-derived feedstocks, i.e.glucose, sorbitol, glycerol, tetrahydrofuran, methanol and different hydrogenated bio-oil fractions, with different hydrogen to carbon effective (H/C{sub eff}) ratios was conducted in a gas-phase flow fixed-bed reactor with a ZSM-5 catalyst. The aromatic + olefin yield increases and the coke yield decreases with increasing H/C{sub eff} ratio of the feed. There is an inflection point at a H/C{sub eff} ratio = 1.2, where the aromatic + olefin yield does not increase as rapidly as it does prior to this point. The ratio of olefins to aromatics also increases with increasing H/C{sub eff} ratio. CO and CO₂ yields go through a maximum with increasing H/C{sub eff} ratio. The deactivation rate of the catalyst decreases significantly with increasing H/C{sub eff} ratio. Coke was formed from both homogeneous and heterogeneous reactions. Thermogravimetric analysis (TGA) for the ten feedstocks showed that the formation of coke from homogeneous reactions decreases with increasing H/C{sub eff} ratio. Feedstocks with a H/C{sub eff} ratio less than 0.15 produce large amounts of undesired coke (more than 12 wt%) from homogeneous decomposition reactions. This paper shows that the conversion of biomass-derived feedstocks into aromatics and olefins using zeolite catalysts can be explained by the H/C{sub eff} ratio of the feed.

  6. Simulation and Implementation of Interleaved Boost DC-DC Converter for Fuel Cell Application

    Directory of Open Access Journals (Sweden)

    Ahmad Saudi Samosir

    2011-10-01

    Full Text Available This paper deals with a boost dc-dc converter for fuel cell application. In fuel cell electric vehicles application, a high power boost dc-dc converter is adopted to adjust the output voltage, current and power of fuel cell engine to meet the vehicle requirements. One of challenge in designing a boost converter for high power application is how to handle the high current at the input side. In this paper an interleaved boost dc-dc converter is proposed for current sharing on high power application. Moreover, this converter also reduces the fuel ripple current. Performance of the interleaved boost converter is tested through simulation and experimental results. Keywords: component; Interleaved Boost Converter; Fuel Cell Electric Vehicle; high power application.  

  7. Reference energy-altitude descent guidance: Simulator evaluation. [aircraft descent and fuel conservation

    Science.gov (United States)

    Abbot, K. H.; Knox, C. E.

    1985-01-01

    Descent guidance was developed to provide a pilot with information to ake a fuel-conservative descent and cross a designated geographical waypoint at a preselected altitude and airspeed. The guidance was designed to reduce fuel usage during the descent and reduce the mental work load associated with planning a fuel-conservative descent. A piloted simulation was conducted to evaluate the operational use of this guidance concept. The results of the simulation tests show that the use of the guidance reduced fuel consumption and mental work load during the descent. Use of the guidance also decreased the airspeed error, but had no effect on the altitude error when the designated waypoint was crossed. Physical work load increased with the use of the guidance, but remained well within acceptable levels. The pilots found the guidance easy to use as presented and reported that it would be useful in an operational environment.

  8. Simulation and in situ measurement of stress distribution in a polymer electrolyte membrane fuel cell stack

    Science.gov (United States)

    de la Cruz, Javier; Cano, Ulises; Romero, Tatiana

    2016-10-01

    A critical parameter for PEM fuel cell's electric contact is the nominal clamping pressure. Predicting the mechanical behavior of all components in a fuel cell stack is a very complex task due to the diversity of materials properties. Prior to the integration of a 3 kW PEMFC power plant, a numerical simulation was performed in order to obtain the mechanical stress distribution for two of the most pressure sensitive components of the stack: the membrane, and the graphite plates. The stress distribution of the above mentioned components was numerically simulated by finite element analysis and the stress magnitude for the membrane was confirmed using pressure films. Stress values were found within the elastic zone which guarantees mechanical integrity of fuel cell components. These low stress levels particularly for the membrane will allow prolonging the life and integrity of the fuel cell stack according to its design specifications.

  9. Simulation of the Internal Transport Phenomena for PEM Fuel Cells with Different Modes of Flow

    Institute of Scientific and Technical Information of China (English)

    胡鸣若; 朱新坚; 顾安忠

    2004-01-01

    A numerical model for proton exchange membrane (PEM) fuel cell is developed, which can simulate such basic transport phenomena as gas-liquid two-phase flow in a working fuel cell. Boundary conditions for both the conventional and the interdigitated modes of flow are presented on a three-dimensional basis. Numerical techniques for this model are discussed in detail. Validation shows good agreement between simulating results and experimental data. Furthermore, internal transport phenomena are discussed and compared for PEM fuel cells with conventional and interdigitated flows. It is found that the dead-ended structure of an interdigitated flow does increase the oxygen mass fraction and decrease the liquid water saturation in the gas diffusion layer as compared to the conventional mode of flow. However, the cathode humidification is important for an interdigitated flow to acquire better performance than a conventional flow fuel cell.

  10. V. S. O. P. - Computer Code System for Reactor Physics and Fuel Cycle Simulation

    OpenAIRE

    Teuchert, E.; Hansen, U.; Haas, K. A.

    1980-01-01

    V .S .O .P . (Very Superior Old Programs) is a system of codes linked together for the simulation of reactor life histories. It comprisesneutron cross section libraries and processing routines, repeated neutron spectrum evaluation, 2-D diffusion calculation based onneutron flux synthesis with depletion and shut-down features, incore and out-of-pile fuel management, fuel cycle cost analysis, and thermal hydraulics (at present restricted to Pebble Bed HTRs). Various techniques have been employe...

  11. Analysis of thermal response of phenolic foam specimens in a simulated JP-4 fuel fire

    Energy Technology Data Exchange (ETDEWEB)

    Laswell, J.E.

    1973-12-11

    NAD Crane has investigated various phenolic foam compositions which have excellent insulative thermal properties. Two contracts were let with Avco Systems Division to conduct thermal response tests with their simulated JP-4 fuel fire facility. Specimen densities ranged from 4.24 to 25.8 pounds per cubic foot. Time and temperature measurements were recorded until backface temperatures reached 500-1000. Aircraft fuel.

  12. Water interaction with laboratory-simulated fossil fuel combustion particles.

    Science.gov (United States)

    Popovicheva, O B; Kireeva, E D; Shonija, N K; Khokhlova, T D

    2009-10-01

    To clarify the impact of fossil fuel combustion particles' composition on their capacity to take up water, we apply a laboratory approach in which the method of deposition of compounds, identified in the particulate coverage of diesel and aircraft engine soot particles, is developed. It is found that near-monolayer organic/inorganic coverage of the soot particles may be represented by three groups of fossil fuel combustion-derived particulate matter with respect to their Hansh's coefficients related to hydrophilic properties. Water adsorption measurements show that nonpolar organics (aliphatic and aromatic hydrocarbons) lead to hydrophobization of the soot surface. Acidic properties of organic compounds such as those of oxidized PAHs, ethers, ketones, aromatic, and aliphatic acids are related to higher water uptake, whereas inorganic acids and ionic compounds such as salts of organic acids are shown to be responsible for soot hydrophilization. This finding allows us to quantify the role of the chemical identity of soot surface compounds in water uptake and the water interaction with fossil fuel combustion particles in the humid atmosphere.

  13. An analysis of the fuel consumption of commercial vehicles by computer simulation

    Energy Technology Data Exchange (ETDEWEB)

    Renouf, M.A.

    A computer simulation model was used to estimate the fuel consumption of goods vehicles operating in the UK over four major operating conditions, each represented by a duty cycle. The vehicles chosen for simulation ranged from 2 to 44 tons gross vehicle weight and represented vehicles operating in Europe. The compilation of data representing light vans, rigid and articulated vehicles (platform and box bodies) was related where possible to trends in vehicle characteristics with increasing gross vehicle weight. The simulation model provided the data for the formation of regression equations relating fuel consumption to gross vehicle weight for each body type and duty cycle. Four vehicles representing the major vehicle classes were chosen to examine the sensitivity of the fuel consumption changes in the assumptions made. Two additional contributions to fuel consumption considered were the extra fuel used during cold starts and delivery stops. As a check, the equations were used to calculate the fuel used by the UK national goods vehicle fleet; this figure was compared with an estimate based upon tax revenue. (Copyright (c) Crown Copyright 1981.)

  14. The fuel cell model of abiogenesis: a new approach to origin-of-life simulations.

    Science.gov (United States)

    Barge, Laura M; Kee, Terence P; Doloboff, Ivria J; Hampton, Joshua M P; Ismail, Mohammed; Pourkashanian, Mohamed; Zeytounian, John; Baum, Marc M; Moss, John A; Lin, Chung-Kuang; Kidd, Richard D; Kanik, Isik

    2014-03-01

    In this paper, we discuss how prebiotic geo-electrochemical systems can be modeled as a fuel cell and how laboratory simulations of the origin of life in general can benefit from this systems-led approach. As a specific example, the components of what we have termed the "prebiotic fuel cell" (PFC) that operates at a putative Hadean hydrothermal vent are detailed, and we used electrochemical analysis techniques and proton exchange membrane (PEM) fuel cell components to test the properties of this PFC and other geo-electrochemical systems, the results of which are reported here. The modular nature of fuel cells makes them ideal for creating geo-electrochemical reactors with which to simulate hydrothermal systems on wet rocky planets and characterize the energetic properties of the seafloor/hydrothermal interface. That electrochemical techniques should be applied to simulating the origin of life follows from the recognition of the fuel cell-like properties of prebiotic chemical systems and the earliest metabolisms. Conducting this type of laboratory simulation of the emergence of bioenergetics will not only be informative in the context of the origin of life on Earth but may help in understanding whether life might emerge in similar environments on other worlds.

  15. Automated refueling simulations of a CANDU for the exploitation of thorium fuels

    Science.gov (United States)

    Holmes, Bradford

    CANDU nuclear reactors are in a unique circumstance where they are able to utilize and exploit a number of different fuel options to provide power as a utility. Thorium, a fertile isotope found naturally, is one option that should be explored. Thorium is more abundant than uranium, which is the typical fuel in the reactor and the availability of thorium makes nuclear energy desirable to more countries. This document contains the culmination of a project that explores, tests, and analyzes the feasibility of using thorium in a CANDU reactor. The project first develops a set of twodimensional lattice and three dimensional control rod simulations using the DRAGON Version 4 nuclear physics codes. This step is repeated for many concentrations of thorium. The data generated in these steps is then used to determine a functional enrichment of thorium. This is done via a procedural elimination and optimization of certain key parameters including but not limited to average exit burnup and reactivity evolution. For the purposes of this project, an enrichment of 1 % thorium was found viable. Full core calculations were done using the DONJON 4 code. CANFUEL, a program which simulates the refueling operations of a CANDU reactor for this fuel type was developed and ran for a simulation period of one hundred days. The program and the fuel selection met all selected requirements for the entirety of the simulation period. CANFUEL requires optimization for fuel selection before it can be used extensively. The fuel selection was further scrutinized when a reactivity insertion event was simulated. The adjuster rod 11 withdrawal from the core was analyzed and compared to classical CANDU results in order to ensure no significant deviations or unwanted evolutions were encountered. For this case, the simulation results were deemed acceptable with no significant deviations from the classical CANDU case.

  16. Selective Hydrogenation of Biomass-derived Furfural over Supported Ni3Sn2 Alloy: Role of Supports

    Directory of Open Access Journals (Sweden)

    Rodiansono Rodiansono

    2016-03-01

    Full Text Available A highly active and selective hydrogenation of biomass-derived furfural into furfuryl alcohol was achieved using supported single phase Ni3Sn2 alloy catalysts. Various supports such as active carbon (AC, g-Al2O3, Al(OH3, ZnO, TiO2, ZrO2, MgO, Li-TN, and SiO2 have been employed in order to understand the role of the support on the formation of Ni3Sn2 alloy phase and its catalytic performance. Supported Ni3Sn2 alloy catalysts were synthesised via a simple hydrothermal treatment of the mixture of aqueous solution of nickel chloride hexahydrate and ethanol solution of tin(II chloride dihydrate in presence of ethylene glycol at 423 K for 24 h followed by H2 treatment at 673 K for 1.5 h, then characterised by using ICP-AES, XRD, H2- and N2-adsorption. XRD profiles of samples showed that the Ni3Sn2 alloy phases are readily formed during hydrothermal processes and become clearly observed at 2θ = 43-44o after H2 treatment. The presence of Ni3Sn2 alloy species that dispersed on the supports is believed to play a key role in highly active and selective hydrogenation of biomass-derived furfural towards furfuryl alcohol. Ni3Sn2 on TiO2 and ZnO supports exhibited much lower reaction temperature to achieved >99% yield of furfuryl alcohol product compared with other supports. The effects of loading amount of Ni-Sn, reaction conditions (temperature and time profile on the activity and selectivity towards the desired product are systematically discussed. Copyright © 2016 BCREC GROUP. All rights reserved Received: 10th November 2015; Revised: 31st December 2015; Accepted: 5th January 2016 How to Cite: Rodiansono, R., Astuti, M.D., Khairi, S., Shimazu, S. (2016. Selective Hydrogenation of Biomass-derived Furfural over Supported Ni3Sn2 Alloy: Role of Supports. Bulletin of Chemical Reaction Engineering & Catalysis, 11 (1: 1-9. (doi:10.9767/bcrec.11.1.393.1-9 Permalink/DOI: http://dx.doi.org/10.9767/bcrec.11.1.393.1-9

  17. Molten carbonate fuel cells. Modeling, analysis, simulation, and control

    Energy Technology Data Exchange (ETDEWEB)

    Sundmacher, K.; Kienle, A. [Max-Planck-Institut fuer Dynamik Komplexer Technischer Systeme, Magdeburg (Germany); Pesch, H.J. [Bayreuth Univ. (Germany). Lehrstuhl fuer Ingenieurmathematik; Berndt, J.F. [IPF Beteiligungsgesellschaft Berndt KG, Reilingen (Germany); Huppmann, G. (eds.) [MTU CFC Solutions GmbH, Muenchen (Germany)

    2007-07-01

    This book presents model-based concepts for process analysis and control on a generalized basis. It is structured as follows: Part I - DESIGN AND OPERATION: MTU's Carbonate Fuel Cell HotModule; Operational Experiences. Part II - MODEL-BASED PROCESS ANALYSIS: MCFC Reference Model; Index Analysis of Models; Parameter Identification; Steady State Process Analysis; Hot spot formation and steady state multiplicities; Conceptual design an Reforming concepts. Part III - OPTIMIZATION AND ADVANCED CONTROL: Model reduction and State estimation; Optimal Control Strategies; Optimization of Reforming Catalyst Distribution.

  18. Numerical Simulations of Hollow Cone Injection and Gasoline Compression Ignition Combustion With Naphtha Fuels

    KAUST Repository

    Badra, Jihad A.

    2016-01-11

    Gasoline compression ignition (GCI), also known as partially premixed compression ignition (PPCI) and gasoline direct injection compression ignition (GDICI), engines have been considered an attractive alternative to traditional spark ignition engines. Lean burn combustion with the direct injection of fuel eliminates throttle losses for higher thermodynamic efficiencies, and the precise control of the mixture compositions allows better emission performance such as NOx and particulate matter (PM). Recently, low octane gasoline fuel has been identified as a viable option for the GCI engine applications due to its longer ignition delay characteristics compared to diesel and lighter evaporation compared to gasoline fuel [1]. The feasibility of such a concept has been demonstrated by experimental investigations at Saudi Aramco [1, 2]. The present study aims to develop predictive capabilities for low octane gasoline fuel compression ignition engines with accurate characterization of the spray dynamics and combustion processes. Full three-dimensional simulations were conducted using CONVERGE as a basic modeling framework, using Reynolds-averaged Navier-Stokes (RANS) turbulent mixing models. An outwardly opening hollow-cone spray injector was characterized and validated against existing and new experimental data. An emphasis was made on the spray penetration characteristics. Various spray breakup and collision models have been tested and compared with the experimental data. An optimum combination has been identified and applied in the combusting GCI simulations. Linear instability sheet atomization (LISA) breakup model and modified Kelvin-Helmholtz and Rayleigh-Taylor (KH-RT) break models proved to work the best for the investigated injector. Comparisons between various existing spray models and a parametric study have been carried out to study the effects of various spray parameters. The fuel effects have been tested by using three different primary reference fuel (PRF

  19. Catabolism of biomass-derived sugars in fungi and metabolic engineering as a tool for organic acid production

    Energy Technology Data Exchange (ETDEWEB)

    Koivistoinen, O.

    2013-11-01

    gene ladB was identified and the deletion of the gene resulted in growth arrest on galactitol indicating that the enzyme is an essential part of the oxido-reductive galactose pathway in fungi. The last step of this pathway converts D-sorbitol to D-fructose by sorbitol dehydrogenase encoded by sdhA gene. Sorbitol dehydrogenase was found to be a medium chain dehydrogenase and transcription analysis suggested that the enzyme is involved in D-galactose and D-sorbitol catabolism. The thesis also demonstrates how the understanding of cell metabolism can be used to engineer yeast to produce glycolic acid. Glycolic acid is a chemical, which can be used for example in the cosmetic industry and as a precursor for biopolymers. Currently, glycolic acid is produced by chemical synthesis in a process requiring toxic formaldehyde and fossil fuels. Thus, a biochemical production route would be preferable from a sustainability point of view. Yeasts do not produce glycolic acid under normal conditions but it is a desired production host for acid production because of its natural tolerance to low pH conditions. As a proof of concept, pure model substrates, e.g. D-xylose and ethanol, were used as starting materials for glycolic acid production but the knowledge can be further applied to an expanded substrate range such as biomass derived sugars. Already the introduction of a heterologous glyoxylate reductase gene resulted in glycolic acid production in the yeasts S. cerevisiae and Kluyveromyces lactis. Further modifications of the glyoxylate cycle increased the production of glycolic acid and it was successfully produced in bioreactor cultivation. The challenge of biotechnology is to produce high value products from cheap raw materials in an economically feasible way. This thesis gives more basic understanding to the topic in the form of new information regarding L-rhamnose and D-galactose metabolism in eukaryotic microbes as well as provides an example on how cell metabolism can be

  20. Physical-Mathematical Model for Fixed-Bed Solid Fuel Gasification Process Simulation

    Directory of Open Access Journals (Sweden)

    Slyusarskiy Konstantin V.

    2017-01-01

    Full Text Available Phycial-mathmatical model for fixed-bed coal gasification process simulation is proposed. The heterogeneous carbon oxidation chemical reactions were simulated via Arrhenius equation while homogeneous reactions in gas phase were calculated using Gibbs free energy minimization procedure. The syngas component concentration field and fuel conversion distribution as well as syngas final temperature and composition were defined for fixed bed gasification of T-grade coal of Kuznetskiy deposit. The optimal fuel residence time and gasifyer specific productivity were defined. The prevail reactions in oxidizing and reduction zones together with its height were defined.

  1. A simulation study of Solid Oxide fuel cell for IGCC power generation using Aspen Plus

    DEFF Research Database (Denmark)

    Rudra, Souman; Kim, Hyung Taek

    2010-01-01

    in a more accurate fuel cell model giving an advantage over previous system studies based on simplified SOFC models. The objective of this work is to develop a simulation model of a SOFC for IGFC system, flexible enough for use in future development, capable of predicting system performance under various...... operating conditions and using diverse fuels. The SOFC stack model developed using the chemical process flow sheet simulator Aspen Plus which is of equilibrium type and is based on Gibbs free energy minimization. The SOFC model performs heat and mass balances and considers the ohmic, activation...

  2. Natural gas adsorption on biomass derived activated carbons: A mini review

    Directory of Open Access Journals (Sweden)

    Hamza Usman D.

    2016-01-01

    Full Text Available Activated carbon materials are good candidates for natural gas storage due excellent textural properties that are easy to enhance and modify. Natural gas is much cleaner fuel than coal and other petroleum derivatives. Storage of natural gas on porous sorbents at lower pressure is safer and cheaper compared to compressed and liquefied natural gas. This article reviews some works conducted on natural gas storage on biomass based activated carbon materials. Methane storage capacities and deliveries of the various sorbents were given. The effect of factors such as surface area, pore characteristic, heat of adsorption, packing density on the natural gas storage capacity on the activated carbons are discussed. Challenges, improvements and future directions of natural gas storage on porous carbonaceous materials are highlighted.

  3. Numerical Simulations of Hollow-Cone Injection and Gasoline Compression Ignition Combustion With Naphtha Fuels

    KAUST Repository

    Badra, Jihad A.

    2016-01-29

    Gasoline compression ignition (GCI), also known as partially premixed compression ignition (PPCI) and gasoline direct injection compression ignition (GDICI), engines have been considered an attractive alternative to traditional spark ignition (SI) engines. Lean-burn combustion with the direct injection of fuel eliminates throttle losses for higher thermodynamic efficiencies, and the precise control of the mixture compositions allows better emission performance such as NOx and particulate matter (PM). Recently, low octane gasoline fuel has been identified as a viable option for the GCI engine applications due to its longer ignition delay characteristics compared to diesel and lighter evaporation compared to gasoline fuel (Chang et al., 2012, "Enabling High Efficiency Direct Injection Engine With Naphtha Fuel Through Partially Premixed Charge Compression Ignition Combustion," SAE Technical Paper No. 2012-01-0677). The feasibility of such a concept has been demonstrated by experimental investigations at Saudi Aramco (Chang et al., 2012, "Enabling High Efficiency Direct Injection Engine With Naphtha Fuel Through Partially Premixed Charge Compression Ignition Combustion," SAE Technical Paper No. 2012-01-0677; Chang et al., 2013, "Fuel Economy Potential of Partially Premixed Compression Ignition (PPCI) Combustion With Naphtha Fuel," SAE Technical Paper No. 2013-01-2701). The present study aims to develop predictive capabilities for low octane gasoline fuel compression ignition (CI) engines with accurate characterization of the spray dynamics and combustion processes. Full three-dimensional simulations were conducted using converge as a basic modeling framework, using Reynolds-averaged Navier-Stokes (RANS) turbulent mixing models. An outwardly opening hollow-cone spray injector was characterized and validated against existing and new experimental data. An emphasis was made on the spray penetration characteristics. Various spray breakup and collision models have been

  4. Formation and removal of biomass-derived contaminants in fluidized-bed gasification processes

    Energy Technology Data Exchange (ETDEWEB)

    Kurkela, E. [VTT Energy, Espoo (Finland). Energy Production Technologies

    1996-12-31

    The objectives of this thesis were to examine the effects of the feedstock and the operating conditions of a fluidized-bed gasifier on the formation of tars and nitrogen-containing compounds and to study the effectiveness of the hot gas cleaning methods developed for the removal of particulates, alkali metals, tars and nitrogen-containing compounds. The most essential part of the work was carried out in the pressurized fluidized-bed gasification test facilities composed of an air-blown bubbling fluidized-bed gasifier and subsequent hot gas filter unit. The operation pressure of the test rig could be varied in the range 0.3 - 1.0 MPa and the maximum allowable gasification temperature was 1 050 deg C. The maximum capacity with biomass fuels was 80 kg/h. A wide range of feedstocks from hard coals, lignite and peat to different wood derived fuels and straw were used in the gasification tests. Two different types of ceramic filters were tested in the filter unit connected to the pressurized fluidized-bed gasifier. The filter unit was operated in a temperature range of 400 - 740 deg C. The particulate removal requirements set by the gas turbines were met by both types of filters and with product gases derived from all the feedstocks tested. In addition to the gasification and gas filtration tests, catalytic tar and ammonia decomposition was studied using both laboratory and bench-scale test facilities. Inexpensive calcium-based bulk materials, dolomites and limestones, were efficient tar decomposition catalysts in atmospheric-pressure tests

  5. User Guide for VISION 3.4.7 (Verifiable Fuel Cycle Simulation) Model

    Energy Technology Data Exchange (ETDEWEB)

    Jacob J. Jacobson; Robert F. Jeffers; Gretchen E. Matthern; Steven J. Piet; Wendell D. Hintze

    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 a 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

  6. Simulation of Cycle-to-Cycle Variation in Dual-Fuel Engines

    KAUST Repository

    Jaasim, Mohammed

    2017-03-13

    Standard practices of internal combustion (IC) engine experiments are to conduct the measurements of quantities averaged over a large number of cycles. Depending on the operating conditions, the cycle-to-cycle variation (CCV) of quantities, such as the indicated mean effective pressure (IMEP) are observed at different levels. Accurate prediction of CCV in IC engines is an important but challenging task. Computational fluid dynamics (CFD) simulations using high performance computing (HPC) can be used effectively to visualize such 3D spatial distributions. In the present study, a dual fuel large engine is considered, with natural gas injected into the manifold accompanied with direct injection of diesel pilot fuel to trigger ignition. Multiple engine cycles in 3D are simulated in series as in the experiments to investigate the potential of HPC based high fidelity simulations to accurately capture the cycle to cycle variation in dual fuel engines. Open cycle simulations are conducted to predict the combined effect of the stratification of fuel-air mixture, temperature and turbulence on the CCV of pressure. The predicted coefficient of variation (COV) of pressure compared to the results from closed cycle simulations and the experiments.

  7. Computational simulation of fuel burnup estimation for research reactors plate type

    Energy Technology Data Exchange (ETDEWEB)

    Santos, Nadia Rodrigues dos, E-mail: nadiasam@gmail.com [Instituto Federal de Educacao, Ciencia e Tecnologia do Rio de Janeiro (IFRJ), Paracambi, RJ (Brazil); Lima, Zelmo Rodrigues de; Moreira, Maria de Lourdes, E-mail: zrlima@ien.gov.br, E-mail: malu@ien.gov.br [Instituto de Engenharia Nuclear (IEN/CNEN-RJ), Rio de Janeiro, RJ (Brazil)

    2015-07-01

    The aim of this study is to estimate the spatial fuel burnup, through computational simulation, in two research reactors plate type, loaded with dispersion fuel: the benchmark Material Test Research - International Atomic Energy Agency (MTR-IAEA) and a typical multipurpose reactor (MR). The first composed of plates with uranium oxide dispersed in aluminum (UAlx-Al) and a second composed with uranium silicide (U{sub 3}Si{sub 2}) dispersed in aluminum. To develop this work we used the deterministic code, WIMSD-5B, which performs the cell calculation solving the neutron transport equation, and the DF3DQ code, written in FORTRAN, which solves the three-dimensional neutron diffusion equation using the finite difference method. The methodology used was adequate to estimate the spatial fuel burnup , as the results was in accordance with chosen benchmark, given satisfactorily to the proposal presented in this work, even showing the possibility to be applied to other research reactors. For future work are suggested simulations with other WIMS libraries, other settings core and fuel types. Comparisons the WIMSD-5B results with programs often employed in fuel burnup calculations and also others commercial programs, are suggested too. Another proposal is to estimate the fuel burnup, taking into account the thermohydraulics parameters and the Xenon production. (author)

  8. Simulation studies of diesel engine performance with oxygen enriched air and water emulsified fuels

    Energy Technology Data Exchange (ETDEWEB)

    Assanis, D.N.; Baker, D. (Illinois Univ., Urbana, IL (USA)); Sekar, R.R.; Siambekos, C.T.; Cole, R.L.; Marciniak, T.J. (Argonne National Lab., IL (USA))

    1990-01-01

    A computer simulation code of a turbocharged, turbocompound diesel engine was modified to study the effects of using oxygen-enriched combustion air and water-emulsified diesel fuels. Oxygen levels of 21 percent to 40 percent by volume in the combustion air were studied. Water content in the fuel was varied from 0 percent to 50 percent mass. Simulation studies and a review and analysis of previous work in this area led to the following conclusions about expected engine performance and emissions: the power density of the engine is significantly increased by oxygen enrichment. Ignition delay and particulate emissions are reduced. Combustion temperatures and No{sub x} emissions are increased with oxygen enrichment but could be brought back to the base levels by introducing water in the fuel. The peak cylinder pressure which increases with the power output level might result in mechanical problems with engine components. Oxygen enrichment also provides an opportunity to use cheaper fuel such as No. 6 diesel fuel. Overall, the adverse effects of oxygen enrichment could be countered by the addition of water and it appears that an optimum combination of water content, oxygen level, and base diesel fuel quality may exist. This could yield improved performance and emissions characteristics compared to a state-of-the-art diesel engine. 9 refs., 8 figs.

  9. Construction of tubular polypyrrole-wrapped biomass-derived carbon nanospheres as cathode materials for lithium-sulfur batteries

    Science.gov (United States)

    Yu, Qiuhong; Lu, Yang; Peng, Tao; Hou, Xiaoyi; Luo, Rongjie; Wang, Yange; Yan, Hailong; Liu, Xianming; Kim, Jang-Kyo; Luo, Yongsong

    2017-03-01

    A promising hybrid material composed of tubular polypyrrole (T-PPy)-wrapped monodisperse biomass-derived carbon nanospheres (BCSs) was first synthesized successfully via a simple hydrothermal approach by using watermelon juice as the carbon source, and further used as an anchoring object for sulfur (S) of lithium-sulfur (Li-S) batteries. The use of BCSs with hydrophilic nature as a framework could provide large interface areas between the active materials and electrolyte, and improve the dispersion of T-PPy, which could help in the active material utilization. As a result, BCS@T-PPy/S as a cathode material exhibited a high capacity of 1143.6 mA h g-1 and delivered a stable capacity up to 685.8 mA h g-1 after 500 cycles at 0.5 C, demonstrating its promising application for rechargeable Li-S batteries.

  10. Effects of hydrophobicity of diffusion layer on the electroreduction of biomass derivatives in polymer electrolyte membrane reactors.

    Science.gov (United States)

    Chen, Wei; He, Gaohong; Ge, Feilong; Xiao, Wu; Benziger, Jay; Wu, Xuemei

    2015-01-01

    For the first time, the hydrophobicity design of a diffusion layer based on the volatility of hydrogenation reactants in aqueous solutions is reported. The hydrophobicity of the diffusion layer greatly influences the hydrogenation performance of two model biomass derivatives, namely, butanone and maleic acid, in polymer electrolyte membrane reactors operated at atmospheric pressure. Hydrophobic carbon paper repels aqueous solutions, but highly volatile butanone can permeate in vapor form and achieve a high hydrogenation rate, whereas, for nonvolatile maleic acid, great mass transfer resistance prevents hydrogenation. With a hydrophilic stainless-steel welded mesh diffusion layer, aqueous solutions of both butanone and maleic acid permeate in liquid form. Hydrogenation of maleic acid reaches a similar level as that of butanone. The maximum reaction rate is 340 nmol cm(-2)  s(-1) for both hydrogenation systems and the current efficiency reaches 70 %. These results are better than those reported in the literature.

  11. Catalytic conversion of renewable biomass resources to fuels and chemicals.

    Science.gov (United States)

    Serrano-Ruiz, Juan Carlos; West, Ryan M; Dumesic, James A

    2010-01-01

    Lignocellulosic biomass is renewable and cheap, and it has the potential to displace fossil fuels in the production of fuels and chemicals. Biomass-derived carboxylic acids are important compounds that can be used as platform molecules for the production of a variety of important chemicals on a large scale. Lactic acid, a prototypical biomass derivative, and levulinic acid, an important chemical feedstock produced by hydrolysis of waste cellulosic materials, can be upgraded using bifunctional catalysts (those containing metal and acid sites), which allows the integration of several transformations (e.g., oxygen removal and C-C coupling) in a single catalyst bed. This coupling between active sites is beneficial in that it reduces the complexity and cost of the biomass conversion processes. Deoxygenation of biomass derivatives is a requisite step for the production of fuels and chemicals, and strategies are proposed to minimize the consumption of hydrogen from an external source during this process.

  12. Dynamic modeling and simulation of air-breathing proton exchange membrane fuel cell

    Energy Technology Data Exchange (ETDEWEB)

    Yalcinoz, T. [Department of Electrical and Computer Engineering, University of South Alabama, Mobile, AL 36688 (United States); Nigde University, Department of Electrical and Electronic Engineering, Nigde 51245 (Turkey); Alam, M.S. [Department of Electrical and Computer Engineering, University of South Alabama, Mobile, AL 36688 (United States)

    2008-07-15

    Small fuel cells have shown excellent potential as alternative energy sources for portable applications. One of the most promising fuel cell technologies for portable applications is air-breathing fuel cells. In this paper, a dynamic model of an air-breathing PEM fuel cell (AB-PEMFC) system is presented. The analytical modeling and simulation of the air-breathing PEM fuel cell system are verified using Matlab, Simulink and SimPowerSystems Blockset. To show the effectiveness of the proposed AB-PEMFC model, two case studies are carried out using the Matlab software package. In the first case study, the dynamic behavior of the proposed AB-PEMFC system is compared with that of a planar air-breathing PEM fuel cell model. In the second case study, the validation of the air-breathing PEM fuel cell-based power source is carried out for the portable application. Test results show that the proposed AB-PEMFC system can be considered as a viable alternative energy sources for portable applications. (author)

  13. Characteristics of the Simulated Dry Recycling Nuclear Fuel Pellets with the Addition of Acrawax as Lubricant

    Energy Technology Data Exchange (ETDEWEB)

    Kim, Woong Ki; Kim, S. S.; Park, G. I.; Lee, Jae W.; Cho, K. H.; Lee, D. Y.; Lee, J. W.; Yang, M. S

    2005-08-15

    In this study, simulated spent PWR fuel pellets with burnup of 35,000 MWd/tU were fabricated by using the UO{sub 2} powder added by the simulated fission products. The simulated dry-recycling-fuel pellets were fabricated by dry recycling fuel fabrication flow including 3 cycle treated OREOX(Oxidation and REduction of OXide fuel) process. Acrawax was added as a lubricant for making green pellets to enhance compactability A small amount of dopant such as lubricant are added to increase compactability of the powder. The green pellets compacted by 200 MPa were sintered at 1700 .deg C for 6 hours under Ar-4%H2 atmosphere. As the results of experiments, the average density of sintered pellets prepared from the powder mixed with Zn stearate was 10.6 g/cm{sup 3}(98.3 % of T.D.), the grain size of the pellets was 10.3 {mu}m. The sintered density of the pellets prepared from the powder mixed with Acrawax ranged 10.41 to 10.53 g/cm{sup 3}(96.5 to 97.7 % of T.D.) The grain size of the pellets with Acrawax ranged from 9.5 to 10.0 {mu}m. The pellets with Acrawax as well as the pellets with Zn stearate met the specifications for CANDU type fuel pellets.

  14. Study of visualized simulation and analysis of nuclear fuel cycle system based on multilevel flow model

    Institute of Scientific and Technical Information of China (English)

    LIU Jing-Quan; YOSHIKAWA Hidekazu; ZHOU Yang-Ping

    2005-01-01

    Complex energy and environment system, especially nuclear fuel cycle system recently raised social concerns about the issues of economic competitiveness, environmental effect and nuclear proliferation. Only under the condition that those conflicting issues are gotten a consensus between stakeholders with different knowledge background, can nuclear power industry be continuingly developed. In this paper, a new analysis platform has been developed to help stakeholders to recognize and analyze various socio-technical issues in the nuclear fuel cycle system based on the functional modeling method named Multilevel Flow Models (MFM) according to the cognition theory of human being. Its character is that MFM models define a set of mass, energy and information flow structures on multiple levels of abstraction to describe the functional structure of a process system and its graphical symbol representation and the means-end and part-whole hierarchical flow structure to make the represented process easy to be understood. Based upon this methodology, a micro-process and a macro-process of nuclear fuel cycle system were selected to be simulated and some analysis processes such as economics analysis, environmental analysis and energy balance analysis related to those flows were also integrated to help stakeholders to understand the process of decision-making with the introduction of some new functions for the improved Multilevel Flow Models Studio, and finally the simple simulation such as spent fuel management process simulation and money flow of nuclear fuel cycle and its levelised cost analysis will be represented as feasible examples.

  15. Development of numerical models for Monte Carlo simulations of Th-Pb fuel assembly

    Directory of Open Access Journals (Sweden)

    Oettingen Mikołaj

    2017-01-01

    Full Text Available The thorium-uranium fuel cycle is a promising alternative against uranium-plutonium fuel cycle, but it demands many advanced research before starting its industrial application in commercial nuclear reactors. The paper presents the development of the thorium-lead (Th-Pb fuel assembly numerical models for the integral irradiation experiments. The Th-Pb assembly consists of a hexagonal array of ThO2 fuel rods and metallic Pb rods. The design of the assembly allows different combinations of rods for various types of irradiations and experimental measurements. The numerical model of the Th-Pb assembly was designed for the numerical simulations with the continuous energy Monte Carlo Burnup code (MCB implemented on the supercomputer Prometheus of the Academic Computer Centre Cyfronet AGH.

  16. WRF fire simulation coupled with a fuel moisture model and smoke transport by WRF-Chem

    CERN Document Server

    Kochanski, Adam K; Mandel, Jan; Kim, Minjeong

    2012-01-01

    We describe two recent additions to WRF coupled with a fire spread model. Fire propagation is strongly dependent on fuel moisture, which in turn depends on the history of the atmosphere. We have implemented a equilibrium time-lag model of fuel moisture driven by WRF variables. The code allows the user to specify fuel parameters, with the defaults calibrated to the Canadian fire danger rating system for 10-hour fuel. The moisture model can run coupled with the atmosphere-fire model, or offline from WRF output to equilibrate the moisture over a period of time and to provide initial moisture conditions for a coupled atmosphere-fire-moisture simulation. The fire model also inserts smoke tracers into WRF-Chem to model the transport of fire emissions. The coupled model is available from OpenWFM.org. An earlier version of the fire model coupled with atmosphere is a part of WRF release.

  17. High power fuel cell simulator based on artificial neural network

    Energy Technology Data Exchange (ETDEWEB)

    Chavez-Ramirez, Abraham U.; Munoz-Guerrero, Roberto [Departamento de Ingenieria Electrica, CINVESTAV-IPN. Av. Instituto Politecnico Nacional No. 2508, D.F. CP 07360 (Mexico); Duron-Torres, S.M. [Unidad Academica de Ciencias Quimicas, Universidad Autonoma de Zacatecas, Campus Siglo XXI, Edif. 6 (Mexico); Ferraro, M.; Brunaccini, G.; Sergi, F.; Antonucci, V. [CNR-ITAE, Via Salita S. Lucia sopra Contesse 5-98126 Messina (Italy); Arriaga, L.G. [Centro de Investigacion y Desarrollo Tecnologico en Electroquimica S.C., Parque Tecnologico Queretaro, Sanfandila, Pedro Escobedo, Queretaro (Mexico)

    2010-11-15

    Artificial Neural Network (ANN) has become a powerful modeling tool for predicting the performance of complex systems with no well-known variable relationships due to the inherent properties. A commercial Polymeric Electrolyte Membrane fuel cell (PEMFC) stack (5 kW) was modeled successfully using this tool, increasing the number of test into the 7 inputs - 2 outputs-dimensional spaces in the shortest time, acquiring only a small amount of experimental data. Some parameters could not be measured easily on the real system in experimental tests; however, by receiving the data from PEMFC, the ANN could be trained to learn the internal relationships that govern this system, and predict its behavior without any physical equations. Confident accuracy was achieved in this work making possible to import this tool to complex systems and applications. (author)

  18. 10 MW research reactor simulation using fuel plate type

    Energy Technology Data Exchange (ETDEWEB)

    Mustafa, M. El Sayed, E-mail: memmm67@yahoo.com [Reactors Department, Nuclear Researches Center, Inshas (Egypt); Shaat, M. [Reactors Department, Nuclear Researches Center, Inshas (Egypt); Kady, M. El [Mechanical Power Engineering Department, Faculty of Engineering, Al Azhar University, Cairo (Egypt)

    2016-04-15

    A computer code was established named ET-RR-1-10 to investigate the thermal hydraulic behavior of the ETRR1 (first Egyptian research reactor) research reactor when its power upgraded to 10 MW using the new fuel plate elements type. The work done include both normal and flow reduction conditions. The code modeled primary loop, secondary lop, and reactor kinetics. All code models used finite difference technique. The code results were tested against the available corresponding experimental data taken from a similar research reactor MITR (Massachusetts Institute of Technology research reactor) for the sake of code validation. The results showed good agreement, and the code can be used for thermal hydraulic calculations.

  19. Simulated coal-gas-fueled molten carbonate fuel cell development program

    Energy Technology Data Exchange (ETDEWEB)

    Johnson, W.H.

    1992-07-01

    In previous work, International Fuel Cells Corporation (EFC) found interactions between molten carbonate fuel cell cathode materials being considered as replacements for the presently used nickel oxide and matrix materials. Consequently, this work was conducted to screen additional new materials for mutual compatibility. As part of this program, experiments were performed to examine the compatibility of several candidate, alternative cathode materials with the standard lithium aluminate matrix material in the presence of electrolyte at cell potentials. Initial cathode candidates were materials lithium ferrite, yttrium iron garnet, lithium manganite and doped ceria which were developed by universities, national laboratories, or contractors to DOE, EPRI, or GRI. These investigations were conducted in laboratory scale experiments. None of the materials tested can directly replace nickel oxide or indicate greater stability of cell performance than afforded by nickel oxide. Specifically: (1) no further work on niobium doped ceria is warranted; (2) cobalt migration was found in the lithium ferrite cathode tested. This could possibly lead to shorting problems similiar to those encountered with nickel oxide; (3) Possible shorting problems may also exist with the proprietary dopant in YIG; (4) lithium ferrite and YIG cathode were not single phase materials. Assessment of the chemical stability, i.e., dopant loss, was severely impeded by dissolution of these second phases in the electrolyte; and (5) Magnesium doped lithium manganite warrants further work. Electrolytes should contain Mg ions to suppress dopant loss.

  20. Simulated coal-gas-fueled molten carbonate fuel cell development program. Topical report: Cathode compatibility tests

    Energy Technology Data Exchange (ETDEWEB)

    Johnson, W.H.

    1992-07-01

    In previous work, International Fuel Cells Corporation (EFC) found interactions between molten carbonate fuel cell cathode materials being considered as replacements for the presently used nickel oxide and matrix materials. Consequently, this work was conducted to screen additional new materials for mutual compatibility. As part of this program, experiments were performed to examine the compatibility of several candidate, alternative cathode materials with the standard lithium aluminate matrix material in the presence of electrolyte at cell potentials. Initial cathode candidates were materials lithium ferrite, yttrium iron garnet, lithium manganite and doped ceria which were developed by universities, national laboratories, or contractors to DOE, EPRI, or GRI. These investigations were conducted in laboratory scale experiments. None of the materials tested can directly replace nickel oxide or indicate greater stability of cell performance than afforded by nickel oxide. Specifically: (1) no further work on niobium doped ceria is warranted; (2) cobalt migration was found in the lithium ferrite cathode tested. This could possibly lead to shorting problems similiar to those encountered with nickel oxide; (3) Possible shorting problems may also exist with the proprietary dopant in YIG; (4) lithium ferrite and YIG cathode were not single phase materials. Assessment of the chemical stability, i.e., dopant loss, was severely impeded by dissolution of these second phases in the electrolyte; and (5) Magnesium doped lithium manganite warrants further work. Electrolytes should contain Mg ions to suppress dopant loss.

  1. V.S.O.P. (99) for WINDOWS and UNIX : computer code system for reactor physics and fuel cycle simulation

    OpenAIRE

    Rütten, H. J.; Haas, K. A.; Brockmann, H.; Ohlig, U.; Scherer, W.

    2000-01-01

    V.S.O.P. is a computer code system for the comprehensive numerical simulation of the physics of thermal reactors. It implies the setup of the reactor and of the fuel element, processing of cross sections, neutron spectrum evaluation, neutron diffusion calculation in two or three dimensions, fuel burnup, fuel shuffling, reactor control, thermal hydraulics and fuel cycle costs. The thermal hydraulics part (steady state and time-dependent) is restricted to HTRs and to two spatial dimensions. The...

  2. V.S.O.P.(97) Computer Code System for Reactor Physics and Fuel Cycle Simulation : Input Manual and Comments

    OpenAIRE

    Rütten, H. J.; Haas, K. A.; Brockmann, H.; Ohlig, U.; Scherer, W.

    1998-01-01

    V.S.O.P. (97) is a computer code system for the comprehensive numerical simulation ofthe physics of thermal reactors. It implies processing ofcross sections, the setup ofthe reactor and ofthe fuel element, repeated neutron spectrum evaluation, neutron diffusion calculation in two or three dimensions, fuel burnup, fuel shuffling, reactor control, thermal hydraulics and fuel cycle costs. The thermal hydraulics part (steady state and time-dependent) is restricted to EM and to two spatial dimensi...

  3. A new air-fuel WSGGM for better utility boiler simulation, design and optimization

    DEFF Research Database (Denmark)

    Yin, Chungen

    in computational fluid dynamics (CFD) simulation of air-fuel combustion processes. The WSGGM coefficients evaluated by Smith et al. (1982) for several partial pressures of CO2 and H2O vapor are often used for gas temperatures up to 2400K, which is supplemented by the coefficient values presented by Coppalle...... and Vervisch (1983) for higher temperatures until 3000K. This paper refines the WSGGM in terms of accuracy, completeness and implementation, and demonstrates the use and impacts of the refined model in CFD simulation of a conventional air-fuel utility boiler.......Radiation is the principal mode of heat transfer in utility boiler furnaces. Models for radiative properties play a vital role in reliable simulations of utility boilers and simulation-based design and optimization. The weighted sum of gray gases model (WSGGM) is one of the most widely used models...

  4. Simulations of H 2O 2 concentration profiles in the water surrounding spent nuclear fuel

    Science.gov (United States)

    Nielsen, Fredrik; Lundahl, Karin; Jonsson, Mats

    2008-01-01

    A simple mathematical model describing the hydrogen peroxide concentration profile in water surrounding a spent nuclear fuel pellet as a function of time has been developed. The water volume is divided into smaller elements, and the processes that affect hydrogen peroxide concentration are applied to each volume element. The model includes production of H 2O 2 from α-radiolysis, surface reaction between H 2O 2 and UO 2 and diffusion. Simulations show that the surface concentration of H 2O 2 increases fairly rapidly and approaches the steady-state concentration. The time to reach steady-state is sufficiently short to be neglected compared to the times of interest when simulating spent fuel dissolution under deep repository conditions. Consequently, the steady-state approach can be used to estimate the rate for radiation-induced spent nuclear fuel dissolution.

  5. Numerical simulation of a direct internal reforming solid oxide fuel cell using computational fluid dynamics methodas

    Institute of Scientific and Technical Information of China (English)

    Jun LI; Ying-wei KANG; Guang-yi CAO; Xin-jian ZHU; Heng-yong TU; Jian LI

    2008-01-01

    A detailed mathematical model of a direct internal reforming solid oxide fuel cell (DIR-SOFC) incorporating with simulation of chemical and physical processes in the fuel cell is presented. The model is developed based on the reforming and electrochemical reaction mechanisms, mass and energy conservation, and heat transfer. A computational fluid dynamics (CFD) method is used for solving the complicated multiple partial differential equations (PDEs) to obtain the numerical approximations.The resulting distributions of chemical species concentrations, temperature and current density in a cross-flow DIR-SOFC are given and analyzed in detail. Further, the influence between distributions of chemical species concentrations, temperature and current density during the simulation is illustrated and discussed. The heat and mass transfer, and the kinetics of reforming and electrochemical reactions have significant effects on the parameter distributions within the cell. The results show the particularchar acteristics of the DIR-SOFC among fuel cells, and can aid in stack design and control.

  6. Simulation of a solar-hydrogen-fuel cell system: results for different locations in Mexico

    Energy Technology Data Exchange (ETDEWEB)

    Torres, L.A.; Rodriguez, F.J.; Sebastian, P.J. [CIE-UNAM, Morelos (Mexico). Centro de Computo

    1998-12-31

    The authors report the results obtained from the simulation of a PV-hydrogen-fuel-cell (PVHFC) hybrid system for different locations in Mexico. The hybrid system consists of photovoltaic arrays coupled with an electrolyzer to produce hydrogen, a fuel cell which converts chemical energy (H{sub 2}) to electricity, a hydrogen storage, a battery storage system, and the load. In this kind of system, all components can be connected electrically in parallel. The voltage of the PV arrays the fuel cell must be high enough to charge the battery, and the voltage of the electrolyzer must be low enough for the battery to power it during periods of low insolation. The simulation is based on the electrical component models and variable insolation data depending on the location. (author)

  7. Utilization of Alternative Fuels in Cement Pyroprocessing : the Messebo Factory case study in Ethiopia

    OpenAIRE

    Ebuy Teka, Axumawi

    2015-01-01

    Energy costs and environmental standards encouraged cement manufacturers worldwide to evaluate to what extent conventional fuels (Furnace oil, Coal and Petcock) can be replaced by alternative fuels in cement production, i.e. biomass or processed waste materials like sewage sludge, MSW (municipal solid waste), Refuse Derived Fuels (RDF), Tire Derived Fuel (TDF), Plastic Derived Fuel (PDF), Biomass Derived Fuels (BDF), meat and bone meal (MBM), etc.  High temperature of >1500 C, long residen...

  8. Large scale experiments simulating hydrogen distribution in a spent fuel pool building during a hypothetical fuel uncovery accident scenario

    Energy Technology Data Exchange (ETDEWEB)

    Mignot, Guillaume; Paranjape, Sidharth; Paladino, Domenico; Jaeckel, Bernd; Rydl, Adolf [Paul Scherrer Institute, Villigen (Switzerland)

    2016-08-15

    Following the Fukushima accident and its extended station blackout, attention was brought to the importance of the spent fuel pools' (SFPs) behavior in case of a prolonged loss of the cooling system. Since then, many analytical works have been performed to estimate the timing of hypothetical fuel uncovery for various SFP types. Experimentally, however, little was done to investigate issues related to the formation of a flammable gas mixture, distribution, and stratification in the SFP building itself and to some extent assess the capability for the code to correctly predict it. This paper presents the main outcomes of the Experiments on Spent Fuel Pool (ESFP) project carried out under the auspices of Swissnuclear (Framework 2012–2013) in the PANDA facility at the Paul Scherrer Institut in Switzerland. It consists of an experimental investigation focused on hydrogen concentration build-up into a SFP building during a predefined scaled scenario for different venting positions. Tests follow a two-phase scenario. Initially steam is released to mimic the boiling of the pool followed by a helium/steam mixture release to simulate the deterioration of the oxidizing spent fuel. Results shows that while the SFP building would mainly be inerted by the presence of a high concentration of steam, the volume located below the level of the pool in adjacent rooms would maintain a high air content. The interface of the two-gas mixture presents the highest risk of flammability. Additionally, it was observed that the gas mixture could become stagnant leading locally to high hydrogen concentration while steam condenses. Overall, the experiments provide relevant information for the potentially hazardous gas distribution formed in the SFP building and hints on accident management and on eventual retrofitting measures to be implemented in the SFP building.

  9. Fuel Effects on Nozzle Flow and Spray Using Fully Coupled Eulerian Simulations

    Science.gov (United States)

    2015-09-01

    atomization and mixing characteristics of non-reacting isothermal diesel engine sprays. An Eulerian modeling approach was adopted to simulate both the...of single and multi-component surrogate fuel mixtures on the atomization and mixing characteristics of non-reacting isothermal diesel engine sprays...simulations and has shown the suitability of several multi-component kerosene surrogates at diesel engine conditions. The measurements were validated

  10. Physical-Mathematical Model for Fixed-Bed Solid Fuel Gasification Process Simulation

    OpenAIRE

    Slyusarskiy Konstantin V.; Korotkikh Alexander G.; Sorokin Ivan V.

    2017-01-01

    Phycial-mathmatical model for fixed-bed coal gasification process simulation is proposed. The heterogeneous carbon oxidation chemical reactions were simulated via Arrhenius equation while homogeneous reactions in gas phase were calculated using Gibbs free energy minimization procedure. The syngas component concentration field and fuel conversion distribution as well as syngas final temperature and composition were defined for fixed bed gasification of T-grade coal of Kuznetskiy deposit. The o...

  11. Results from Tight and Loose Coupled Multiphysics in Nuclear Fuels Performance Simulations using BISON

    Energy Technology Data Exchange (ETDEWEB)

    S. R. Novascone; B. W. Spencer; D. Andrs; R. L. Williamson; J. D. Hales; D. M. Perez

    2013-05-01

    The behavior of nuclear fuel in the reactor environment is affected by multiple physics, most notably heat conduction and solid mechanics, which can have a strong influence on each other. To provide credible solutions, a fuel performance simulation code must have the ability to obtain solutions for each of the physics, including coupling between them. Solution strategies for solving systems of coupled equations can be categorized as loosely-coupled, where the individual physics are solved separately, keeping the solutions for the other physics fixed at each iteration, or tightly coupled, where the nonlinear solver simultaneously drives down the residual for each physics, taking into account the coupling between the physics in each nonlinear iteration. In this paper, we compare the performance of loosely and tightly coupled solution algorithms for thermomechanical problems involving coupled thermal and mechanical contact, which is a primary source of interdependence between thermal and mechanical solutions in fuel performance models. The results indicate that loosely-coupled simulations require significantly more nonlinear iterations, and may lead to convergence trouble when the thermal conductivity of the gap is too small. We also apply the tightly coupled solution strategy to a nuclear fuel simulation of an experiment in a test reactor. Studying the results from these simulations indicates that perhaps convergence for either approach may be problem dependent, i.e., there may be problems for which a loose coupled approach converges, where tightly coupled won’t converge and vice versa.

  12. Detection of the Departure from Nucleate Boiling in Nuclear Fuel Rod Simulators

    Directory of Open Access Journals (Sweden)

    Amir Zacarias Mesquita

    2013-01-01

    Full Text Available In the thermal hydraulic experiments to determin parameters of heat transfer where fuel rod simulators are heated by electric current, the preservation of the simulators is essential when the heat flux goes to the critical point. One of the most important limits in the design of cooling water reactors is the condition in which the heat transfer coefficient by boiling in the core deteriorates itself. The heat flux just before deterioration is denominated critical heat flux (CHF. At this time, the small increase in heat flux or in the refrigerant inlet temperature at the core, or the small decrease in the inlet flux of cooling, results in changes in the heat transfer mechanism. This causes increases in the surface temperature of the fuel elements causing failures at the fuel (burnout. This paper describes the experiments conducted to detect critical heat flux in nuclear fuel element simulators carried out in the thermal-hydraulic laboratory of Nuclear Technology Development Centre (CDTN. It is concluded that the use of displacement transducer is the most efficient technique for detecting critical heat flux in nuclear simulators heated by electric current in open pool.

  13. Direct simulation of liquid water dynamics in the gas channel of a polymer electrolyte fuel cell

    NARCIS (Netherlands)

    Qin, C.; Rensink, D.; Hassanizadeh, S.M.; Fell, S.

    2012-01-01

    For better water management in gas channels (GCs) of polymer electrolyte fuel cells (PEFCs), a profound understanding of the liquid water dynamics is needed. In this study, we propose a novel geometrical setup to conduct a series of direct simulations of the liquid water dynamics in a GC. The conduc

  14. Fission product partitioning in aerosol release from simulated spent nuclear fuel

    NARCIS (Netherlands)

    Di Lemma, F.G.; Colle, J.Y.; Rasmussen, G.; Konings, R.J.M.

    2015-01-01

    Aerosols created by the vaporization of simulated spent nuclear fuel (simfuel) were produced by laser heating techniques and characterised by a wide range of post-analyses. In particular attention has been focused on determining the fission product behaviour in the aerosols, in order to improve the

  15. Scramjet Combustor Simulations Using Reduced Chemical Kinetics for Practical Fuels

    Science.gov (United States)

    2003-12-01

    Stochastic Simulation of an HCCI Engine Using an Automatically Reduced Mechanism,� ICE, Vol. 37-2, 2001 Fall Technical Conference...Christopher J. Montgomery, and Wei Zhao Reaction Engineering International (REI) 77 West 200 South, Suite 210 Salt Lake City, UT 84101 Dean R...DOUGLAS L. DAVIS CAPT. BRIAN C. MCDONALD AFRL/PRAS, Project Engineer Branch Chief Propulsion Sciences Branch Propulsion

  16. Numerical simulation of non-conventional liquid fuels feeding in a bubbling fluidized bed combustor

    Directory of Open Access Journals (Sweden)

    Mladenović Milica R.

    2013-01-01

    Full Text Available The paper deals with the development of mathematical models for detailed simulation of lateral jet penetration into the fluidized bed (FB, primarily from the aspect of feeding of gaseous and liquid fuels into FB furnaces. For that purpose a series of comparisons has been performed between the results of in-house developed procedure- fluid-porous medium numerical simulation of gaseous jet penetration into the fluidized bed, Fluent’s two-fluid Euler-Euler FB simulation model, and experimental results (from the literature of gaseous jet penetration into the 2D FB. The calculation results, using both models, and experimental data are in good agreement. The developed simulation procedures of jet penetration into the FB are applied to the analysis of the effects, which are registered during the experiments on a fluidized pilot furnace with feeding of liquid waste fuels into the bed, and brief description of the experiments is also presented in the paper. Registered effect suggests that the water in the fuel improved mixing of fuel and oxidizer in the FB furnace, by increasing jet penetration into the FB due to sudden evaporation of water at the entry into the furnace. In order to clarify this effect, numerical simulations of jet penetration into the FB with three-phase systems: gas (fuel, oxidizer, and water vapour, bed particles and water, have been carried out. [Projekat Ministarstva nauke Republike Srbije, br. TR33042: Improvement of the industrial fluidized bed facility, in scope of technology for energy efficient and environmentally feasible combustion of various waste materials in the fluidized bed

  17. Modeling, simulation, and concept studies of a fuel cell hybrid electric vehicle powertrain

    Energy Technology Data Exchange (ETDEWEB)

    Oezbek, Markus

    2010-03-29

    This thesis focuses on the development of a fuel cell-based hybrid electric powertrain for smaller (2 kW) hybrid electric vehicles (HEVs). A Hardware-in-the-Loop test rig is designed and built with the possibility to simulate any load profile for HEVs in a realistic environment, whereby the environment is modeled. Detailed simulation models of the test rig are developed and validated to real physical components and control algorithms are designed for the DC/DC-converters and the fuel cell system. A state-feedback controller is developed for the DC/DC-converters where the state-space averaging method is used for the development. For the fuel cells, a gain-scheduling controller based on state feedback is developed and compared to two conventional methods. The design process of an HEV with regard to a given load profile is introduced with comparison between SuperCaps and batteries. The HEV is also evaluated with an introduction to different power management concepts with regard to fuel consumption, dynamics, and fuel cell deterioration rate. The power management methods are implemented in the test rig and compared. (orig.)

  18. Fluid dynamics simulations of a fuel processing system; Stroemungsmechanische Modellierung eines Brenngaserzeugungssystems

    Energy Technology Data Exchange (ETDEWEB)

    Scharf, Florian

    2012-07-01

    The present thesis deals with the topic of the complete fluid dynamic modelling of the key components of a fuel processing system and based on it the development of the next generation reactors. Fuel cell auxilliary power units enable an energy efficient power generation for mobile applications with higher on-board power consumption. Enabling the operation of the fuel cell with the available middle-destillate on-board, the fuel is transformed to an hydrogen-rich gas in a fuel processing system consisting of the key components autothermal reformer, water-shift reactor and catalytic burner. The modules of the fuel processing system are thereby integrated within the reactors to obtain a lightweighted and compact overall system. The complete numerical description of theses systems are based on chemical-reaction models, vaporization models of fuel and water in the integrated reactant treatment and as well on models for the integrated heat-exchanger. The strong interaction between the single reactor zones require therefore modelling of the key components as an overall reactor system. The methodology of the present thesis is based on a tight integration of CFD simulations with experimental analysis and the construction of the reactors. The results of carried out prototype testings, post-mortem-analysis and laboratory experiments are taken as basis for the CFD modelling and the reactor construction. As numerical tool for fluid dynamic modelling the CFD software FLUENT was used. In the context of this thesis the CFD modelling library was extended with the purpose of the complete description of key components in the CFD overall model. In these CFD overall models the thermal interactions between the reactor zones as well as the influence of the pulsating fuel injection and the chemical reactions are taken into account. For this purpose a similarity theoretical CFD modell of the pulsating fuel injection was generated based on results from prototype testings and high

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

    Science.gov (United States)

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

    2014-12-01

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

  20. Numerical simulation of ion transport membrane reactors: Oxygen permeation and transport and fuel conversion

    KAUST Repository

    Hong, Jongsup

    2012-07-01

    Ion transport membrane (ITM) based reactors have been suggested as a novel technology for several applications including fuel reforming and oxy-fuel combustion, which integrates air separation and fuel conversion while reducing complexity and the associated energy penalty. To utilize this technology more effectively, it is necessary to develop a better understanding of the fundamental processes of oxygen transport and fuel conversion in the immediate vicinity of the membrane. In this paper, a numerical model that spatially resolves the gas flow, transport and reactions is presented. The model incorporates detailed gas phase chemistry and transport. The model is used to express the oxygen permeation flux in terms of the oxygen concentrations at the membrane surface given data on the bulk concentration, which is necessary for cases when mass transfer limitations on the permeate side are important and for reactive flow modeling. The simulation results show the dependence of oxygen transport and fuel conversion on the geometry and flow parameters including the membrane temperature, feed and sweep gas flow, oxygen concentration in the feed and fuel concentration in the sweep gas. © 2012 Elsevier B.V.

  1. Preliminary Experimental Results of Integrated Gasification Fuel Cell Operation Using Hardware Simulation

    Energy Technology Data Exchange (ETDEWEB)

    Traverso, Alberto; Tucker, David; Haynes, Comas L.

    2012-07-01

    A newly developed integrated gasification fuel cell (IGFC) hybrid system concept has been tested using the Hybrid Performance (Hyper) project hardware-based simulation facility at the U.S. Department of Energy, National Energy Technology Laboratory. The cathode-loop hardware facility, previously connected to the real-time fuel cell model, was integrated with a real-time model of a gasifier of solid (biomass and fossil) fuel. The fuel cells are operated at the compressor delivery pressure, and they are fueled by an updraft atmospheric gasifier, through the syngas conditioning train for tar removal and syngas compression. The system was brought to steady state; then several perturbations in open loop (variable speed) and closed loop (constant speed) were performed in order to characterize the IGFC behavior. Coupled experiments and computations have shown the feasibility of relatively fast control of the plant as well as a possible mitigation strategy to reduce the thermal stress on the fuel cells as a consequence of load variation and change in gasifier operating conditions. Results also provided an insight into the different features of variable versus constant speed operation of the gas turbine section.

  2. Inclusion of models to describe severe accident conditions in the fuel simulation code DIONISIO

    Energy Technology Data Exchange (ETDEWEB)

    Lemes, Martín; Soba, Alejandro [Sección Códigos y Modelos, Gerencia Ciclo del Combustible Nuclear, Comisión Nacional de Energía Atómica, Avenida General Paz 1499, 1650 San Martín, Provincia de Buenos Aires (Argentina); Daverio, Hernando [Gerencia Reactores y Centrales Nucleares, Comisión Nacional de Energía Atómica, Avenida General Paz 1499, 1650 San Martín, Provincia de Buenos Aires (Argentina); Denis, Alicia [Sección Códigos y Modelos, Gerencia Ciclo del Combustible Nuclear, Comisión Nacional de Energía Atómica, Avenida General Paz 1499, 1650 San Martín, Provincia de Buenos Aires (Argentina)

    2017-04-15

    The simulation of fuel rod behavior is a complex task that demands not only accurate models to describe the numerous phenomena occurring in the pellet, cladding and internal rod atmosphere but also an adequate interconnection between them. In the last years several models have been incorporated to the DIONISIO code with the purpose of increasing its precision and reliability. After the regrettable events at Fukushima, the need for codes capable of simulating nuclear fuels under accident conditions has come forth. Heat removal occurs in a quite different way than during normal operation and this fact determines a completely new set of conditions for the fuel materials. A detailed description of the different regimes the coolant may exhibit in such a wide variety of scenarios requires a thermal-hydraulic formulation not suitable to be included in a fuel performance code. Moreover, there exist a number of reliable and famous codes that perform this task. Nevertheless, and keeping in mind the purpose of building a code focused on the fuel behavior, a subroutine was developed for the DIONISIO code that performs a simplified analysis of the coolant in a PWR, restricted to the more representative situations and provides to the fuel simulation the boundary conditions necessary to reproduce accidental situations. In the present work this subroutine is described and the results of different comparisons with experimental data and with thermal-hydraulic codes are offered. It is verified that, in spite of its comparative simplicity, the predictions of this module of DIONISIO do not differ significantly from those of the specific, complex codes.

  3. Multivariable Robust Control of a Simulated Hybrid Solid Oxide Fuel Cell Gas Turbine Plant

    Energy Technology Data Exchange (ETDEWEB)

    Tsai A, Banta L, Tucker D

    2010-08-01

    This work presents a systematic approach to the multivariable robust control of a hybrid fuel cell gas turbine plant. The hybrid configuration under investigation built by the National Energy Technology Laboratory comprises a physical simulation of a 300kW fuel cell coupled to a 120kW auxiliary power unit single spool gas turbine. The public facility provides for the testing and simulation of different fuel cell models that in turn help identify the key difficulties encountered in the transient operation of such systems. An empirical model of the built facility comprising a simulated fuel cell cathode volume and balance of plant components is derived via frequency response data. Through the modulation of various airflow bypass valves within the hybrid configuration, Bode plots are used to derive key input/output interactions in transfer function format. A multivariate system is then built from individual transfer functions, creating a matrix that serves as the nominal plant in an H{sub {infinity}} robust control algorithm. The controller’s main objective is to track and maintain hybrid operational constraints in the fuel cell’s cathode airflow, and the turbo machinery states of temperature and speed, under transient disturbances. This algorithm is then tested on a Simulink/MatLab platform for various perturbations of load and fuel cell heat effluence. As a complementary tool to the aforementioned empirical plant, a nonlinear analytical model faithful to the existing process and instrumentation arrangement is evaluated and designed in the Simulink environment. This parallel task intends to serve as a building block to scalable hybrid configurations that might require a more detailed nonlinear representation for a wide variety of controller schemes and hardware implementations.

  4. Experiments and simulations of NOx formation in the combustion of hydroxylated fuels

    KAUST Repository

    Bohon, Myles

    2015-06-01

    This work investigates the influence of molecular structure in hydroxylated fuels (i.e. fuels with one or more hydroxyl groups), such as alcohols and polyols, on NOx formation. The fuels studied are three lower alcohols (methanol, ethanol, and n-propanol), two diols (1,2-ethanediol and 1,2-propanediol), and one triol (1,2,3-propanetriol); all of which are liquids at room temperature and span a wide range of thermophysical properties. Experimental stack emissions measurements of NO/NO2, CO, and CO2 and flame temperature profiles utilizing a rake of thermocouples were obtained in globally lean, swirling, liquid atomized spray flames inside a refractory-lined combustion chamber as a function of the atomizing air flow rate and swirl number. These experiments show significantly lower NOx formation with increasing fuel oxygen content despite similarities in the flame temperature profiles. By controlling the temperature profiles, the contribution to NOx formation through the thermal mechanism were matched, and variations in the contribution through non-thermal NOx formation pathways are observed. Simulations in a perfectly stirred reactor, at conditions representative of those measured within the combustion region, were conducted as a function of temperature and equivalence ratio. The simulations employed a detailed high temperature chemical kinetic model for NOx formation from hydroxylated fuels developed based on recent alcohol combustion models and extended to include polyol combustion chemistry. These simulations provide a qualitative comparison to the range of temperatures and equivalence ratios observed in complex swirling flows and provide insight into the influence of variations in the fuel decomposition pathways on NOx formation. It is observed that increasing the fuel bound oxygen concentration ultimately reduces the formation of NOx by increasing the proportion of fuel oxidized through formaldehyde, as opposed to acetylene or acetaldehyde

  5. Simulation of isothermal multi-phase fuel-coolant interaction using MPS method with GPU acceleration

    Energy Technology Data Exchange (ETDEWEB)

    Gou, W.; Zhang, S.; Zheng, Y. [Zhejiang Univ., Hangzhou (China). Center for Engineering and Scientific Computation

    2016-07-15

    The energetic fuel-coolant interaction (FCI) has been one of the primary safety concerns in nuclear power plants. Graphical processing unit (GPU) implementation of the moving particle semi-implicit (MPS) method is presented and used to simulate the fuel coolant interaction problem. The governing equations are discretized with the particle interaction model of MPS. Detailed implementation on single-GPU is introduced. The three-dimensional broken dam is simulated to verify the developed GPU acceleration MPS method. The proposed GPU acceleration algorithm and developed code are then used to simulate the FCI problem. As a summary of results, the developed GPU-MPS method showed a good agreement with the experimental observation and theoretical prediction.

  6. Computer Simulations of Composite Electrodes in Solid-Oxide Fuel-Cells

    Energy Technology Data Exchange (ETDEWEB)

    Sunde, Svein

    1999-07-01

    aspects of structure and composition. The thesis is composed of the five papers: (A) Calculation of conductivity and polarization resistance of composite SOFC-electrodes from random resistor networks, (B) Monte Carlo Simulations of Conductivity of Composite Electrodes for Solid Oxide Fuel Cells, (C) Monte Carlo Simulations of the Polarization Resistance of Composite Electrodes for Solid Oxide Fuel Cells (D) Calculations of Impedance of Composite Modes for Solid Oxide Fuel Cells (E) Simulations of Composite Electrodes in Fuel Cells. The major results are: (1) A Monte Carlo method is constructed for electrochemical applications, (2) The Monte Carlo simulations of conductivity with respect to its dependence on composition and temperature are validated quantitatively with respect to experimental results (papers A, B and E), (3) The Monte Carlo method is validated qualitatively with respect polarisation resistance and its thickness dependence (papers A, C, and E), (Considerable scatter in the experimental results prevents a more strict quantitative evaluation of the model.), (4) A dependence of the percolation threshold on particle size in the composite is suggested as a major reason for electrode deactivation in fuel cells employing composite electrodes in which particle aggregation occur (paper B), (5) The range of compositions within which there will be a thickness dependence of the polarisation resistance is calculated as a function of relative ratio of particle radii (paper C), (6) The shapes of impedance-plane plots for composite electrodes will usually differ significantly from their point-contact counterparts exclusively for reasons related structure (paper D), (7) The macroscopic porous-electrode theory is adapted for composite electrodes (papers C and E), (8) A model for internal reforming of methane at a composite fuel-cell anode is formulated, based on the macroscopic porous-electrode theory (paper E). The model includes a description of gas-phase transport and non

  7. Simulations of a PSD Plastic Neutron Collar for Assaying Fresh Fuel

    Energy Technology Data Exchange (ETDEWEB)

    Hausladen, Paul [Oak Ridge National Lab. (ORNL), Oak Ridge, TN (United States); Newby, Jason [Oak Ridge National Lab. (ORNL), Oak Ridge, TN (United States); McElroy, Robert Dennis [Oak Ridge National Lab. (ORNL), Oak Ridge, TN (United States)

    2016-11-01

    The potential performance of a notional active coincidence collar for assaying uranium fuel based on segmented detectors constructed from the new PSD plastic fast organic scintillator with pulse shape discrimination capability was investigated in simulation. Like the International Atomic Energy Agency s present Uranium Neutron Collar for LEU (UNCL), the PSD plastic collar would also function by stimulating fission in the 235U content of the fuel with a moderated 241Am/Li neutron source and detecting instances of induced fission via neutron coincidence counting. In contrast to the moderated detectors of the UNCL, the fast time scale of detection in the scintillator eliminates statistical errors due to accidental coincidences that limit the performance of the UNCL. However, the potential to detect a single neutron multiple times historically has been one of the properties of organic scintillator detectors that has prevented their adoption for international safeguards applications. Consequently, as part of the analysis of simulated data, a method was developed by which true neutron-neutron coincidences can be distinguished from inter-detector scatter that takes advantage of the position and timing resolution of segmented detectors. Then, the performance of the notional simulated coincidence collar was evaluated for assaying a variety of fresh fuels, including some containing burnable poisons and partial defects. In these simulations, particular attention was paid to the analysis of fast mode measurements. In fast mode, a Cd liner is placed inside the collar to shield the fuel from the interrogating source and detector moderators, thereby eliminating the thermal neutron flux that is most sensitive to the presence of burnable poisons that are ubiquitous in modern nuclear fuels. The simulations indicate that the predicted precision of fast mode measurements is similar to what can be achieved by the present UNCL in thermal mode. For example, the statistical accuracy of a

  8. Experiment on the improvement of sinterability for dry recycling nuclear fuel pellets by using simulated spent PWR fuel of high burnup

    Energy Technology Data Exchange (ETDEWEB)

    Kim, Woong Ki; Kim, S. S.; Park, G. I.; Lee, Jae W.; Cho, K. H.; Lee, D. Y.; Lee, Y. S.; Lee, J. W.; Yang, M. S.; Shin, W. C

    2004-09-01

    To study the fabrication characteristics of dry recycling nuclear fuel using spent PWR fuel with high burnup of 60,000 MWd/tU, the fission products of spent PWR fuel was analyzed by ORIGEN-2 code. Simulated spent PWR fuel pellets were fabricated by using UO{sub 2} powder added by the simulated fission products. The simulated dry-recycling-fuel pellets were fabricated by dry recycling fuel fabrication flow including 3 cycle treated OREOX(Oxidation and REduction of OXide fuel) process. A small amount of dopant such as TiO{sub 2}, Nb{sub 2}O{sub 5}, Li{sub 2}O are added to increase sinterability of the OREOX treated powder. As the results of experiments, the densities of sintered pellets without dopant ranged from 10.04 to 10.34 g/cm{sup 3}(94.3 to 97.1% of T.D.), the grain size of the pellets ranged from 3 to 4 {mu}m. The sintered density of the pellets with TiO{sub 2} or Nb{sub 2}O{sub 5} ranged from 10.46 to 10.32 g/cm{sup 3}(98.2 to 96.9 % of T.D.) The grain size of the pellets with TiO{sub 2}, Nb{sub 2}O{sub 5} or Li{sub 2}O ranged from 7.3 to 12.2 {mu}m.

  9. Accelerated Degradation for Hardware in the Loop Simulation of Fuel Cell-Gas Turbine Hybrid System

    DEFF Research Database (Denmark)

    Abreu-Sepulveda, Maria A.; Harun, Nor Farida; Hackett, Gregory

    2015-01-01

    The U.S. Department of Energy (DOE)-National Energy Technology Laboratory (NETL) in Morgantown, WV has developed the hybrid performance (HyPer) project in which a solid oxide fuel cell (SOFC) one-dimensional (1D), real-time operating model is coupled to a gas turbine hardware system by utilizing...... hardware-in-the-loop simulation. To assess the long-term stability of the SOFC part of the system, electrochemical degradation due to operating conditions such as current density and fuel utilization have been incorporated into the SOFC model and successfully recreated in real time. The mathematical...... expression for degradation rate was obtained through the analysis of empirical voltage versus time plots for different current densities and fuel utilizations....

  10. Fabrication of simulated plate fuel elements: Defining role of out-of-plane residual shear stress

    Science.gov (United States)

    Rakesh, R.; Kohli, D.; Sinha, V. P.; Prasad, G. J.; Samajdar, I.

    2014-02-01

    Bond strength and microstructural developments were investigated during fabrication of simulated plate fuel elements. The study involved roll bonding of aluminum-aluminum (case A) and aluminum-aluminum + yttria (Y2O3) dispersion (case B). Case B approximated aluminum-uranium silicide (U3Si2) 'fuel-meat' in an actual plate fuel. Samples after different stages of fabrication, hot and cold rolling, were investigated through peel and pull tests, micro-hardness, residual stresses, electron and micro-focus X-ray diffraction. Measurements revealed a clear drop in bond strength during cold rolling: an observation unique to case B. This was related to significant increase in 'out-of-plane' residual shear stresses near the clad/dispersion interface, and not from visible signatures of microstructural heterogeneities.

  11. Modeling and simulation of the anode in direct ethanol fuels cells

    Energy Technology Data Exchange (ETDEWEB)

    Sousa, Ruy Jr.; dos Anjos, Daniela Marques [Instituto de Quimica de Sao Carlos, Universidade de Sao Paulo, Av. Trabalhador Saocarlense, 400, C. P. 780, 13560-970 Sao Carlos, SP (Brazil); Laboratoire de Catalyse en Chimie Organique, Universite de Poitiers, 40, Av. du Recteur Pineau, 86022 Poitiers (France); Tremiliosi-Filho, Germano; Gonzalez, Ernesto Rafael [Instituto de Quimica de Sao Carlos, Universidade de Sao Paulo, Av. Trabalhador Saocarlense, 400, C. P. 780, 13560-970 Sao Carlos, SP (Brazil); Coutanceau, Christophe; Sibert, Eric; Leger, Jean-Michel; Kokoh, Kouakou Boniface [Laboratoire de Catalyse en Chimie Organique, Universite de Poitiers, 40, Av. du Recteur Pineau, 86022 Poitiers (France)

    2008-05-15

    Mathematical modeling has been extensively applied to the study and development of fuel cells. In this work, the objective is to characterize a mechanistic model for the anode of a direct ethanol fuel cell and perform appropriate simulations. The software Comsol Multiphysics {sup registered} (and the Chemical Engineering Module) was used in this work. The software Comsol Multiphysics {sup registered} is an interactive environment for modeling scientific and engineering applications using partial differential equations (PDEs). Based on the finite element method, it provides speed and accuracy for several applications. The mechanistic model developed here can supply details of the physical system, such as the concentration profiles of the components within the anode and the coverage of the adsorbed species on the electrode surface. Also, the anode overpotential-current relationship can be obtained. To validate the anode model presented in this paper, experimental data obtained with a single fuel cell operating with an ethanol solution at the anode were used. (author)

  12. Numerical simulation of mass and energy transport phenomena in solid oxide fuel cells

    Energy Technology Data Exchange (ETDEWEB)

    Arpino, F. [Dipartimento di Meccanica, Strutture, Ambiente e Territorio (DiMSAT), University of Cassino, via Di Biasio 43, Cassino (Italy); Massarotti, N. [Dipertimento per le Tecnologie (DiT), University of Naples ' ' Parthenope' ' , Centro Direzionale, isola C4, 80143 Napoli (Italy)

    2009-12-15

    Solid Oxide Fuel Cells (SOFCs) represent a very promising technology for near future energy conversion thanks to a number of advantages, including the possibility of using different fuels. In this paper, a detailed numerical model, based on a general mathematical description and on a finite element Characteristic based Split (CBS) algorithm code is employed to simulate mass and energy transport phenomena in SOFCs. The model predicts the thermodynamic quantity of interest in the fuel cell. Full details of the numerical solution obtained are presented both in terms of heat and mass transfer in the cell and in terms of electro-chemical reactions that occur in the system considered. The results obtained with the present algorithm is compared with the experimental data available in the literature for validation, showing an excellent agreement. (author)

  13. Laser pulse heating of nuclear fuels for simulation of reactor power transients

    Indian Academy of Sciences (India)

    C S Viswanadham; K C Sahoo; T R G Kutty; K B Khan; V P Jathar; S Anantharaman; Arun Kumar; G K Dey

    2010-12-01

    It is important to study the behaviour of nuclear fuels under transient heating conditions from the point of view of nuclear safety. To simulate the transient heating conditions occurring in the known reactor accidents like loss of coolant accident (LOCA) and reactivity initiated accident (RIA), a laser pulse heating system is under development at BARC, Mumbai. As a prelude to work on irradiated nuclear fuel specimens, pilot studies on unirradiated UO2 fuel specimens were carried out. A laser pulse was used to heat specimens of UO2 held inside a chamber with an optically transparent glass window. Later, these specimens were analysed by metallography and X-ray diffraction. This paper describes the results of these studies.

  14. Large Scale Experiments Simulating Hydrogen Distribution in a Spent Fuel Pool Building During a Hypothetical Fuel Uncovery Accident Scenario

    Directory of Open Access Journals (Sweden)

    Guillaume Mignot

    2016-08-01

    This paper presents the main outcomes of the Experiments on Spent Fuel Pool (ESFP project carried out under the auspices of Swissnuclear (Framework 2012–2013 in the PANDA facility at the Paul Scherrer Institut in Switzerland. It consists of an experimental investigation focused on hydrogen concentration build-up into a SFP building during a predefined scaled scenario for different venting positions. Tests follow a two-phase scenario. Initially steam is released to mimic the boiling of the pool followed by a helium/steam mixture release to simulate the deterioration of the oxidizing spent fuel. Results shows that while the SFP building would mainly be inerted by the presence of a high concentration of steam, the volume located below the level of the pool in adjacent rooms would maintain a high air content. The interface of the two-gas mixture presents the highest risk of flammability. Additionally, it was observed that the gas mixture could become stagnant leading locally to high hydrogen concentration while steam condenses. Overall, the experiments provide relevant information for the potentially hazardous gas distribution formed in the SFP building and hints on accident management and on eventual retrofitting measures to be implemented in the SFP building.

  15. The simulation of mechanical and thermal behaviour of CANDU fuel channel in thermal transient conditions

    Energy Technology Data Exchange (ETDEWEB)

    Maria Mihalache; Vasile Radu; Margarit Pavelescu [INR-Pitesti (Romania)

    2006-07-01

    Full text of publication follows: In certain LOCA conditions in a CANDU-6 NPP (high temperature and high pressure), the pressure tube of fuel channel may balloon by creep into contact with the calandria tube. After the contact moment, a radial heat transfer to the moderator through the contact area is occurring. When the temperature of calandria tube walls increases, the contact area is drying and the heat transfer becomes inefficiently. Thus, the fuel channel could lose its integrity. This paper presents a computer code, DELOCA, developed in INR-Pitesti, which simulate the transient thermo-mechanical behaviour of CANDU fuel channel before and after contact. The code contains few models: alloy creep, heat transfer by conduction through the cylindrical walls, channel failure criteria and calculus of heat transfer at the calandria tube - moderator interface. This code evaluates the contact, dry-out and channel failure moments. In this paper, the simulation results calculated at different temperature increasing rates are presented. Also, the contact moments in different axial-circumferential segments for the postulated accident Rupture of Inlet Header of 5% (RIH5%) were presented. The simulations predict the strain and stress state in the circumferential-axial elements. The input data was furnished by the Cathena thermo-hydraulic code. Also, the results of RIH5% accident are presented in comparison with the results of same simulation with Cathena Code. (authors)

  16. Characterizing high-temperature deformation of internally heated nuclear fuel element simulators

    Energy Technology Data Exchange (ETDEWEB)

    Belov, A.I.; Fong, R.W.L.; Leitch, B.W.; Nitheanandan, T.; Williams, A., E-mail: alexander.belov@cnl.ca [Canadian Nuclear Laboratories, Chalk River, Ontario (Canada)

    2016-06-15

    The sag behaviour of a simulated nuclear fuel element during high-temperature transients has been investigated in an experiment utilizing an internal indirect heating method. The major motivation of the experiment was to improve understanding of the dominant mechanisms underlying the element thermo-mechanical response under loss-of-coolant accident conditions and to obtain accurate experimental data to support development of 3-D computational fuel element models. The experiment was conducted using an electrically heated CANDU fuel element simulator. Three consecutive thermal cycles with peak temperatures up to ≈1000 {sup o}C were applied to the element. The element sag deflections and sheath temperatures were measured. On heating up to 600 {sup o}C, only minor lateral deflections of the element were observed. Further heating to above 700 {sup o}C resulted in an element multi-rate creep and significant permanent bow. Post-test visual and X-ray examinations revealed a pronounced necking of the sheath at the pellet-to-pellet interface locations. A wall thickness reduction was detected in the necked region that is interpreted as a sheath longitudinal strain localization effect. The sheath cross-sectioning showed signs of a 'hard' pellet-cladding interaction due to the applied cycles. A 3-D model of the experiment was generated using the ANSYS finite element code. As a fully coupled thermal mechanical simulation is computationally expensive, it was deemed sufficient to use the measured sheath temperatures as a boundary condition, and thus an uncoupled mechanical simulation only was conducted. The ANSYS simulation results match the experiment sag observations well up to the point at which the fuel element started cooling down. (author)

  17. Dynamic fuel cell stack model for real-time simulation based on system identification

    Energy Technology Data Exchange (ETDEWEB)

    Meiler, M.; Schmid, O.; Schudy, M. [Department of MEA and Stack Technology, DaimlerChrysler AG, Neue Str. 95, D-73230 Kirchheim/Teck (Germany); Hofer, E.P. [Department of Measurement, Control and Microtechnology, University of Ulm, Albert-Einstein-Allee 41, D-89081 Ulm (Germany)

    2008-02-01

    The authors have been developing an empirical mathematical model to predict the dynamic behaviour of a polymer electrolyte membrane fuel cell (PEMFC) stack. Today there is a great number of models, describing steady-state behaviour of fuel cells by estimating the equilibrium voltage for a certain set of operating parameters, but models capable of predicting the transient process between two steady-state points are rare. However, in automotive applications round about 80% of operating situations are dynamic. To improve the reliability of fuel cell systems by model-based control for real-time simulation dynamic fuel cell stack model is needed. Physical motivated models, described by differential equations, usually are complex and need a lot of computing time. To meet the real-time capability the focus is set on empirical models. Fuel cells are highly nonlinear systems, so often used auto-regressive (AR), output-error (OE) or Box-Jenkins (BJ) models do not accomplish satisfying accuracy. Best results are achieved by splitting the behaviour into a nonlinear static and a linear dynamic subsystem, a so-called Uryson-Model. For system identification and model validation load steps with different amplitudes are applied to the fuel cell stack at various operation points and the voltage response is recorded. The presented model is implemented in MATLAB environment and has a computing time of less than 1 ms per step on a standard desktop computer with a 2.8 MHz CPU and 504 MB RAM. Lab tests are carried out at DaimlerChrysler R and D Centre with DaimlerChrysler PEMFC hardware and a good agreement is found between model simulations and lab tests. (author)

  18. Dynamic fuel cell stack model for real-time simulation based on system identification

    Science.gov (United States)

    Meiler, M.; Schmid, O.; Schudy, M.; Hofer, E. P.

    The authors have been developing an empirical mathematical model to predict the dynamic behaviour of a polymer electrolyte membrane fuel cell (PEMFC) stack. Today there is a great number of models, describing steady-state behaviour of fuel cells by estimating the equilibrium voltage for a certain set of operating parameters, but models capable of predicting the transient process between two steady-state points are rare. However, in automotive applications round about 80% of operating situations are dynamic. To improve the reliability of fuel cell systems by model-based control for real-time simulation dynamic fuel cell stack model is needed. Physical motivated models, described by differential equations, usually are complex and need a lot of computing time. To meet the real-time capability the focus is set on empirical models. Fuel cells are highly nonlinear systems, so often used auto-regressive (AR), output-error (OE) or Box-Jenkins (BJ) models do not accomplish satisfying accuracy. Best results are achieved by splitting the behaviour into a nonlinear static and a linear dynamic subsystem, a so-called Uryson-Model. For system identification and model validation load steps with different amplitudes are applied to the fuel cell stack at various operation points and the voltage response is recorded. The presented model is implemented in MATLAB environment and has a computing time of less than 1 ms per step on a standard desktop computer with a 2.8 MHz CPU and 504 MB RAM. Lab tests are carried out at DaimlerChrysler R&D Centre with DaimlerChrysler PEMFC hardware and a good agreement is found between model simulations and lab tests.

  19. Improving biomass-derived carbon by activation with nitrogen and cobalt for supercapacitors and oxygen reduction reaction

    Science.gov (United States)

    Zhang, Man; Jin, Xin; Wang, Linan; Sun, Mengjia; Tang, Yang; Chen, Yongmei; Sun, Yanzhi; Yang, Xiaojin; Wan, Pingyu

    2017-07-01

    Biomass-derived carbon by activation with nitrogen and cobalt (denoted as NPACCo) was prepared by one-pot pyrolysis of pomelo peel with melamine, cobalt nitrate and potassium hydroxide, followed by acid leaching. NPACCo possesses high content of quaternary-N (2.5%) and pyridinic-N (1.7%), co-existences of amorphous and short-range ordered carbon, high specific surface area and pore structure with majority of micropores and small mesopores. As electrode material of supercapacitors, NPACCo exhibits high specific capacitance and good rate capability. At ultrahigh rate of 50 A g-1 (135 mA cm-2), the capacitance of NPACCo remains 246 F g-1, which is 6.3, 1.9 and 3.2 times as high as that of other three materials (PC, PAC and NPAC). The as-assembled symmetric supercapacitor of NPACCo delivers high energy density, high power density and excellent cycling stability. With respect to oxygen reduction reaction (ORR), NPACCo exhibits high onset potential (0.87 V), high half-wave potential (0.78 V), excellent methanol tolerance and low yield of H2O2. The ORR properties of NPACCo are comparable or superior to those of commercial Pt/C. This investigation of pomelo peel-based NPACCo would be valuable for development of both supercapacitor and ORR.

  20. Dual Tuning of Biomass-Derived Hierarchical Carbon Nanostructures for Supercapacitors: the Role of Balanced Meso/Microporosity and Graphene

    Science.gov (United States)

    Zhu, Zhengju; Jiang, Hao; Guo, Shaojun; Cheng, Qilin; Hu, Yanjie; Li, Chunzhong

    2015-01-01

    Rational design of advanced carbon nanomaterials with a balanced mesoporosity to microporosity is highly desirable for achieving high energy/power density for supercapacitors because the mesopore can allow better transport pathways for the solvated ions of larger than 1 nm. Inspired by the inherent meso/macroporous architecture and huge absorption ability to aqueous solution of auricularia biomass, we demonstrate a new biomass-derived synthesis process for the three-dimensional (3D) few-layered graphene nanosheets incorporated hierarchical porous carbon (GHPC) nanohybrids. The as-prepared GHPC nanohybrids possess a balanced mesoporosity to microporosity with much improved conductivity, which is highly desirable for achieving high energy/power density for supercapacitors. As we predicted, they delivered a high specific capacitance of 256 F g−1 at 1 A g−1 with excellent rate capability (120 F g−1 at 50 A g−1) and long cycle life (92% capacity retention after 10000 cycles) for symmetric supercapacitors in 1 M H2SO4. Based on the as-obtained carbon materials, a flexible and all-solid-state supercapacitor was also assembled, which can be fully recharged within 10 s and able to light an LED even under bended state. Such excellent performance is at least comparable to the best reports in the literature for two-electrode configuration under aqueous systems. PMID:26515442

  1. Regenerable Subnanometer Pd Clusters on Zirconia for Highly Selective Hydrogenation of Biomass-Derived Succinic Acid in Water

    Directory of Open Access Journals (Sweden)

    Chi Zhang

    2016-07-01

    Full Text Available The size of metal particles is an important factor to determine the performance of the supported metal catalysts. In this work, we report subnanometer Pd clusters supported on zirconia by the microwave-assisted hydrothermal method. The presence of subnanometer Pd clusters on the zirconia surface was confirmed by two-dimensional Gaussian-function fits of the aberration-corrected high-angle annual dark-field images. These subnanometer Pd catalysts exhibit high catalytic performance for the hydrogenation of biomass-derived succinic acid to γ-butyrolactone in water and avoid the formation of overhydrogenated products, such as 1,4-butanediol and tetrahydrofuran. The catalyst with an ultra-low Pd loading of 0.2 wt. % demonstrated high selectivity (95% for γ-butyrolactone using water as a solvent at 473 K and 10 MPa. Moreover, it can be reused at least six times without the loss of catalytic activity, illustrating high performance of the small Pd clusters.

  2. Numerical Simulation of Electric Controlled Injection Device Equipped on Gas Fuel Engine

    Directory of Open Access Journals (Sweden)

    Wenqing Ge

    2014-07-01

    Full Text Available Since there exist the problems of engine temping and combustion instability on the heavy-duty gas fuel engine based on single-point injection system, an electronically controlled multi-point injection system utilizing moving-coil electromagnetic linear actuator and mushrooms type valve structure was developed. The influence mechanism to gas fuel intake and mixing process caused by injection pulse width and installation site of the injection device was determined by the established CFD numerical simulation model. And the related experimental researches are completed. The results showed that the injection pulse width between 360ºCA to 450ºCA could not only realize sufficient fuel gas intake, but also avoid fuel wastage during engine’s scavenging period.  Furthermore, the injection devices should be installed adjacent to combustion chambers, which could avoid the injected gas fuel from being sucked into other intake manifolds and ensure it to flow into cylinders more adequately. The self-developed electronically controlled multi-point injection system could solve the problems of the engine tempering and combustion instability.

  3. Design of efficient catalysts for gasification of biomass-derived waste streams in hot compressed water. Towards industrial applicability.

    NARCIS (Netherlands)

    Vlieger, de D.J.M.

    2013-01-01

    The energy required for the globalized living standards of our society depends currently on fossil fuels. The availability and use of fossil fuels were taken for granted during the last century, but depletion of cheap oil and the environmental concerns related to combustion of fossil fuels force us

  4. Design of efficient catalysts for gasification of biomass-derived waste streams in hot compressed water. Towards industrial applicability.

    NARCIS (Netherlands)

    de Vlieger, Dennis

    2013-01-01

    The energy required for the globalized living standards of our society depends currently on fossil fuels. The availability and use of fossil fuels were taken for granted during the last century, but depletion of cheap oil and the environmental concerns related to combustion of fossil fuels force us

  5. Large-eddy simulation, fuel rod vibration and grid-to-rod fretting in pressurized water reactors

    Science.gov (United States)

    Christon, Mark A.; Lu, Roger; Bakosi, Jozsef; Nadiga, Balasubramanya T.; Karoutas, Zeses; Berndt, Markus

    2016-10-01

    Grid-to-rod fretting (GTRF) in pressurized water reactors is a flow-induced vibration phenomenon that results in wear and fretting of the cladding material on fuel rods. GTRF is responsible for over 70% of the fuel failures in pressurized water reactors in the United States. Predicting the GTRF wear and concomitant interval between failures is important because of the large costs associated with reactor shutdown and replacement of fuel rod assemblies. The GTRF-induced wear process involves turbulent flow, mechanical vibration, tribology, and time-varying irradiated material properties in complex fuel assembly geometries. This paper presents a new approach for predicting GTRF induced fuel rod wear that uses high-resolution implicit large-eddy simulation to drive nonlinear transient dynamics computations. The GTRF fluid-structure problem is separated into the simulation of the turbulent flow field in the complex-geometry fuel-rod bundles using implicit large-eddy simulation, the calculation of statistics of the resulting fluctuating structural forces, and the nonlinear transient dynamics analysis of the fuel rod. Ultimately, the methods developed here, can be used, in conjunction with operational management, to improve reactor core designs in which fuel rod failures are minimized or potentially eliminated. Robustness of the behavior of both the structural forces computed from the turbulent flow simulations and the results from the transient dynamics analyses highlight the progress made towards achieving a predictive simulation capability for the GTRF problem.

  6. Simulations and measurements of adiabatic annular flows in triangular, tight lattice nuclear fuel bundle model

    Energy Technology Data Exchange (ETDEWEB)

    Saxena, Abhishek, E-mail: asaxena@lke.mavt.ethz.ch [ETH Zurich, Laboratory for Nuclear Energy Systems, Department of Mechanical and Process Engineering, Sonneggstrasse 3, 8092 Zürich (Switzerland); Zboray, Robert [Laboratory for Thermal-hydraulics, Nuclear Energy and Safety Department, Paul Scherrer Institute, 5232 Villigen PSI (Switzerland); Prasser, Horst-Michael [ETH Zurich, Laboratory for Nuclear Energy Systems, Department of Mechanical and Process Engineering, Sonneggstrasse 3, 8092 Zürich (Switzerland); Laboratory for Thermal-hydraulics, Nuclear Energy and Safety Department, Paul Scherrer Institute, 5232 Villigen PSI (Switzerland)

    2016-04-01

    High conversion light water reactors (HCLWR) having triangular, tight-lattice fuels bundles could enable improved fuel utilization compared to present day LWRs. However, the efficient cooling of a tight lattice bundle has to be still proven. Major concern is the avoidance of high-quality boiling crisis (film dry-out) by the use of efficient functional spacers. For this reason, we have carried out experiments on adiabatic, air-water annular two-phase flows in a tight-lattice, triangular fuel bundle model using generic spacers. A high-spatial-resolution, non-intrusive measurement technology, cold neutron tomography, has been utilized to resolve the distribution of the liquid film thickness on the virtual fuel pin surfaces. Unsteady CFD simulations have also been performed to replicate and compare with the experiments using the commercial code STAR-CCM+. Large eddies have been resolved on the grid level to capture the dominant unsteady flow features expected to drive the liquid film thickness distribution downstream of a spacer while the subgrid scales have been modeled using the Wall Adapting Local Eddy (WALE) subgrid model. A Volume of Fluid (VOF) method, which directly tracks the interface and does away with closure relationship models for interfacial exchange terms, has also been employed. The present paper shows first comparison of the measurement with the simulation results.

  7. Thermodynamic simulation of biomass gas steam reforming for a solid oxide fuel cell (SOFC system

    Directory of Open Access Journals (Sweden)

    A. Sordi

    2009-12-01

    Full Text Available This paper presents a methodology to simulate a small-scale fuel cell system for power generation using biomass gas as fuel. The methodology encompasses the thermodynamic and electrochemical aspects of a solid oxide fuel cell (SOFC, as well as solves the problem of chemical equilibrium in complex systems. In this case the complex system is the internal reforming of biomass gas to produce hydrogen. The fuel cell input variables are: operational voltage, cell power output, composition of the biomass gas reforming, thermodynamic efficiency, electrochemical efficiency, practical efficiency, the First and Second law efficiencies for the whole system. The chemical compositions, molar flows and temperatures are presented to each point of the system as well as the exergetic efficiency. For a molar water/carbon ratio of 2, the thermodynamic simulation of the biomass gas reforming indicates the maximum hydrogen production at a temperature of 1070 K, which can vary as a function of the biomass gas composition. The comparison with the efficiency of simple gas turbine cycle and regenerative gas turbine cycle shows the superiority of SOFC for the considered electrical power range.

  8. Thermal Hydraulic Computational Fluid Dynamics Simulations and Experimental Investigation of Deformed Fuel Assemblies

    Energy Technology Data Exchange (ETDEWEB)

    Mays, Brian [AREVA Federal Services, Lynchburg, VA (United States); Jackson, R. Brian [TerraPower, Bellevue, WA (United States)

    2017-03-08

    The project, Toward a Longer Life Core: Thermal Hydraulic CFD Simulations and Experimental Investigation of Deformed Fuel Assemblies, DOE Project code DE-NE0008321, was a verification and validation project for flow and heat transfer through wire wrapped simulated liquid metal fuel assemblies that included both experiments and computational fluid dynamics simulations of those experiments. This project was a two year collaboration between AREVA, TerraPower, Argonne National Laboratory and Texas A&M University. Experiments were performed by AREVA and Texas A&M University. Numerical simulations of these experiments were performed by TerraPower and Argonne National Lab. Project management was performed by AREVA Federal Services. The first of a kind project resulted in the production of both local point temperature measurements and local flow mixing experiment data paired with numerical simulation benchmarking of the experiments. The project experiments included the largest wire-wrapped pin assembly Mass Index of Refraction (MIR) experiment in the world, the first known wire-wrapped assembly experiment with deformed duct geometries and the largest numerical simulations ever produced for wire-wrapped bundles.

  9. THE APPLICATION OF MAMMOTH FOR A DETAILED TIGHTLY COUPLED FUEL PIN SIMULATION WITH A STATION BLACKOUT

    Energy Technology Data Exchange (ETDEWEB)

    Gleicher, Frederick; Ortensi, Javier; DeHart, Mark; Wang, Yaqi; Schunert, Sebastian; Novascone, Stephen; Hales, Jason; Williamson, Rich; Slaughter, Andrew; Permann, Cody; Andrs, David; Martineau, Richard

    2016-09-01

    Accurate calculation of desired quantities to predict fuel behavior requires the solution of interlinked equations representing different physics. Traditional fuels performance codes often rely on internal empirical models for the pin power density and a simplified boundary condition on the cladding edge. These simplifications are performed because of the difficulty of coupling applications or codes on differing domains and mapping the required data. To demonstrate an approach closer to first principles, the neutronics application Rattlesnake and the thermal hydraulics application RELAP-7 were coupled to the fuels performance application BISON under the master application MAMMOTH. A single fuel pin was modeled based on the dimensions of a Westinghouse 17x17 fuel rod. The simulation consisted of a depletion period of 1343 days, roughly equal to three full operating cycles, followed by a station blackout (SBO) event. The fuel rod was depleted for 1343 days for a near constant total power loading of 65.81 kW. After 1343 days the fission power was reduced to zero (simulating a reactor shut-down). Decay heat calculations provided the time-varying energy source after this time. For this problem, Rattlesnake, BISON, and RELAP-7 are coupled under MAMMOTH in a split operator approach. Each system solves its physics on a separate mesh and, for RELAP-7 and BISON, on only a subset of the full problem domain. Rattlesnake solves the neutronics over the whole domain that includes the fuel, cladding, gaps, water, and top and bottom rod holders. Here BISON is applied to the fuel and cladding with a 2D axi-symmetric domain, and RELAP-7 is applied to the flow of the circular outer water channel with a set of 1D flow equations. The mesh on the Rattlesnake side can either be 3D (for low order transport) or 2D (for diffusion). BISON has a matching ring structure mesh for the fuel so both the power density and local burn up are copied accurately from Rattlesnake. At each depletion time

  10. Two phase flow simulation in a channel of a polymer electrolyte membrane fuel cell using the lattice Boltzmann method

    OpenAIRE

    Ben Salah, Yasser; Tabe, Yutaka; Chikahisa, Takemi

    2012-01-01

    Water management in polymer electrolyte (PEM) fuel cells is important for fuel cell performance and durability. Numerical simulations using the lattice Boltzmann method (LBM) are developed to elucidate the dynamic behavior of condensed water and gas flows in a polymer electrolyte membrane (PEM) fuel cell gas channel. A scheme for two-phase flow with large density differences was applied to establish the optimum gas channel design for different gas channel heights, droplet positions, and gas c...

  11. Migration of BTEX and Biodegradation in Shallow Underground Water through Fuel Leak Simulation

    OpenAIRE

    Yaping Cheng; Yudao Chen; Yaping Jiang; Lingzhi Jiang; Liqun Sun; Liuyue Li; Junyu Huang

    2016-01-01

    To provide more reasonable references for remedying underground water, fuel leak was simulated by establishing an experimental model of a porous-aquifer sand tank with the same size as that of the actual tank and by monitoring the underground water. In the tank, traditional gasoline and ethyl alcohol gasoline were poured. This study was conducted to achieve better understanding of the migration and distribution of benzene, toluene, ethyl benzene, and xylene (BTEX), which are major pollutants ...

  12. Atomistic Simulations of Mass and Thermal Transport in Oxide Nuclear Fuels

    Energy Technology Data Exchange (ETDEWEB)

    Andersson, Anders D. [Los Alamos National Laboratory; Uberuaga, Blas P. [Los Alamos National Laboratory; Du, Shiyu [Los Alamos National Laboratory; Liu, Xiang-Yang [Los Alamos National Laboratory; Nerikar, Pankaj [IBM; Stanek, Christopher R. [Los Alamos National Laboratory; Tonks, Michael [Idaho National Laboratory; Millet, Paul [Idaho National Laboratory; Biner, Bulent [Idaho National Laboratory

    2012-06-04

    In this talk we discuss simulations of the mass and thermal transport in oxide nuclear fuels. Redistribution of fission gases such as Xe is closely coupled to nuclear fuel performance. Most fission gases have low solubility in the fuel matrix, specifically the insolubility is most pronounced for large fission gas atoms such as Xe, and as a result there is a significant driving force for segregation of gas atoms to grain boundaries or dislocations and subsequently for nucleation of gas bubbles at these sinks. The first step of the fission gas redistribution is diffusion of individual gas atoms through the fuel matrix to existing sinks, which is governed by the activation energy for bulk diffusion. Fission gas bubbles are then formed by either separate nucleation events or by filling voids that were nucleated at a prior stage; in both cases their formation and latter growth is coupled to vacancy dynamics and thus linked to the production of vacancies via irradiation or thermal events. In order to better understand bulk Xe behavior (diffusion mechanisms) in UO{sub 2{+-}x} we first calculate the relevant activation energies using density functional theory (DFT) techniques. By analyzing a combination of Xe solution thermodynamics, migration barriers and the interaction of dissolved Xe atoms with U, we demonstrate that Xe diffusion predominantly occurs via a vacancy-mediated mechanism, though other alternatives may exist in high irradiation fields. Since Xe transport is closely related to diffusion of U vacancies, we have also studied the activation energy for this process. In order to explain the low value of 2.4 eV found for U migration from independent damage experiments (not thermal equilibrium) the presence of vacancy clusters must be included in the analysis. Next a continuum transport model for Xe and U is formulated based on the diffusion mechanisms established from DFT. After combining this model with descriptions of the interaction between Xe and grain

  13. Sensitivity of simulated CO2 concentration to regridding of global fossil fuel CO2 emissions

    Directory of Open Access Journals (Sweden)

    X. Zhang

    2014-06-01

    Full Text Available Errors in the specification or utilization of fossil fuel CO2 emissions within carbon budget or atmospheric CO2 inverse studies can alias the estimation of biospheric and oceanic carbon exchange. A key component in the simulation of CO2 concentrations arising from fossil fuel emissions is the spatial distribution of the emission near coastlines. Finite grid resolution can give rise to mismatches between the emissions and simulated atmospheric dynamics which differ over land or water. We test these mismatches by examining simulated global atmospheric CO2 concentration driven by two different approaches to regridding fossil fuel CO2 emissions. The two approaches are: (1 a commonly-used method that allocates emissions to gridcells with no attempt to ensure dynamical consistency with atmospheric transport; (2 an improved method that reallocates emissions to gridcells to ensure dynamically consistent results. Results show large spatial and temporal differences in the simulated CO2 concentration when comparing these two approaches. The emissions difference ranges from −30.3 Tg C gridcell−1 yr−1 (−3.39 kg C m−2 yr−1 to +30.0 Tg C gridcell−1 yr−1 (+2.6 kg C m−2 yr−1 along coastal margins. Maximum simulated annual mean CO2 concentration differences at the surface exceed ±6 ppm at various locations and times. Examination of the current CO2 monitoring locations during the local afternoon, consistent with inversion modeling system sampling and measurement protocols, finds maximum hourly differences at 38 stations exceed ±0.10 ppm with individual station differences exceeding −32 ppm. The differences implied by not accounting for this dynamical consistency problem are largest at monitoring sites proximal to large coastal urban areas and point sources. These results suggest that studies comparing simulated to observed atmospheric CO2 concentration, such as atmospheric CO2 inversions, must take measures to correct for this potential

  14. Modeling and simulation of hydrogen behavior in Zircaloy-4 fuel cladding

    Energy Technology Data Exchange (ETDEWEB)

    Jason D. Hales; Various

    2014-09-01

    As a result of corrosion during normal operation in nuclear reactors, hydrogen can enter the zirconium-alloy fuel cladding and precipitate as brittle hydride platelets, which can severely degrade the cladding ductility. Under a heterogeneous temperature distribution, hydrides tend to accumulate in the colder areas, creating local spots of degraded cladding that can favor crack initiation. Therefore, an estimation of the local hydride distribution is necessary to help predict the risk of cladding failure. The hydride distribution is governed by three competing phenomena. Hydrogen in solid solution diffuses under a concentration gradient due to Fick’s law and under a temperature gradient due to the Soret effect. Precipitation of the hydride platelets occurs once the hydrogen solubility limit is reached. A model of these phenomena was implemented in the 3D fuel performance code BISON in order to calculate the hydrogen distribution for arbitrary geometries, such as a nuclear fuel rod, and is now available for BISON users. Simulations have been performed on simple geometries to validate the model and its implementation. The simulations predict that before precipitation occurs, hydrogen tends to accumulate in the colder spots due to the Soret effect. Once the solubility limit is reached, hydrogen precipitates and forms a rim close to the outer edge of the cladding. The simulations also predict that the reactor shut down has little effect on already precipitated hydrides but causes the remaining hydrogen to precipitate homogeneously into hydrides.

  15. Modeling and simulation of hydrogen behavior in Zircaloy-4 fuel cladding

    Energy Technology Data Exchange (ETDEWEB)

    Courty, Olivier, E-mail: o.courty@gmail.com [Pennsylvania State University, 45 Bd Gouvion Saint Cyr, 75017 Paris (France); Motta, Arthur T., E-mail: atm2@psu.edu [Department of Mechanical and Nuclear Engineering, 227 Reber Building, Penn State University, University Park, PA 16802 (United States); Hales, Jason D., E-mail: jason.hales@inl.gov [Fuels Modeling and Simulation Department, Idaho National Laboratory (United States)

    2014-09-15

    As a result of corrosion during normal operation in nuclear reactors, hydrogen can enter the zirconium-alloy fuel cladding and precipitate as brittle hydride platelets, which can severely degrade the cladding ductility. Under a heterogeneous temperature distribution, hydrides tend to accumulate in the colder areas, creating local spots of degraded cladding that can favor crack initiation. Therefore, an estimation of the local hydride distribution is necessary to help predict the risk of cladding failure. The hydride distribution is governed by three competing phenomena. Hydrogen in solid solution diffuses under a concentration gradient due to Fick’s law and under a temperature gradient due to the Soret effect. Precipitation of the hydride platelets occurs once the hydrogen solubility limit is reached. A model of these phenomena was implemented in the 3D fuel performance code BISON in order to calculate the hydrogen distribution for arbitrary geometries, such as a nuclear fuel rod, and is now available for BISON users. Simulations have been performed on simple geometries to validate the model and its implementation. The simulations predict that before precipitation occurs, hydrogen tends to accumulate in the colder spots due to the Soret effect. Once the solubility limit is reached, hydrogen precipitates and forms a rim close to the outer edge of the cladding. The simulations also predict that the reactor shut down has little effect on already precipitated hydrides but causes the remaining hydrogen to precipitate homogeneously into hydrides.

  16. Modeling and simulation of hydrogen behavior in Zircaloy-4 fuel cladding

    Science.gov (United States)

    Courty, Olivier; Motta, Arthur T.; Hales, Jason D.

    2014-09-01

    As a result of corrosion during normal operation in nuclear reactors, hydrogen can enter the zirconium-alloy fuel cladding and precipitate as brittle hydride platelets, which can severely degrade the cladding ductility. Under a heterogeneous temperature distribution, hydrides tend to accumulate in the colder areas, creating local spots of degraded cladding that can favor crack initiation. Therefore, an estimation of the local hydride distribution is necessary to help predict the risk of cladding failure. The hydride distribution is governed by three competing phenomena. Hydrogen in solid solution diffuses under a concentration gradient due to Fick's law and under a temperature gradient due to the Soret effect. Precipitation of the hydride platelets occurs once the hydrogen solubility limit is reached. A model of these phenomena was implemented in the 3D fuel performance code BISON in order to calculate the hydrogen distribution for arbitrary geometries, such as a nuclear fuel rod, and is now available for BISON users. Simulations have been performed on simple geometries to validate the model and its implementation. The simulations predict that before precipitation occurs, hydrogen tends to accumulate in the colder spots due to the Soret effect. Once the solubility limit is reached, hydrogen precipitates and forms a rim close to the outer edge of the cladding. The simulations also predict that the reactor shut down has little effect on already precipitated hydrides but causes the remaining hydrogen to precipitate homogeneously into hydrides.

  17. Method for accounting for macroscopic heterogeneities in reactor material balance generation in fuel cycle simulations

    Energy Technology Data Exchange (ETDEWEB)

    Bagdatlioglu, Cem, E-mail: cemb@utexas.edu; Schneider, Erich

    2016-06-15

    Highlights: • Describes addition of spatially dependent power sharing to a previous methodology. • The methodology is used for calculating the input and output isotopics and burnup. • Generalizes to simulate reactors with strong spatial and flux heterogeneities. • Presents cases where the old approach would not have been sufficient. - Abstract: This paper describes the addition of spatially dependent power sharing to a methodology used for calculating the input and output isotopics and burnup of nuclear reactors within a nuclear fuel cycle simulator. Neutron balance and depletion calculations are carried out using pre-calculated fluence-based libraries. These libraries track the transmutation and neutron economy evolution of unit masses of nuclides available in input fuel. The work presented in the paper generalizes the method to simulate reactors that contain more than one type of fuel as well as strong spatial and flux heterogeneities, for instance breeders with a driver–blanket configuration. To achieve this, spatial flux calculations are used to determine the fluence-dependent relative average fluxes inside macroscopic spatial regions. These fluxes are then used to determine the average power of macroscopic spatial regions as well as to more accurately calculate region-specific transmutation rates. The paper presents several cases where the fluence based approach alone would not have been sufficient to determine results.

  18. Simulation method for diesel fuel entry into lubrication oil; Simulationsmethode fuer den Dieselkraftstoffeintrag ins Motoroel

    Energy Technology Data Exchange (ETDEWEB)

    Ehrly, Markus; Jakob, Markus; Pischinger, Stefan [RWTH Aachen (DE). Lehrstuhl fuer Verbrennungskraftmaschinen (VKA); Budde, Matthias [FEV GmbH, Aachen (Germany)

    2012-06-15

    The exhaust aftertreatment systems in today's passenger car diesel engines require a high temperature level in the exhaust or must be operated with a rich mixture for regeneration purposes. Both can be implemented using late post injections, but these lead to the well-known problem of oil dilution. As part of a FVV research project, a simulation method was developed at the Institute for Combustion Engines at RWTH Aachen University in cooperation with the Institute for Measurement Technology at the Technical University Hamburg-Harburg and the Institute for Aerospace Thermodynamics at the University Stuttgart. This simulation method allows calculating the fuel entry into engine oil. (orig.)

  19. An electrical simulator of a nuclear fuel rod cooled by nucleate boiling

    Energy Technology Data Exchange (ETDEWEB)

    Costa, Antonio Carlos Lopes da [Centro de Desenvolvimento da Tecnologia Nuclear (CDTN/CNEN-MG), Belo Horizonte, MG (Brazil)], e-mail: aclc@cdtn.br; Machado, Luiz; Koury, Ricardo Nicolau Nassar [Universidade Federal de Minas Gerais (UFMG), Belo Horizonte, MG (Brazil). Dept. de Engenharia Mecanica], e-mail: luizm@demec.ufmg.br; Bonjour, Jocelyn [CETHIL, UMR5008, CNRS, INSA-Lyon (France)], e-mail: jocelyn.bonjour@insa-lyon.fr; Passos, Julio Cesar [Universidade Federal de Santa Catarina (UFSC), Florianopolis, SC (Brazil). Dept. de Engenharia Mecanica. LEPTEN/Boiling], e-mail: jpassos@emc.ufsc.br

    2009-07-01

    This study investigates an electrical heated test section designed to simulate a nuclear fuel rod. This simulator comprises a stainless steel vertical tube, with length and outside diameter of 600 mm and 10 mm, respectively, inside which there is a high power electrical resistor. The heat generated is removed by means of enhanced confined subcooled nucleate boiling of water in an annular space containing 153 small metal inclined discs. The tests were performed under electrical power and pressure up to 48 kW and 40 bar, respectively. The results show that the experimental boiling heat transfer coefficients are in good agreement with those calculated using the Jens-Lottes correlation. (author)

  20. Experimental and numerical study on lead-bismuth heat transfer in a fuel rod simulator

    Science.gov (United States)

    Ma, Weimin; Karbojian, Aram; Hollands, Thorsten; Koch, Marco K.

    2011-08-01

    As a task of the EU project IP EUROTRANS towards development of an Accelerator Driven System (ADS) dedicated to the transmutation of long-lived fission products, experiments and simulations were performed on the TALL test facility at KTH to investigate thermal hydraulics along a single fuel rod simulator cooled by lead-bismuth eutectic (LBE). The fuel rod simulator is concentrically inserted in a tube, so that an annular channel is formed for LBE flow. This paper presents the measured temperature profiles in the annular channel, and the comparisons with the simulation results of the CFX code. The primary objective is to help understanding the LBE heat transfer characteristics and qualifying the turbulence and heat transfer modeling for LBE application. The quantitative comparison between the calculated and measured temperatures of the LBE indicates that the simulation underestimates the experiment at most radial and axial positions. Finally the uncertainties in measurement and the deficiency in turbulence models resulting in such a disagreement were discussed, which will be directive and beneficial to future work in the field.

  1. Tip-to-tail numerical simulation of a hypersonic air-breathing engine with ethylene fuel

    Science.gov (United States)

    Dharavath, Malsur; Manna, P.; Chakraborty, Debasis

    2016-11-01

    End to end CFD simulations of external and internal flow paths of an ethylene fueled hypersonic airbreathing vehicle with including forebody, horizontal fins, vertical fins, intake, combustor, single expansion ramp nozzle are carried out. The performance of the scramjet combustor and vehicle net thrust-drag is calculated for hypersonic cruise condition. Three-dimensional Navier-Stokes equations are solved along with SST-k-ω turbulence model using the commercial CFD software CFX-14. Single step chemical reaction based on fast chemistry assumption is used for combustion of gaseous ethylene fuel. Simulations captured complex shock structures including the shocks generated from the vehicle nose and compression ramps, impingement of cowl-shock on vehicle undersurface and its reflection in the intake and combustor etc. Various thermochemical parameters are analyzed and performance parameters are evaluated for nonreacting and reacting cases. Very good mixing ( 98%) of fuel with incoming air stream is observed. Positive thrust-drag margins are obtained for fuel equivalence ratio of 0.6 and computed combustion efficiency is observed to be 94 %. Effect of equivalence ratio on the vehicle performance is studied parametrically. Though the combustion efficiency has come down by 8% for fuel equivalence ratio of 0.8, net vehicle thrust is increased by 44%. Heat flux distribution on the various walls of the whole vehicle including combustor is estimated for the isothermal wall condition of 1000 K in reacting flow. Higher local heat flux values are observed at all the leading edges of the vehicle (i.e., nose, wing, fin and cowl leading edges) and strut regions of the combustor.

  2. Simulation of accident and normal fuel rod work with Zr-cladding

    Energy Technology Data Exchange (ETDEWEB)

    Tutnov, Anton A.; Tutnov, Alexander A. [Russian Research Centre, Moscow (Russian Federation). Kurchatov Inst.

    1995-12-31

    The technique of simulation of heat-physics, strength and safety characteristics of reactor RBMK and WWER rods under steady-state, transient and accident conditions is presented. That technique is used in mechanic and heat physics codes PULSAR-2 and STALACTITE. Simulation in both full scale and the most stress-loading part of cladding statement under accident conditions are considered. In this zone local swelling and cladding failure are possible. The accident simulation is based on the mechanical creep-plasticity problem solution in three-dimensional approach. The local cladding swelling is initiated with determining of little hot spot on the clad with several degrees temperature departure from average value. Mechanical problem is solved by finite elements method. Interaction of Zr with steam is taken in to account. Fuel and cladding melting, shortness and dispersion formation processes are simulated under subsequent rods warming up. (author). 2 refs., 6 figs.

  3. Differential die-away instrument: Report on comparison of fuel assembly experiments and simulations

    Energy Technology Data Exchange (ETDEWEB)

    Goodsell, Alison Victoria [Los Alamos National Lab. (LANL), Los Alamos, NM (United States); Henzl, Vladimir [Los Alamos National Lab. (LANL), Los Alamos, NM (United States); Swinhoe, Martyn Thomas [Los Alamos National Lab. (LANL), Los Alamos, NM (United States); Rael, Carlos D. [Los Alamos National Lab. (LANL), Los Alamos, NM (United States); Desimone, David J. [Los Alamos National Lab. (LANL), Los Alamos, NM (United States)

    2015-01-14

    Experimental results of the assay of mock-up (fresh) fuel with the differential die-away (DDA) instrument were compared to the Monte Carlo N-Particle eXtended (MCNPX) simulation results. Most principal experimental observables, the die-away time and the in tegral of the DDA signal in several time domains, have been found in good agreement with the MCNPX simulation results. The remaining discrepancies between the simulation and experimental results are likely due to small differences between the actual experimental setup and the simulated geometry, including uncertainty in the DT neutron generator yield. Within this report we also present a sensitivity study of the DDA instrument which is a complex and sensitive system and demonstrate to what degree it can be impacted by geometry, material composition, and electronics performance.

  4. Coupled thermochemical, isotopic evolution and heat transfer simulations in highly irradiated UO2 nuclear fuel

    Science.gov (United States)

    Piro, M. H. A.; Banfield, J.; Clarno, K. T.; Simunovic, S.; Besmann, T. M.; Lewis, B. J.; Thompson, W. T.

    2013-10-01

    Predictive capabilities for simulating irradiated nuclear fuel behavior are enhanced in the current work by coupling thermochemistry, isotopic evolution and heat transfer. Thermodynamic models that are incorporated into this framework not only predict the departure from stoichiometry of UO2, but also consider dissolved fission and activation products in the fluorite oxide phase, noble metal inclusions, secondary oxides including uranates, zirconates, molybdates and the gas phase. Thermochemical computations utilize the spatial and temporal evolution of the fission and activation product inventory in the pellet, which is typically neglected in nuclear fuel performance simulations. Isotopic computations encompass the depletion, decay and transmutation of more than 2000 isotopes that are calculated at every point in space and time. These computations take into consideration neutron flux depression and the increased production of fissile plutonium near the fuel pellet periphery (i.e., the so-called “rim effect”). Thermochemical and isotopic predictions are in very good agreement with reported experimental measurements of highly irradiated UO2 fuel with an average burnup of 102 GW d t(U)-1. Simulation results demonstrate that predictions are considerably enhanced when coupling thermochemical and isotopic computations in comparison to empirical correlations. Notice: This manuscript has been authored by UT-Battelle, LLC, under Contract No. DE-AC05-00OR22725 with the U.S. Department of Energy. The United States Government retains and the publisher, by accepting the article for publication, acknowledges that the United States Government retains a non-exclusive, paid-up, irrevocable, world-wide license to publish or reproduce the published form of this manuscript, or allow others to do so, for United States Government purposes.

  5. Catalytic cleaning of biomass derived product gas for engine applications; Biomassasta valmistetun kaasun katalyyttinen puhdistus moottorikaeyttoeae varten

    Energy Technology Data Exchange (ETDEWEB)

    Staahlberg, P.; Kurkela, E. [VTT Energy, Espoo (Finland)

    1998-12-31

    The greatest difficulty and obstacle in using biomass-derived product gas for engine applications have been condensing hydrocarbon compounds (tar) contained in the gas. These compounds cause problems in pipelines, valves and nozzles as well as may create emissions due to the incomplete combustion. In this study, catalytic cleaning technology was developed for gas produced from biomass and biomass wastes with atmospheric gasification processes. The aim of the two- year study was to achieve such a cleaning level for gas that would enable its use for the engine applications. In 1997, the main tasks were gas-cleaning experiments in an atmospheric PDU-scale monolith catalyst reactor and generation of dimensioning data for a dolomite cracker that operates in fluidised-bed principle. Fluidised-bed experiments were carried out both with a cold-model equipment and with a bench-scale gasification system. In the PDU-scale experiments with a Ni monolith catalyst, a level of tar content was reached that enables the cooling of the gas to below 50 deg C and meets the requirements of the engine use. The availability of the monolith catalyst is hampered by solids depositing on the `front surface` of the catalyst and, as a consequence, by increasing pressure loss in the reactor. However the deposits were loose and can be easily removed by a suitable soot-blowing method. In tests with the fluidised-bed cracker, the tar content of the gas remained higher than in those with the Ni catalyst and hence, a cleaning rate sufficient for engine applications may not be reached with the fluidised-bed cracker alone. On the other hand, the level of tar content achieved with the fluidised-bed cracker makes it possible to filter the gas at low temperatures, and this enables the use of the method in a number of other gasification applications. (orig.)

  6. Catalytic cleaning of biomass derived product gas for engine applications; Biomassasta valmistetun kaasun katalyyttinen puhdistus moottorikaeyttoeae varten

    Energy Technology Data Exchange (ETDEWEB)

    Staahlberg, P.; Kurkela, E. [VTT Energy, Espoo (Finland)

    1998-12-01

    The difficulty concerning the use of the biomass-derived product gas for engine applications has been the condensing hydrocarbon compounds (tar) in the gas. These compounds cause problems in pipelines, valves and nozzles as well as they may create emissions due to incomplete combustion. In this study, catalytic cleaning technology has been developed for gas produced from biomass and biomass wastes in atmospheric gasification processes. The aim of the two- year study was to achieve a cleaning level for gas that would enable its use for engine applications. In 1997, the main tasks were gas-cleaning experiments in an atmospheric PDU-scale monolith catalyst reactor and generation of dimensioning data for a dolomite cracker that operates in fluidized-bed principle. Fluidized-bed experiments were carried out both with a cold-model equipment and with a bench-scale gasification system. In the PDU-scale experiments with a Ni monolith catalyst a level of tar content was reached that enables the cooling of gas (to below 50 deg C) and meets the requirements of engine use. The availability of the monolith catalyst is hampered by solids depositing on the `front surface` of the catalyst and, as a consequence, by increasing pressure loss in the reactor. However the deposits were loose and can be easily removed by a suitable soot-blowing method. In tests with the fluidized-bed cracker, the tar content of the gas remained higher than in those with the Ni catalyst and hence, a cleaning rate sufficient for engine applications may not be reached with the fluidized-bed cracker alone. On the other hand, the level of tar content achieved with the fluidized-bed cracker makes it possible to filter the gas at low temperatures, and this enables the use of the method in a number of other gasification applications. (orig.)

  7. Cleaning of biomass derived product gas for engine applications and for co-firing in PC-boilers

    Energy Technology Data Exchange (ETDEWEB)

    Kurkela, E.; Staahlberg, P.; Laatikainen-Luntama, J. [VTT Energy, Espoo (Finland). Energy Production Technologies] [and others

    1997-10-01

    The conventional fluidized-bed combustion has become commercially available also to relatively small scale (5 MWe), but this technology has rather low power-to-heat ratio and consequently it`s potential is limited to applications where district or process heat is the main product. Thus, there seems to be a real need to develop more efficient methods for small-scale power production from biomass. Gasification diesel power plant is one alternative for the small-scale power production, which has clearly higher power-to-heat ratio than can be reached in conventional steam cycles. The main technical problem in this process is the gas cleaning from condensable tars. In addition to the diesel-power plants, there are several other interesting applications for atmospheric-pressure clean gas technology. One alternative for cost-effective biomass utilization is co-firing of biomass derived product gas in existing pulverized coal fired boilers (or other types of boilers and furnaces). The aim of the project is to develop dry gas cleaning methods for gasification-diesel power plants and for other atmospheric-pressure applications of biomass and waste gasification. The technical objectives of the project are as follows: To develop and test catalytic gas cleaning methods for engine. To study the removal of problematic ash species of (CFE) gasification with regard to co-combustion of the product gas in PC boilers. To evaluate the technical and economical feasibility of different small-scale power plant concepts based on fixed-bed updraft and circulating fluidized- bed gasification of biomass and waste. (orig.)

  8. Nuclear Cryogenic Propulsion Stage (NCPS) Fuel Element Testing in the Nuclear Thermal Rocket Element Environmental Simulator (NTREES)

    Science.gov (United States)

    Emrich, William J., Jr.

    2017-01-01

    To satisfy the Nuclear Cryogenic Propulsion Stage (NCPS) testing milestone, a graphite composite fuel element using a uranium simulant was received from the Oakridge National Lab and tested in the Nuclear Thermal Rocket Element Environmental Simulator (NTREES) at various operating conditions. The nominal operating conditions required to satisfy the milestone consisted of running the fuel element for a few minutes at a temperature of at least 2000 K with flowing hydrogen. This milestone test was successfully accomplished without incident.

  9. Surrogate fuel assembly multi-axis shaker tests to simulate normal conditions of rail and truck transport

    Energy Technology Data Exchange (ETDEWEB)

    McConnell, Paul E. [Sandia National Lab. (SNL-NM), Albuquerque, NM (United States); Koenig, Greg John [Sandia National Lab. (SNL-NM), Albuquerque, NM (United States); Uncapher, William Leonard [Sandia National Lab. (SNL-NM), Albuquerque, NM (United States); Grey, Carissa [Sandia National Lab. (SNL-NM), Albuquerque, NM (United States); Engelhardt, Charles [Sandia National Lab. (SNL-NM), Albuquerque, NM (United States); Saltzstein, Sylvia J. [Sandia National Lab. (SNL-NM), Albuquerque, NM (United States); Sorenson, Ken B. [Sandia National Lab. (SNL-NM), Albuquerque, NM (United States)

    2016-05-01

    This report describes the third set of tests (the “DCLa shaker tests”) of an instrumented surrogate PWR fuel assembly. The purpose of this set of tests was to measure strains and accelerations on Zircaloy-4 fuel rods when the PWR assembly was subjected to rail and truck loadings simulating normal conditions of transport when affixed to a multi-axis shaker. This is the first set of tests of the assembly simulating rail normal conditions of transport.

  10. Fabrication and characterization of CeO{sub 2} pellets for simulation of nuclear fuel

    Energy Technology Data Exchange (ETDEWEB)

    García-Ostos, C.; Rodríguez-Ortiz, J.A. [Department of Mechanical and Materials Engineering, School of Engineering, University of Seville, Seville (Spain); Arévalo, C., E-mail: carevalo@us.es [Department of Mechanical and Materials Engineering, School of Engineering, University of Seville, Seville (Spain); Cobos, J. [CIEMAT, Avenida Complutense, 40, Madrid (Spain); Gotor, F.J. [Materials Science Institute of Seville (CSIC-US), Av. Américo Vespucio, 49, 41092 Seville (Spain); Torres, Y. [Department of Mechanical and Materials Engineering, School of Engineering, University of Seville, Seville (Spain)

    2016-03-15

    Highlights: • CeO{sub 2} is presented as a surrogate material for UO{sub 2} to study nuclear fuel. • Powder-metallurgy methods are applied to fabricate CeO{sub 2} pellets with controlled porosity. • An optimization of the fabrication parameters is established. • Microstructural and tribo-mechanical characterizations are performed. • Properties are compared to those of the nuclear fuel. - Abstract: Cerium Oxide, CeO{sub 2}, has been shown as a surrogate material to understand irradiated Mixed Oxide (MOX) based matrix fuel for nuclear power plants due to its similar structure, chemical and mechanical properties. In this work, CeO{sub 2} pellets with controlled porosity have been developed through conventional powder-metallurgy process. Influence of the main processing parameters (binder content, compaction pressure, sintering temperature and sintering time) on porosity and volumetric contraction values has been studied. Microstructure and physical properties of sintered compacts have also been characterized through several techniques. Mechanical properties such as dynamic Young's modulus, hardness and fracture toughness have been determined and connected to powder-metallurgy parameters. Simulation of nuclear fuel after reactor utilization with radial gradient porosity is proposed.

  11. Modeling and simulation of PEM fuel cell's flow channels using CFD techniques

    Energy Technology Data Exchange (ETDEWEB)

    Cunha, Edgar F.; Andrade, Alexandre B.; Robalinho, Eric; Bejarano, Martha L.M.; Linardi, Marcelo [Instituto de Pesquisas Energeticas e Nucleares (IPEN/CNEN-SP), Sao Paulo, SP (Brazil)]. E-mails: efcunha@ipen.br; abodart@ipen.br; eric@ipen.br; mmora@ipen.br; mlinardi@ipen.br; Cekinski, Efraim [Instituto de Pesquisas Tecnologicas (IPT-SP), Sao Paulo, SP (Brazil)]. E-mail: cekinski@ipt.br

    2007-07-01

    Fuel cells are one of the most important devices to obtain electrical energy from hydrogen. The Proton Exchange Membrane Fuel Cell (PEMFC) consists of two important parts: the Membrane Electrode Assembly (MEA), where the reactions occur, and the flow field plates. The plates have many functions in a fuel cell: distribute reactant gases (hydrogen and air or oxygen), conduct electrical current, remove heat and water from the electrodes and make the cell robust. The cost of the bipolar plates corresponds up to 45% of the total stack costs. The Computational Fluid Dynamic (CFD) is a very useful tool to simulate hydrogen and oxygen gases flow channels, to reduce the costs of bipolar plates production and to optimize mass transport. Two types of flow channels were studied. The first type was a commercial plate by ELECTROCELL and the other was entirely projected at Programa de Celula a Combustivel (IPEN/CNEN-SP) and the experimental data were compared with modelling results. Optimum values for each set of variables were obtained and the models verification was carried out in order to show the feasibility of this technique to improve fuel cell efficiency. (author)

  12. Consideration of Numerical Simulation Parameters and Heat Transfer Models for a Molten Carbonate Fuel Cell Stack

    Energy Technology Data Exchange (ETDEWEB)

    Koh, J.H.; Seo, H.K.; Lim, H.C. [Korea Electric Power Research Institute, Taejon (Korea)

    2001-07-01

    A fuel cell stack model based on differential heat balance equations was solved numerically with a computational fluid dynamics code. Theoretical aspects in the simulation of a molten carbonate fuel cell (MCFC) performance model were discussed with regard to numerical accuracy of temperature prediction. The effect of grid setting for gas channel depth was studied to ensure how coarse it can be. A single computational element was sufficient for temperature prediction, while more grid elements are required for calculation of flow field and pressure distribution. The use of constant velocities is not recommended because it cannot account for the change of linear velocity within fuel cells, indicating the momentum equations have to be solved together with the heat balance equations. Thermal radiation has little effect on calculation of temperature field from the model. Gas properties vary within fuel cells, but most of them can be treated constant except for specific heat capacity of anode gas. Convection heat transfer by anode gas can be overestimated when a constant specific heat capacity is used, resulting in prediction of lower temperature curves. (author). 18 refs., 12 figs., 4 tabs.

  13. Modeling and simulation of nuclear fuel in scenarios with long time scales

    Energy Technology Data Exchange (ETDEWEB)

    Espinosa, Carlos E.; Bodmann, Bardo E.J., E-mail: eduardo.espinosa@ufrgs.br, E-mail: bardo.bodmann@ufrgs.br [Universidade Federal do Rio Grande do Sul (DENUC/PROMEC/UFRGS), Porto Alegre, RS (Brazil). Departamento de Engenharia Nuclear. Programa de Pos Graduacao em Engenharia Mecanica

    2015-07-01

    Nuclear reactors play a key role in defining the energy matrix. A study by the Fraunhofer Society shows in different time scales for long periods of time the distribution of energy sources. Regardless of scale, the use of nuclear energy is practically constant. In these scenarios, the nuclear fuel behavior over time is of interest. For kinetics of long-term scales, changing the chemical composition of fuel is significant. Thus, it is appropriate to consider fission products called neutron poisons. Such products are of interest in the nuclear reactor, since they become parasitic neutron absorbers and result in long thermal heat sources. The objective of this work is to solve the kinetics system coupled to neutron poison products. To solve this system, we use similar ideas to the method of Adomian decomposition. Initially, one separates the system of equations as the sum of a linear part and a non-linear part in order to solve a recursive system. The nonlinearity is treated as Adomian polynomial. We present numerical results of the effects of changing the power of a reactor, scenarios such as start-up and shut-down. For these results we consider time dependent reactivity, such as linear reactivity, quadratic polynomial and oscillatory. With these results one can simulate the chemical composition of the fuel due to the reuse of the spent fuel in subsequent cycles. (author)

  14. Methods for conversion of lignocellulosic-derived products to transportation fuel precursors

    Energy Technology Data Exchange (ETDEWEB)

    Lilga, Michael A.; Padmaperuma, Asanga B.

    2017-10-03

    Methods are disclosed for converting a biomass-derived product containing levulinic acid and/or gamma-valerolactone to a transportation fuel precursor product containing diesel like hydrocarbons. These methods are expected to produce fuel products at a reduced cost relative to conventional approaches.

  15. Advanced coal-fueled industrial cogeneration gas turbine system: Hot End Simulation Rig

    Energy Technology Data Exchange (ETDEWEB)

    Galica, M.A.

    1994-02-01

    This Hot End Simulation Rig (HESR) was an integral part of the overall Solar/METC program chartered to prove the technical, economic, an environmental feasibility of a coal-fueled gas turbine, for cogeneration applications. The program was to culminate in a test of a Solar Centaur Type H engine system operated on coal slurry fuel throughput the engine design operating range. This particular activity was designed to verify the performance of the Centaur Type H engine hot section materials in a coal-fired environment varying the amounts of alkali, ash, and sulfur in the coal to assess the material corrosion. Success in the program was dependent upon the satisfactory resolution of several key issues. Included was the control of hot end corrosion and erosion, necessary to ensure adequate operating life. The Hot End Simulation Rig addressed this important issue by exposing currently used hot section turbine alloys, alternate alloys, and commercially available advanced protective coating systems to a representative coal-fueled environment at turbine inlet temperatures typical of Solar`s Centaur Type H. Turbine hot end components which would experience material degradation include the transition duct from the combustor outlet to the turbine inlet, the shroud, nozzles, and blades. A ceramic candle filter vessel was included in the system as the particulate removal device for the HESR. In addition to turbine material testing, the candle material was exposed and evaluated. Long-term testing was intended to sufficiently characterize the performance of these materials for the turbine.

  16. Simulative technology for auxiliary fuel tank separation in a wind tunnel

    Institute of Scientific and Technical Information of China (English)

    Ma Xin; Liu Wei; Chen Ling; Li Xiao; Jia Zhenyuan; Shang Zhiliang

    2016-01-01

    In this paper, we propose a simulative experimental system in wind tunnel conditions for the separation of auxiliary fuel tanks from an aircraft. The experimental system consists of a simulative release mechanism, a scaled model and a pose measuring system. A new release mechanism was designed to ensure stability of the separation. Scaled models of the auxiliary fuel tank were designed and their moment of inertia was adjusted by installing counterweights inside the model. Pose param-eters of the scaled model were measured and calculated by a binocular vision system. Additionally, in order to achieve high brightness and high signal-to-noise ratio of the images in the dark enclosed wind tunnel, a new high-speed image acquisition method based on miniature self-emitting units was pre-sented. Accuracy of the pose measurement system and repeatability of the separation mechanism were verified in the laboratory. Results show that the position precision of the pose measurement system can reach 0.1 mm, the precision of the pitch and yaw angles is less than 0.1? and that of the roll angle can be up to 0.3?. Besides, repeatability errors of models’ velocity and angular velocity controlled by the release mechanism remain small, satisfying the measurement requirements. Finally, experiments for the separation of auxiliary fuel tanks were conducted in the laboratory.

  17. Evaluation of single and stack membraneless enzymatic fuel cells based on ethanol in simulated body fluids.

    Science.gov (United States)

    Galindo-de-la-Rosa, J; Arjona, N; Moreno-Zuria, A; Ortiz-Ortega, E; Guerra-Balcázar, M; Ledesma-García, J; Arriaga, L G

    2017-02-08

    The purpose of this work is to evaluate single and double-cell membraneless microfluidic fuel cells (MMFCs) that operate in the presence of simulated body fluids SBF, human serum and blood enriched with ethanol as fuels. The study was performed using the alcohol dehydrogenase enzyme immobilised by covalent binding through an array composed of carbon Toray paper as support and a layer of poly(methylene blue)/tetrabutylammonium bromide/Nafion and glutaraldehyde (3D bioanode electrode). The single MMFC was tested in a hybrid microfluidic fuel cell using Pt/C as the cathode. A cell voltage of 1.035V and power density of 3.154mWcm(-2) were observed, which is the highest performance reported to date. The stability and durability were tested through chronoamperometry and polarisation/performance curves obtained at different days, which demonstrated a slow decrease in the power density on day 10 (14%) and day 20 (26%). Additionally, the cell was tested for ethanol oxidation in simulated body fluid (SBF) with ionic composition similar to human blood plasma. Those tests resulted in 0.93V of cell voltage and a power density close to 1.237mWcm(-2). The double cell MMFC (Stack) was tested using serum and human blood enriched with ethanol. The stack operated with blood in a serial connection showed an excellent cell performance (0.716mWcm(-2)), demonstrating the feasibility of employing human blood as energy source.

  18. The development of a fuel cell stack electronic simulator for enhanced safety and reliability during test and training

    Energy Technology Data Exchange (ETDEWEB)

    Abdulhadi, M.; Al-Garni, M. [King AbdulAziz City for Science and Technology (KACST), Riyadh (Saudi Arabia). Energy Research Inst.

    1996-12-31

    One of the main sub-tasks of HYSOLAR, a joint Saudi-German research and development program in the field of solar hydrogen, is the investigation and characterization of phosphoric acid fuel cells (PAFC). To facilitate this, a fully automated data acquisition and control (DAC) system for fuel cell stacks was developed at KACST`s Solar Village. In order to ensure that the test and training procedures were as safe and reliable as possible, an electronic simulator for the fuel cell stacks was also developed. This paper discusses the background and concept and describes the development and operational characteristics of the simulator. (Author)

  19. Computer Simulations of Composite Electrodes in Solid-Oxide Fuel-Cells

    Energy Technology Data Exchange (ETDEWEB)

    Sunde, Svein

    1999-07-01

    aspects of structure and composition. The thesis is composed of the five papers: (A) Calculation of conductivity and polarization resistance of composite SOFC-electrodes from random resistor networks, (B) Monte Carlo Simulations of Conductivity of Composite Electrodes for Solid Oxide Fuel Cells, (C) Monte Carlo Simulations of the Polarization Resistance of Composite Electrodes for Solid Oxide Fuel Cells (D) Calculations of Impedance of Composite Modes for Solid Oxide Fuel Cells (E) Simulations of Composite Electrodes in Fuel Cells. The major results are: (1) A Monte Carlo method is constructed for electrochemical applications, (2) The Monte Carlo simulations of conductivity with respect to its dependence on composition and temperature are validated quantitatively with respect to experimental results (papers A, B and E), (3) The Monte Carlo method is validated qualitatively with respect polarisation resistance and its thickness dependence (papers A, C, and E), (Considerable scatter in the experimental results prevents a more strict quantitative evaluation of the model.), (4) A dependence of the percolation threshold on particle size in the composite is suggested as a major reason for electrode deactivation in fuel cells employing composite electrodes in which particle aggregation occur (paper B), (5) The range of compositions within which there will be a thickness dependence of the polarisation resistance is calculated as a function of relative ratio of particle radii (paper C), (6) The shapes of impedance-plane plots for composite electrodes will usually differ significantly from their point-contact counterparts exclusively for reasons related structure (paper D), (7) The macroscopic porous-electrode theory is adapted for composite electrodes (papers C and E), (8) A model for internal reforming of methane at a composite fuel-cell anode is formulated, based on the macroscopic porous-electrode theory (paper E). The model includes a description of gas-phase transport and non

  20. Fabrication of simulated plate fuel elements: Defining role of stress relief annealing

    Science.gov (United States)

    Kohli, D.; Rakesh, R.; Sinha, V. P.; Prasad, G. J.; Samajdar, I.

    2014-04-01

    This study involved fabrication of simulated plate fuel elements. Uranium silicide of actual fuel elements was replaced with yttria. The fabrication stages were otherwise identical. The final cold rolled and/or straightened plates, without stress relief, showed an inverse relationship between bond strength and out of plane residual shear stress (τ13). Stress relief of τ13 was conducted over a range of temperatures/times (200-500 °C and 15-240 min) and led to corresponding improvements in bond strength. Fastest τ13 relief was obtained through 300 °C annealing. Elimination of microscopic shear bands, through recovery and partial recrystallization, was clearly the most effective mechanism of relieving τ13.

  1. SIMMER-III Analyses of Local Fuel-Coolant Interactions in a Simulated Molten Fuel Pool: Effect of Coolant Quantity

    Directory of Open Access Journals (Sweden)

    Songbai Cheng

    2015-01-01

    Full Text Available Studies on local fuel-coolant interactions (FCI in a molten pool are important for the analyses of severe accidents that could occur for sodium-cooled fast reactors (SFRs. To clarify the mechanisms underlying this interaction, in recent years, several experimental tests, with comparatively larger difference in coolant volumes, were conducted at the Japan Atomic Energy Agency by delivering a given quantity of water into a molten pool formed with a low-melting-point alloy. In this study, to further understand this interaction, interaction characteristics including the pressure buildup as well as mechanical energy release and its conversion efficiency are investigated using the SIMMER-III, an advanced fast reactor safety analysis code. It is found that the SIMMER-III code not only reasonably simulates the transient pressure and temperature variations during local FCIs, but also supports the limited tendency of pressurization and resultant mechanical energy release as observed from experiments when the volume of water delivered into the pool increases. The performed analyses also suggest that the most probable reason leading to such limited tendency should be primarily due to an isolation effect of vapor bubbles generated at the water-melt interface.

  2. Thermal Property Simulation of Zr{sub O}2-based Nanocomposites for Inert Matrix Fuel

    Energy Technology Data Exchange (ETDEWEB)

    Raj, Vivek Raj [Indian Institute of Technology-Kanpur, Kalyanpur (India); Mistarihi, Qusai M.; Ryu, Ho Jin [KAIST, Daejeon (Korea, Republic of)

    2015-05-15

    Inert matrix fuel (IMF) is a promising concept to incinerate TRU without further producing plutonium from U-238 which is a main host material for current nuclear fuels containing fissile isotopes such as U-235 or Pu-239. ZrO{sub 2} is one of the suitable materials for a matrix of IMF because it has an excellent chemical stability and an irradiation resistance. However, ZrO{sub 2} has a very low thermal conductivity around 3 W/mK at 1000 .deg. C which is not beneficial for the in-reactor fuel performances, and the low thermal conductivity might result in a high fission gas release and high fuel swelling. Therefore, enhancing the thermal conductivity of ZrO{sub 2} might be very effective in improving the fuel performance of ZrO{sub 2} based IMF. Metallic wires with a high thermal conductivity can be used as reinforcement for ZrO{sub 2}. In this study, Mo wire has been selected for the modeling and characterization of ZrO{sub 2}-based nanocomposites because Mo has a high thermal conductivity approximately 138 W/mK and a relatively low neutron absorption cross section. The experimental results and computational simulations presented a good agreement in estimating the effects of the reinforcement on the thermal conductivities of Mo reinforced ZrO{sub 2} nanocomposites. It is found that one of the most contributing factors to the enhancement of the thermal conductivity of ZrO{sub 2}-based nanocomposites is the interconnection of Mo wire.

  3. Rate Theory Modeling and Simulation of Silicide Fuel at LWR Conditions

    Energy Technology Data Exchange (ETDEWEB)

    Miao, Yinbin [Argonne National Lab. (ANL), Argonne, IL (United States). Nuclear Engineering Division; Ye, Bei [Argonne National Lab. (ANL), Argonne, IL (United States). Nuclear Engineering Division; Hofman, Gerard [Argonne National Lab. (ANL), Argonne, IL (United States). Nuclear Engineering Division; Yacout, Abdellatif [Argonne National Lab. (ANL), Argonne, IL (United States). Nuclear Engineering Division; Gamble, Kyle [Idaho National Lab. (INL), Idaho Falls, ID (United States). Fuel Modeling and Simulation; Mei, Zhi-Gang [Argonne National Lab. (ANL), Argonne, IL (United States). Nuclear Engineering Division

    2016-08-29

    As a promising candidate for the accident tolerant fuel (ATF) used in light water reactors (LWRs), the fuel performance of uranium silicide (U3Si2) at LWR conditions needs to be well understood. In this report, rate theory model was developed based on existing experimental data and density functional theory (DFT) calculations so as to predict the fission gas behavior in U3Si2 at LWR conditions. The fission gas behavior of U3Si2 can be divided into three temperature regimes. During steady-state operation, the majority of the fission gas stays in intragranular bubbles, whereas the dominance of intergranular bubbles and fission gas release only occurs beyond 1000 K. The steady-state rate theory model was also used as reference to establish a gaseous swelling correlation of U3Si2 for the BISON code. Meanwhile, the overpressurized bubble model was also developed so that the fission gas behavior at LOCA can be simulated. LOCA simulation showed that intragranular bubbles are still dominant after a 70 second LOCA, resulting in a controllable gaseous swelling. The fission gas behavior of U3Si2 at LWR conditions is benign according to the rate theory prediction at both steady-state and LOCA conditions, which provides important references to the qualification of U3Si2 as a LWR fuel material with excellent fuel performance and enhanced accident tolerance.

  4. Rate Theory Modeling and Simulation of Silicide Fuel at LWR Conditions

    Energy Technology Data Exchange (ETDEWEB)

    Miao, Yinbin [Argonne National Lab. (ANL), Argonne, IL (United States). Nuclear Engineering Division; Ye, Bei [Argonne National Lab. (ANL), Argonne, IL (United States). Nuclear Engineering Division; Hofman, Gerard [Argonne National Lab. (ANL), Argonne, IL (United States). Nuclear Engineering Division; Yacout, Abdellatif [Argonne National Lab. (ANL), Argonne, IL (United States). Nuclear Engineering Division; Gamble, Kyle [Idaho National Lab. (INL), Idaho Falls, ID (United States). Fuel Modeling and Simulation; Mei, Zhi-Gang [Argonne National Lab. (ANL), Argonne, IL (United States). Nuclear Engineering Division

    2016-08-29

    As a promising candidate for the accident tolerant fuel (ATF) used in light water reactors (LWRs), the fuel performance of uranium silicide (U3Si2) at LWR conditions need to be well-understood. In this report, rate theory model was developed based on existing experimental data and density functional theory (DFT) calculations so as to predict the fission gas behavior in U3Si2 at LWR conditions. The fission gas behavior of U3Si2 can be divided into three temperature regimes. During steady-state operation, the majority of the fission gas stays in intragranular bubbles, whereas the dominance of intergranular bubbles and fission gas release only occurs beyond 1000 K. The steady-state rate theory model was also used as reference to establish a gaseous swelling correlation of U3Si2 for the BISON code. Meanwhile, the overpressurized bubble model was also developed so that the fission gas behavior at LOCA can be simulated. LOCA simulation showed that intragranular bubbles are still dominant after a 70 second LOCA, resulting in a controllable gaseous swelling. The fission gas behavior of U3Si2 at LWR conditions is benign according to the rate theory prediction at both steady-state and LOCA conditions, which provides important references to the qualification of U3Si2 as a LWR fuel material with excellent fuel performance and enhanced accident tolerance.

  5. 3D COMSOL Simulations for Thermal Deflection of HFIR Fuel Plate in the "Cheverton-Kelley" Experiments

    Energy Technology Data Exchange (ETDEWEB)

    Jain, Prashant K [ORNL; Freels, James D [ORNL; Cook, David Howard [ORNL

    2012-08-01

    Three dimensional simulation capabilities are currently being developed at Oak Ridge National Laboratory using COMSOL Multiphysics, a finite element modeling software, to investigate thermal expansion of High Flux Isotope Reactor (HFIR) s low enriched uranium fuel plates. To validate simulations, 3D models have also been developed for the experimental setup used by Cheverton and Kelley in 1968 to investigate the buckling and thermal deflections of HFIR s highly enriched uranium fuel plates. Results for several simulations are presented in this report, and comparisons with the experimental data are provided when data are available. A close agreement between the simulation results and experimental findings demonstrates that the COMSOL simulations are able to capture the thermal expansion physics accurately and that COMSOL could be deployed as a predictive tool for more advanced computations at realistic HFIR conditions to study temperature-induced fuel plate deflection behavior.

  6. Modeling and simulation of the dynamic behavior of portable proton exchange membrane fuel cells

    Energy Technology Data Exchange (ETDEWEB)

    Ziegler, C.

    2005-07-01

    In order to analyze the operational behavior, a mathematical model of planar self-breathing fuel cells is developed and validated in Chapter 3 of this thesis. The multicomponent transport of the species is considered as well as the couplings between the transport processes of heat, charge, and mass and the electrochemical reactions. Furthermore, to explain the oxygen mass transport limitation in the porous electrode of the cathode side an agglomerate model for the oxygen reduction reaction is developed. In Chapter 4 the important issue of liquid water generation and transport in PEMFCs is addressed. One of the major tasks when operating this type of fuel cell is avoiding the complete flooding of the PEMFC during operation. A one-dimensional and isothermal model is developed that is based on a coupled system of partial differential equations. The model contains a dynamic and two-phase description of the proton exchange membrane fuel cell. The mass transport in the gas phase and in the liquid phase is considered as well as the phase transition between liquid water and water vapor. The transport of charges and the electrochemical reactions are part of the model. Flooding effects that are caused by liquid water accumulation are described by this model. Moreover, the model contains a time-dependent description of the membrane that accounts for Schroeder's paradox. The model is applied to simulate cyclic voltammograms. Chapter 5 is focused on the dynamic investigation of PEMFC stacks. Understanding the dynamic behavior of fuel cell stacks is important for the operation and control of fuel cell stacks. Using the single cell model of Chapter 3 and the dynamic model of Chapter 4 as basis, a mathematical model of a PEMFC stack is developed. However, due to the complexity of a fuel cell stack, the spatial resolution and dynamic description of the liquid water transport are not accounted for. These restrictions allow for direct comparison between the solution variables of

  7. Experiment and numerical simulation on the performance of a kw-scale molten carbonate fuel cell stack

    Directory of Open Access Journals (Sweden)

    L. J. Yu

    2007-12-01

    Full Text Available A high-temperature molten carbonate fuel cell stack was studied experimentally and computationally. Experimental data for fuel cell temperature was obtained when the stack was running under given operational conditions. A 3-D CFD numerical model was set up and used to simulate the central fuel cell in the stack. It includes the mass, momentum and energy conservation equations, the ideal gas law and an empirical equation for cell voltage. The model was used to simulate the transient behavior of the fuel cell under the same operational conditions as those of the experiment. Simulation results show that the transient temperature and current and power densities reach their maximal values at the channel outlet. A comparison of the modeling results and the experimental data shows the good agreement.

  8. Computational Simulation of Fuel Nozzle Multi Holes Geometries Effect on Direct Injection Diesel Engine Performance Using GT-POWER

    Directory of Open Access Journals (Sweden)

    Rosli A. Bakar

    2008-01-01

    Full Text Available The computational model simulation development is use the commercial computational fluid dynamics of GT-POWER 6.2 software were specially development for internal combustion engines performance simulation. The research concentrated on one dimensional model and focuses on fuel nozzles multi holes geometries variation developed from all of the engine components size measurement of the original selected diesel engine. All of the measurements data input to the window engines component menu for running input data in the model. Results of the diesel engine fuel nozzles multi holes geometries model simulation running is in GT-POST. The model performance shows in engine cylinder and engine crank-train on software window output. The performance analysis effect of the model investigated of fuel in-cylinder engine, indicated specific fuel consumption, indicated torque and indicated power of engine modeled. The simulation result was shows that the seven holes nozzle provided the best burning for fuel in-cylinder burned and the five holes nozzle provided the best for indicted power, indicated torque and indicated specific fuel consumption in any different engine speed in simulation.

  9. Simulation of irradiation hardening of Zircaloy within plate-type dispersion nuclear fuel elements

    Science.gov (United States)

    Jiang, Yijie; Wang, Qiming; Cui, Yi; Huo, Yongzhong; Ding, Shurong

    2011-06-01

    Within plate-type dispersion nuclear fuel elements, the metal matrix and cladding attacked continuously by fast neutrons undergo irradiation hardening, which might have remarkable effects upon the mechanical behaviors within fuel elements. In this paper, with the irradiation hardening effect of metal materials mainly considered together with irradiation growth effect of the cladding, the three-dimensional large-deformation constitutive relations for the metal matrix and cladding are developed. The method of virtual temperature increase in the previous studies is further developed to model the irradiation swelling of fuel particles; the method of anisotropic thermal expansion is introduced to model irradiation growth of the cladding; and a method of multi-step-temperature loading is proposed to simulate the coupling features of irradiation-induced swelling of the fuel particles together with irradiation growth of the cladding. Above all, based on the developed relationship between irradiation growth at certain burnup and the loaded virtual temperatures, with considering that certain burnup corresponds to certain fast neutron fluence, the time-dependent constitutive relation due to irradiation hardening effect is replaced by the virtual-temperature-dependent one which is introduced into the commercial software to simulate the irradiation hardening effects of the matrix and cladding. Numerical simulations of the irradiation-induced mechanical behaviors are implemented with the finite element method in consideration of the micro-structure of the fuel meat. The obtained results indicate that when the irradiation hardening effects are introduced into the constitutive relations of the metal matrix and cladding: (1) higher maximum Mises stresses for certain burnup at the matrix exist with the equivalent plastic strains remaining almost the same at lower burnups; (2) the maximum Mises stresses for certain burnup at the cladding are enhanced while the maximum equivalent

  10. Lattice Boltzmann Simulation of Multiphase Transport in Nanostructured PEM Fuel Cells

    Science.gov (United States)

    Stiles, Christopher D.

    As the fossil fuel crisis becomes more critical, it is imperative to develop renewable sources of power generation. Polymer electrolyte membrane (PEM) fuel cells are considered a viable option. However, the cost of the platinum catalyst has hindered their commercialization. PEM fuel cells with platinum loading of >0.4 mg cm2 are common. Efforts towards further reducing this loading are currently underway utilizing nanostructured electrodes. A consequence of increased platinum utilization per unit area and thinner nanostructured electrodes is flooding, which is detrimental to fuel cell performance. Flooding causes a two-fold impact on cell performance: a drop in cell voltage and a rise in parasitic pumping power to overcome the increased pressure drop, which together result in a significant reduction in system efficiency. Proper water management is therefore crucial for optimum performance of the fuel cell and also for enhancing membrane durability. The goal of this thesis is to simulate the multiphase fluid transport in the nanostructured PEMFC of H2O in air with realistic density ratios. In order to pursue this goal, the ability of the pseudopotential based multiphase lattice Boltzmann method to realistically model the coexistence of the gas and liquid phases of H2O at low temperatures is explored. This method is expanded to include a gas mixture of O2 and N 2 into the multiphase H2O systems. Beginning with the examination of the phase transition region described by the current implementation of the multiphase pseudopotential lattice Boltzmann model. Following this, a modified form of the pressure term with the use of a scalar multiplier kappa for the Peng-Robinson equation of state is thoroughly investigated. This method proves to be very effective at enabling numerically stable simulations at low temperatures with large density ratios. It is found that for decreasing values of kappa, this model leads to an increase in multiphase interface thickness and a

  11. Numerical Simulation of Vitiation Effects on a Hydrogen-Fueled Dual-Mode Scramjet

    Science.gov (United States)

    Vyas, Manan A.; Engblom, William A.; Georgiadis, Nicholas J.; Trefny, Charles J.; Bhagwandin, Vishal A.

    2010-01-01

    The Wind-US computational fluid dynamics (CFD) flow solver was used to simulate dual-mode direct-connect ramjet/scramjet engine flowpath tests conducted in the University of Virginia (UVa) Supersonic Combustion Facility (SCF). The objective was to develop a computational capability within Wind-US to aid current hypersonic research and provide insight to flow as well as chemistry details that are not resolved by instruments available. Computational results are compared with experimental data to validate the accuracy of the numerical modeling. These results include two fuel-off non-reacting and eight fuel-on reacting cases with different equivalence ratios, split between one set with a clean (non-vitiated) air supply and the other set with a vitiated air supply (12 percent H2O vapor). The Peters and Rogg hydrogen-air chemical kinetics model was selected for the scramjet simulations. A limited sensitivity study was done to investigate the choice of turbulence model and inviscid flux scheme and led to the selection of the k-epsilon model and Harten, Lax and van Leer (for contact waves) (HLLC) scheme for general use. Simulation results show reasonably good agreement with experimental data and the overall vitiation effects were captured.

  12. Modelling and Simulation of Fuel Cell Dynamics for Electrical Energy Usage of Hercules Airplanes

    Directory of Open Access Journals (Sweden)

    Hamid Radmanesh

    2014-01-01

    Full Text Available Dynamics of proton exchange membrane fuel cells (PEMFC with hydrogen storage system for generating part of Hercules airplanes electrical energy is presented. Feasibility of using fuel cell (FC for this airplane is evaluated by means of simulations. Temperature change and dual layer capacity effect are considered in all simulations. Using a three-level 3-phase inverter, FC’s output voltage is connected to the essential bus of the airplane. Moreover, it is possible to connect FC’s output voltage to airplane DC bus alternatively. PID controller is presented to control flow of hydrogen and oxygen to FC and improve transient and steady state responses of the output voltage to load disturbances. FC’s output voltage is regulated via an ultracapacitor. Simulations are carried out via MATLAB/SIMULINK and results show that the load tracking and output voltage regulation are acceptable. The proposed system utilizes an electrolyser to generate hydrogen and a tank for storage. Therefore, there is no need for batteries. Moreover, the generated oxygen could be used in other applications in airplane.

  13. Study on a Closed-Loop Air-Fuel Control System of Gasoline Engines by Simulation

    Institute of Scientific and Technical Information of China (English)

    张付军; 赵长禄; 黄英; 郝利军

    2003-01-01

    In order to study the factors that influence the air-fuel ratio(A/F), the amplitude and frequency of A/F fluctuation, to reform the control strategy, and to improve the efficiency of three-way catalyst(TWC), a model of closed-loop control system including the engine, air-fuel mixing and transportation, oxygen sensor and controller, etc., is developed. Various factors that influence the A/F control are studied by simulation. The simulation results show that the reference voltage of oxygen sensor will influence the mean value of A/F ratio, the controller parameters will influence the amplitude of A/F fluctuation, and the operating conditions of the engine determine the frequency of A/F fluctuations, the amplitude of A/F fluctuation can be reduced to within demanded values by logical selection of the signal acquisition method and controller parameters. Higher A/F fluctuation frequency under high speed and load can be reduced through software delay in the controller. The A/F closed-loop control system based on the simulation results, accompanied with a rare-earth element TWC, gives a better efficiency of conversion against harmful emissions.

  14. Modelization and Simulation of an Electric and Fuel Cell Hybrid Vehicle under Real Conditions

    Directory of Open Access Journals (Sweden)

    Victor Alfonsin

    2015-06-01

    Full Text Available This paper presents a toolbox for the simulation of a zero emission urban hybrid bus, which combines batteries and fuel cells. This type of vehicle performs predefined routes with a certain frequency, then they are an ideal option to the replacement of combustion engines with renewable energy systems. The simulation of these vehicles can be made for different standard driving cycles (ECE-15, EUDC, NEDC, SFUDS or for real routes from GPS device data. This will allow to consider the orography of the route, considering the slope that overcomes the vehicle at each time, generally this parameter is not included in other models, and it could become a determining factor for the applicability of these vehicles on certain specified routes. Moreover, this tool lets to study and to analyse other not easily quantifiable factors, such as the weather or peak-hour traffic. Finally, the performance of an urban hybrid bus was investigated to assess its theoretical range and the technical feasibility of zero-emission vehicles. Keywords: Electric vehicle; Battery; Fuel cell; Hydrogen; Simulation 

  15. Modelling and simulation of fuel cell dynamics for electrical energy usage of Hercules airplanes.

    Science.gov (United States)

    Radmanesh, Hamid; Heidari Yazdi, Seyed Saeid; Gharehpetian, G B; Fathi, S H

    2014-01-01

    Dynamics of proton exchange membrane fuel cells (PEMFC) with hydrogen storage system for generating part of Hercules airplanes electrical energy is presented. Feasibility of using fuel cell (FC) for this airplane is evaluated by means of simulations. Temperature change and dual layer capacity effect are considered in all simulations. Using a three-level 3-phase inverter, FC's output voltage is connected to the essential bus of the airplane. Moreover, it is possible to connect FC's output voltage to airplane DC bus alternatively. PID controller is presented to control flow of hydrogen and oxygen to FC and improve transient and steady state responses of the output voltage to load disturbances. FC's output voltage is regulated via an ultracapacitor. Simulations are carried out via MATLAB/SIMULINK and results show that the load tracking and output voltage regulation are acceptable. The proposed system utilizes an electrolyser to generate hydrogen and a tank for storage. Therefore, there is no need for batteries. Moreover, the generated oxygen could be used in other applications in airplane.

  16. Developing the User Experience for a Next Generation Nuclear Fuel Cycle Simulator (NGFCS)

    Energy Technology Data Exchange (ETDEWEB)

    Wilson, Paul H. [Univ. of Wisconsin, Madison, WI (United States); Schneider, Erich [Univ. of Texas, Austin, TX (United States); Pascucci, Valerio [Univ. of Utah, Salt Lake City, UT (United States); Livnat, Yarden [Univ. of Utah, Salt Lake City, UT (United States); Hiromoto, Robert [Univ. of Idaho, Moscow, ID (United States); Scopatz, Anthony [Univ. of Wisconsin, Madison, WI (United States); Brossard, Dominique [Univ. of Wisconsin, Madison, WI (United States); Scheufele, Dietram [Univ. of Wisconsin, Madison, WI (United States)

    2017-07-30

    This project made substantial progress on its original aim for providing a modern user experience for nuclear fuel cycle analysis while also creating a robust and functional next- generation fuel cycle simulator. The Cyclus kernel experienced a dramatic clari cation of its interfaces and data model, becoming a full- edged agent-based framework, with strong support for third party developers of novel archetypes. The most important contribution of this project to the the development of Cyclus was the introduction of tools to facilitate archetype development. These include automated code generation of routine archetype components, metadata annotations to provide re ection and rich description of each data member's purpose, and mechanisms for input validation and output of complex data. A comprehensive social science investigation of decision makers' interests in nuclear fuel cycles, and speci cally their interests in nuclear fuel cycle simulators (NFCSs) as tools for understanding nuclear fuel cycle options, was conducted. This included document review and analysis, stakeholder interviews, and a survey of decision makers. This information was used to study the role of visualization formats and features in communicating information about nuclear fuel cycles. A exible and user-friendly tool was developed for building Cyclus analysis models, featuring a drag-and-drop interface and automatic input form generation for novel archetypes. Cycic allows users to design fuel cycles from arbitrary collections of facilities for the rst time, with mechanisms that contribute to consistency within that fuel cycle. Interacting with some of the metadata capabilities introduced in the above-mentioned tools to support archetype development, Cycic also automates the generation of user input forms for novel archetypes with little to no special knowledge required by the archetype developers. Translation of the fundamental metrics of Cyclus into more interesting quantities is

  17. Modeling and simulation of high-temperature polymer electrolyte fuel cells; Modellierung und Simulation von Hochtemperatur-Polymerelektrolyt-Brennstoffzellen

    Energy Technology Data Exchange (ETDEWEB)

    Kvesic, Mirko

    2012-07-01

    Fuel cells are electrochemical energy converters that convert chemical energy of constantly fed reactants directly into electricity. The most commonly used fuel gas in this respect is hydrogen, which is either produced in pure form by electrolysis, for example, or as a hydrogen-rich gas mixture (reformate gas), produced by reforming diesel or kerosene e.g. However, a disadvantage of reformate gas is that it contains additional carbon monoxide (CO), which leads to catalyst poisoning in the fuel cell. Since higher operating temperatures also lead to a higher CO tolerance, the use of high-temperature Polymer-Electrolyte-Fuel-Cells (HT-PEFCs) is particularly suitable for reformate operation. The aim of the presented work is the modeling and CFD-simulation of HT-PEFC stacks with the intention of gaining a better understanding of multi-physical processes in the stack operation as well as the optimization and analysis of existing stack designs. The geometric modeling used is based on the Porous Volume Model, which significantly reduces the required number of computing elements. Furthermore, the electrochemical models for hydrogen / air and reformate / air operation, which were taking the CO poisoning effects into account, are developed in this work and implemented in the software ANSYS / Fluent. The resulting simulations indicated the optimal flow configuration for the stack operation in terms of the homogeneous current density distribution, which has a positive effect on the stack aging. Thus, the current densities showed a strong homogeneity regarding the stack configuration anode / cathode in counter-flow and anode / cooling in co-flow. The influence of cooling strategies was examined for the stack performance in a similar way. In the following, the local temperature distribution as well as temperature peaks within the stack could be predicted and validated with experimental measurements. Further on, the model scalability and thus the general validity of the developed

  18. Optimal Protection of Reactor Hall Under Nuclear Fuel Container Drop Using Simulation Methods

    Directory of Open Access Journals (Sweden)

    Králik Juraj

    2014-12-01

    Full Text Available This paper presents of the optimal design of the damping devices cover of reactor hall under impact of nuclear fuel container drop of type TK C30. The finite element idealization of nuclear power plant structure is used in software ANSYS. The steel pipe damper system is proposed for dissipation of the kinetic energy of the container free fall in comparison with the experimental results. The probabilistic and sensitivity analysis of the damping devices was considered on the base of the simulation methods in program AntHill using the Monte Carlo method.

  19. Thinned fibre Bragg grating as a fuel adulteration sensor: simulation and experimental study

    Science.gov (United States)

    Agarwal, S.; Prajapati, Y. K.; Mishra, V.

    2015-12-01

    This paper presents the implementation of a thinned fibre Bragg grating as a fuel adulteration sensor for volatile organic compounds. The proposed sensor can detect upto 10% adulteration of benzene, toluene and xylene: hydrocarbons precisely, whereas traditional methods can detect only upto 20% adulteration. The results obtained from the experiments are verified using Finite Difference Time Domain method. It is found that experimental results have very less deviation from simulation results. The proposed sensor provides us with the new possibility that may have commercial application, as well.

  20. Hydrolysis/dehydration/aldol-condensation/hydrogenation of lignocellulosic biomass and biomass-derived carbohydrates in the presence of Pd/WO3-ZrO2 in a single reactor.

    Science.gov (United States)

    Dedsuksophon, W; Faungnawakij, K; Champreda, V; Laosiripojana, N

    2011-01-01

    Hydrolysis/dehydration/aldol-condensation/hydrogenation of lignocellulosic-biomass (corncobs) and biomass-derived carbohydrates (tapioca flour) to produce water-soluble C5-C15 compounds was developed in a single reactor system. WO3-ZrO2 efficiently catalyzed the hydrolysis/dehydration of these feedstocks to 5-hydroxymethylfurfural and furfural, while the impregnation of WO3-ZrO2 with Pd allowed sequential aldolcondensation/hydrogenation of these furans to C5-C15 compounds. The highest C5-C15 yields of 14.8-20.3% were observed at a hydrolysis/dehydration temperature of 573 K for 5 min, an aldol-condensation temperature of 353 K for 30 h, and a hydrogenation temperature of 393 K for 6 h. The C5-C15 yield from tapioca flour was higher than that from corncobs (20.3% compared to 14.8%). Tapioca flour produced more C6/C9/C15, whereas corncobs generated more C5/C8/C13 compounds due to the presence of hemicellulose in the corncobs. These water-soluble organic compounds can be further converted to liquid alkanes with high cetane numbers for replacing diesel fuel in transportation applications.

  1. Gothic simulation of single-channel fuel heatup following a loss of forced flow

    Energy Technology Data Exchange (ETDEWEB)

    Chen, X-Q; Tahir, A. [NSS, Dept. of Thermal Hydraulics Analysis, Toronto, Ontario (Canada); Parlatan, Y. [Ontario Power Generation, NSATD, Pickering, Ontario (Canada); Kwee, M. [Bruce Power, NSASD, Toronto, Ontario (Canada)

    2011-07-01

    GOTHIC v7.2 was used to develop a computer model for the simulation of 28- and 37-element fuel heat-up at a loss of forced flow. The model has accounted for the non-uniformity of both axial and radial power distributions along the fuel channel for a typical CANDU reactor. In addition, the model has also accounted for the fuel rods, end-fittings, feeders and headers. Experimental test conditions for both 28- and 37-element bundles at either low or high powers were used for model validation. GOTHIC predictions of the rod and/or pressure-tube temperatures at a variety of test locations were compared with the corresponding experimental measurements. It is found that the numerical results agree well with the experimental measurements for most of the test locations. Results have also shown that the channel venting time is sensitive to the initial temperature distribution in the feeders and headers. An imposed temperature asymmetry at the beginning will cause the channel flow to vent earlier. (author)

  2. Atomistic simulations of thermodynamic properties of Xe gas bubbles in U10Mo fuels

    Energy Technology Data Exchange (ETDEWEB)

    Hu, Shenyang; Setyawan, Wahyu; Joshi, Vineet V.; Lavender, Curt A.

    2017-04-15

    Xe gas bubble superlattice formation is observed in irradiated uranium–10 wt% molybdenum (U10Mo) fuels. However, the thermodynamic properties of the bubbles (the relationship among bubble size, equilibrium Xe concentration, and bubble pressure) and the mechanisms of bubble growth and superlattice formation are not well known. In this work, molecular dynamics is used to study these properties and mechanisms. The results provide important inputs for quantitative mesoscale models of gas bubble evolution and fuel performance. In the molecular dynamics simulations, the embedded-atom method (EAM) potential of U10Mo-Xe (Smirnova et al. 2013) is employed. Initial gas bubbles with low Xe concentration are generated in a U10Mo single crystal. Then Xe atom atoms are continuously added into the bubbles, and the evolution of pressure and dislocation emission around the bubbles is analyzed. The relationship between pressure, equilibrium Xe concentration, and radius of the bubbles is established. It was found that the gas bubble growth is accompanied by partial dislocation emission, which results in a star-shaped dislocation structure and an anisotropic stress field. The emitted partial dislocations have a Burgers vector along the <111> direction and a slip plane of (11-2). Dislocation loop punch-out was not observed. A tensile stress was found along <110> directions around the bubble, favoring the nucleation and formation of a face-centered cubic bubble superlattice in body-centered cubic U10Mo fuels.

  3. Design and simulation of novel flow field plate geometry for proton exchange membrane fuel cells

    Science.gov (United States)

    Ruan, Hanxia; Wu, Chaoqun; Liu, Shuliang; Chen, Tao

    2016-10-01

    Bipolar plate is one of the many important components of proton exchange membrane fuel cell (PEMFC) stacks as it supplies fuel and oxidant to the membrane-electrode assembly (MEA), removes water, collects produced current and provides mechanical support for the single cells in the stack. The flow field design of a bipolar plate greatly affects the performance of a PEMFC. It must uniformly distribute the reactant gases over the MEA and prevent product water flooding. This paper aims at improving the fuel cell performance by optimizing flow field designs and flow channel configurations. To achieve this, a novel biomimetic flow channel for flow field designs is proposed based on Murray's Law. Computational fluid dynamics based simulations were performed to compare three different designs (parallel, serpentine and biomimetic channel, respectively) in terms of current density distribution, power density distribution, pressure distribution, temperature distribution, and hydrogen mass fraction distribution. It was found that flow field designs with biomimetic flow channel perform better than that with convectional flow channel under the same operating conditions.

  4. Simulation of NOx emission in circulating fluidized beds burning low-grade fuels

    Energy Technology Data Exchange (ETDEWEB)

    Afsin Gungor [Nigde University, Nigde (Turkey). Faculty of Engineering and Architecture

    2009-05-15

    Nitrogen oxides are a major environmental pollutant resulting from combustion. This paper presents a modeling study of pollutant NOx emission resulting from low-grade fuel combustion in a circulating fluidized bed. The simulation model accounts for the axial and radial distribution of NOx emission in a circulating fluidized bed (CFB). The model results are compared with and validated against experimental data both for small-size and industrial-size CFBs that use different types of low-grade fuels given in the literature. The present study proves that CFB combustion demonstrated by both experimental data and model predictions produces low and acceptable levels of NOx emissions resulting from the combustion of low-grade fuels. Developed model can also investigate the effects of different operational parameters on overall NOx emission. As a result of this investigation, both experimental data and model predictions show that NOx emission increases with the bed temperature but decreases with excess air if other parameters are kept unchanged. 37 refs., 5 figs., 5 tabs.

  5. Producing fuel alcohol by extractive distillation: Simulating the process with glycerol

    Directory of Open Access Journals (Sweden)

    Ana María Uyazán

    2010-07-01

    Full Text Available Downstream separation processes in biotechnology form part of the stages having most impact on a product’s final cost. The tendency throughout the world today is to replace fossil fuels with those having a renewable origin such as ethanol; this, in turn, produces a demand for the same and the need for optimising fermentation, treating vinazas and dehydration processes. The present work approaches the problem of dehydration through simulating azeotropic ethanol extractive distillation using glycerol as separation agent. Simulations were done on an Aspen Plus process simulator (Aspen Tech version 11.1. The simulated process involves two distillation columns, a dehydrator and a glycerol recuperation column. Simulation restrictions were ethanol’s molar composition in dehydrator column distillate and the process’s energy consumption. The effect of molar reflux ratio, solvent-feed ratio, solvent entry and feed stage and solvent entry temperature were evaluated on the chosen restrictions. The results showed that the ethanol-water mixture dehydration with glycerol as separation agent is efficient from the energy point of view.

  6. Advanced CFD simulations of turbulent flows around appendages in CANDU fuel bundles

    Energy Technology Data Exchange (ETDEWEB)

    Abbasian, F.; Hadaller, G.I.; Fortman, R.A., E-mail: fabbasian@sternlab.com [Stern Laboratories Inc., Hamilton, Ontario (Canada)

    2013-07-01

    Computational Fluid Dynamics (CFD) was used to simulate the coolant flow in a modified 37-element CANDU fuel bundle, in order to investigate the effects of the appendages on the flow field. First, a subchannel model was created to qualitatively analyze the capabilities of different turbulence models such as k.ε, Reynolds Normalization Group (RNG), Shear Stress Transport (SST) and Large Eddy Simulation (LES). Then, the turbulence model with the acceptable quality was used to investigate the effects of positioning appendages, normally used in CANDU 37-element Critical Heat Flux (CHF) experiments, on the flow field. It was concluded that the RNG and SST models both show improvements over the k.ε method by predicting cross flow rates closer to those predicted by the LES model. Also the turbulence effects in the k.ε model dissipate quickly downstream of the appendages, while in the RNG and SST models appear at longer distances similar to the LES model. The RNG method simulation time was relatively feasible and as a result was chosen for the bundle model simulations. In the bundle model simulations it was shown that the tunnel spacers and leaf springs, used to position the bundles inside the pressure tubes in the experiments, have no measureable dominant effects on the flow field. The flow disturbances are localized and disappear at relatively short streamwise distances. (author)

  7. Development of a charge-transfer distribution model for stack simulation of solid oxide fuel cells

    Science.gov (United States)

    Onaka, H.; Iwai, H.; Kishimoto, M.; Saito, M.; Yoshida, H.; Brus, G.; Szmyd, J. S.

    2016-09-01

    An overpotential model for planar solid oxide fuel cells (SOFCs) is developed and applied to a stack numerical simulation. Charge-transfer distribution within the electrodes are approximated using an exponential function, based on which the Ohmic loss and activation overpotential are evaluated. The predicted current-voltage characteristics agree well with the experimental results, and also the overpotentials within the cell can reproduce the results obtained from a numerical analysis where the distribution of the charge-transfer current within the electrodes is fully solved. The proposed model is expected to be useful to maintain the accuracy of SOFC simulations when the cell components, consisting of anode, electrolyte and cathode, are simplified into one layer element.

  8. Numerical Simulation for Flow Distribution in ACE7 Fuel Assemblies affected by a Spacer Grid Deformation

    Energy Technology Data Exchange (ETDEWEB)

    Park, Jongpil; Jeong, Ji Hwan [Korea Atomic Energy Research Institute, Daejeon (Korea, Republic of)

    2014-05-15

    In spite of various efforts to understand hydraulic phenomena in a rod bundle containing deformed rods due to swelling and/or ballooning of clad, the studies for flow blockage due to spacer grid deformation have been limited. In the present work, 3D CFD analysis for flow blockage was performed to evaluate coolant flow within ACE7 fuel assemblies (FAs) containing a FA affected by a spacer grid deformation. The real geometry except for inner grids was used in the simulation and the region including inner grid was replaced by porous media. In the present work, the numerical simulation was performed to predict coolant flow within ACE7 FAs affected by a Mid grid deformation. The 3D CFD result shows that approximately 60 subchannel hydraulic diameter is required to fully recover coolant flow under normal operating condition.

  9. Catalytic and electrochemical behaviour of solid oxide fuel cell operated with simulated-biogas mixtures

    Science.gov (United States)

    Dang-Long, T.; Quang-Tuyen, T.; Shiratori, Y.

    2016-06-01

    Being produced from organic matters of wastes (bio-wastes) through a fermentation process, biogas mainly composed of CH4 and CO2 and can be considered as a secondary energy carrier derived from solar energy. To generate electricity from biogas through the electrochemical process in fuel cells is a state-of-the-art technology possessing higher energy conversion efficiency without harmful emissions compared to combustion process in heat engines. Getting benefits from high operating temperature such as direct internal reforming ability and activation of electrochemical reactions to increase overall system efficiency, solid oxide fuel cell (SOFC) system operated with biogas becomes a promising candidate for distributed power generator for rural applications leading to reductions of environmental issues caused by greenhouse effects and bio-wastes. CO2 reforming of CH4 and electrochemical oxidation of the produced syngas (H2-CO mixture) are two main reaction processes within porous anode material of SOFC. Here catalytic and electrochemical behavior of Ni-ScSZ (scandia stabilized-zirconia) anode in the feed of CH4-CO2 mixtures as simulated-biogas at 800 °C were evaluated. The results showed that CO2 had strong influences on both reaction processes. The increase in CO2 partial pressure resulted in the decrease in anode overvoltage, although open-circuit voltage was dropped. Besides that, the simulation result based on a power-law model for equimolar CH4-CO2 mixture revealed that coking hazard could be suppressed along the fuel flow channel in both open-circuit and closed-circuit conditions.

  10. Catalytic and electrochemical behaviour of solid oxide fuel cell operated with simulated-biogas mixtures

    Energy Technology Data Exchange (ETDEWEB)

    Dang-Long, T., E-mail: 3TE14098G@kyushu-u.ac.jp [Department of Hydrogen Energy Systems, Faculty of Engineering, Kyushu University Motooka 744, Nishiku, Fukuoka, 810-0395 (Japan); Quang-Tuyen, T., E-mail: tran.tuyen.quang.314@m.kyushu-u.ac.jp [International Research Center for Hydrogen Energy, Kyushu University Motooka 744, Nishiku, Fukuoka, 810-0395 (Japan); Shiratori, Y., E-mail: shiratori.yusuke.500@m.kyushu-u.ac.jp [Department of Hydrogen Energy Systems, Faculty of Engineering, Kyushu University Motooka 744, Nishiku, Fukuoka, 810-0395 (Japan); International Research Center for Hydrogen Energy, Kyushu University Motooka 744, Nishiku, Fukuoka, 810-0395 (Japan)

    2016-06-03

    Being produced from organic matters of wastes (bio-wastes) through a fermentation process, biogas mainly composed of CH{sub 4} and CO{sub 2} and can be considered as a secondary energy carrier derived from solar energy. To generate electricity from biogas through the electrochemical process in fuel cells is a state-of-the-art technology possessing higher energy conversion efficiency without harmful emissions compared to combustion process in heat engines. Getting benefits from high operating temperature such as direct internal reforming ability and activation of electrochemical reactions to increase overall system efficiency, solid oxide fuel cell (SOFC) system operated with biogas becomes a promising candidate for distributed power generator for rural applications leading to reductions of environmental issues caused by greenhouse effects and bio-wastes. CO{sub 2} reforming of CH{sub 4} and electrochemical oxidation of the produced syngas (H{sub 2}–CO mixture) are two main reaction processes within porous anode material of SOFC. Here catalytic and electrochemical behavior of Ni-ScSZ (scandia stabilized-zirconia) anode in the feed of CH{sub 4}–CO{sub 2} mixtures as simulated-biogas at 800 °C were evaluated. The results showed that CO{sub 2} had strong influences on both reaction processes. The increase in CO{sub 2} partial pressure resulted in the decrease in anode overvoltage, although open-circuit voltage was dropped. Besides that, the simulation result based on a power-law model for equimolar CH{sub 4}−CO{sub 2} mixture revealed that coking hazard could be suppressed along the fuel flow channel in both open-circuit and closed-circuit conditions.

  11. Evaluation of fuel consumption potential of medium and heavy duty vehicles through modeling and simulation.

    Energy Technology Data Exchange (ETDEWEB)

    Delorme, A.; Karbowski, D.; Sharer, P.; Energy Systems

    2010-03-31

    The main objective of this report is to provide quantitative data to support the Committee in its task of establishing a report to support rulemaking on medium- and heavy-duty fuel efficiency improvement. In particular, it is of paramount importance for the Committee to base or illustrate their conclusions on established models and actual state-of-the art data. The simulations studies presented in the report have been defined and requested by the members of the National Academy committee to provide quantitative inputs to support their recommendations. As such, various technologies and usage scenarios were considered for several applications. One of the objective is to provide the results along with their associated assumptions (both vehicle and drive cycles), information generally missing from public discussions on literature search. Finally, the advantages and limitations of using simulation will be summarized. The study addresses several of the committee tasks, including: (1) Discussion of the implication of metric selection; (2) Assessing the impact of existing technologies on fuel consumption through energy balance analysis (both steady-state and standard cycles) as well as real world drive cycles; and (3) Impact of future technologies, both individually and collectively.

  12. Computational Flame Diagnostics for Direct Numerical Simulations with Detailed Chemistry of Transportation Fuels

    Energy Technology Data Exchange (ETDEWEB)

    Lu, Tianfeng [Univ. of Connecticut, Storrs, CT (United States)

    2017-02-16

    The goal of the proposed research is to create computational flame diagnostics (CFLD) that are rigorous numerical algorithms for systematic detection of critical flame features, such as ignition, extinction, and premixed and non-premixed flamelets, and to understand the underlying physicochemical processes controlling limit flame phenomena, flame stabilization, turbulence-chemistry interactions and pollutant emissions etc. The goal has been accomplished through an integrated effort on mechanism reduction, direct numerical simulations (DNS) of flames at engine conditions and a variety of turbulent flames with transport fuels, computational diagnostics, turbulence modeling, and DNS data mining and data reduction. The computational diagnostics are primarily based on the chemical explosive mode analysis (CEMA) and a recently developed bifurcation analysis using datasets from first-principle simulations of 0-D reactors, 1-D laminar flames, and 2-D and 3-D DNS (collaboration with J.H. Chen and S. Som at Argonne, and C.S. Yoo at UNIST). Non-stiff reduced mechanisms for transportation fuels amenable for 3-D DNS are developed through graph-based methods and timescale analysis. The flame structures, stabilization mechanisms, local ignition and extinction etc., and the rate controlling chemical processes are unambiguously identified through CFLD. CEMA is further employed to segment complex turbulent flames based on the critical flame features, such as premixed reaction fronts, and to enable zone-adaptive turbulent combustion modeling.

  13. Evaluation of materials for bipolar plates in simulated PEM fuel-cell cathodic environments

    Energy Technology Data Exchange (ETDEWEB)

    Rivas, S.V.; Belmonte, M.R.; Moron, L.E.; Torres, J.; Orozco, G. [Centro de Investigacion y Desarrollo Technologico en Electroquimica S.C. Parcque Sanfandila, Queretaro (Mexico); Perez-Quiroz, J.T. [Mexican Transport Inst., Queretaro (Mexico); Cortes, M. A. [Mexican Petroleum Inst., Mexico City (Mexico)

    2008-04-15

    The bipolar plates in proton exchange membrane fuel cells (PEMFC) are exposed to an oxidizing environment on the cathodic side, and therefore are susceptible to corrosion. Corrosion resistant materials are needed for the bipolar plates in order to improve the lifespan of fuel cells. This article described a study in which a molybdenum (Mo) coating was deposited over austenitic stainless steel 316 and carbon steel as substrates in order to evaluate the resulting surfaces with respect to their corrosion resistance in simulated anodic and cathodic PEMFC environments. The molybdenum oxide films were characterized by scanning electron microscopy (SEM) and Raman spectroscopy. The article presented the experiment and discussed the results of the corrosion behaviour of coated stainless steel. In general, the electrochemical characterization of bare materials and coated steel consisted of slow potentiodynamic polarization curves followed by a constant potential polarization test. The test medium was 0.5M sulfuric acid with additional introduction of oxygen to simulate the cathodic environment. All tests were performed at ambient temperature and at 50 degrees Celsius. The potentiostat used was a Gamry instrument. It was concluded that it is possible to deposit Mo-oxides on steel without using another alloying metal. The preferred substrate for corrosion prevention was found to be an alloy with high chromium content. 24 refs., 4 figs.

  14. Differential Die-Away Instrument: Report on Initial Simulations of Spent Fuel Experiment

    Energy Technology Data Exchange (ETDEWEB)

    Goodsell, Alison V. [Los Alamos National Lab. (LANL), Los Alamos, NM (United States); Henzl, Vladimir [Los Alamos National Lab. (LANL), Los Alamos, NM (United States); Swinhoe, Martyn T. [Los Alamos National Lab. (LANL), Los Alamos, NM (United States)

    2014-04-01

    New Monte Carlo simulations of the differential die-away (DDA) instrument response to the assay of spent and fresh fuel helped to redefine the signal-to-Background ratio and the effects of source neutron tailoring on the system performance. Previously, burst neutrons from the neutron generator together with all neutrons from a fission chain started by a fast fission of 238U were considered to contribute to active background counts. However, through additional simulations, the magnitude of the 238U first fission contribution was found to not affect the DDA performance in reconstructing 239Pueff. As a result, the newly adopted DDA active background definition considers now any neutrons within a branch of the fission chain that does not include at least one fission event induced by a thermal neutron, before being detected, to be the active background. The active background, consisting thus of neutrons from a fission chain or its individual branches composed entirely of sequence of fast fissions on any fissile or fissionable nuclei, is not expected to change significantly with different fuel assemblies. Additionally, while source tailoring materials surrounding the neutron generator were found to influence and possibly improve the instrument performance, the effect was not substantial.

  15. Numerical simulation of fuel sprays and combustion in a premixed lean diesel engine; Kihaku yokongo diesel kikan ni okeru nenryo funmu to nensho no suchi simulation

    Energy Technology Data Exchange (ETDEWEB)

    Miyamoto, T.; Harada, A.; Sasaki, S.; Shimazaki, N.; Hashizume, T.; Akagawa, H.; Tsujimura, K.

    1997-10-01

    Fuel sprays and combustion in a direct injection Premixed lean Diesel Combustion (PREDIC) engine, which can make smokeless combustion with little NOx emission, is studied numerically. Numerical simulation was carried out by means of KIVA II based computer code with a combustion submodel. The combustion submodel describes the formation of combustible fuel vapor by turbulent mixing and four-step chemical reaction which includes low temperature oxidation. Comparison between computation and experiment shows qualitatively good agreement in terms of heat release rate and NO emission. Computational results indicate that the combustion is significantly influenced by fuel spray characteristics and injection timing to vary NO emission. 10 refs., 8 figs., 1 tab.

  16. Development of numerical simulation system for thermal-hydraulic analysis in fuel assembly of sodium-cooled fast reactor

    Science.gov (United States)

    Ohshima, Hiroyuki; Uwaba, Tomoyuki; Hashimoto, Akihiko; Imai, Yasutomo; Ito, Masahiro

    2015-12-01

    A numerical simulation system, which consists of a deformation analysis program and three kinds of thermal-hydraulics analysis programs, is being developed in Japan Atomic Energy Agency in order to offer methodologies to clarify thermal-hydraulic phenomena in fuel assemblies of sodium-cooled fast reactors under various operating conditions. This paper gives the outline of the system and its applications to fuel assembly analyses as a validation study.

  17. Development of numerical simulation system for thermal-hydraulic analysis in fuel assembly of sodium-cooled fast reactor

    Energy Technology Data Exchange (ETDEWEB)

    Ohshima, Hiroyuki; Uwaba, Tomoyuki [Japan Atomic Energy Agency (4002 Narita, O-arai, Ibaraki 311-1393, Japan) (Japan); Hashimoto, Akihiko; Imai, Yasutomo [NDD Corporation (1-1-6 Jounan, Mito, Ibaraki 310-0803, Japan) (Japan); Ito, Masahiro [NESI Inc. (4002 Narita, O-arai, Ibaraki 311-1393, Japan) (Japan)

    2015-12-31

    A numerical simulation system, which consists of a deformation analysis program and three kinds of thermal-hydraulics analysis programs, is being developed in Japan Atomic Energy Agency in order to offer methodologies to clarify thermal-hydraulic phenomena in fuel assemblies of sodium-cooled fast reactors under various operating conditions. This paper gives the outline of the system and its applications to fuel assembly analyses as a validation study.

  18. Development of multi-component diesel surrogate fuel models – Part I: Validation of reduced mechanisms of diesel fuel constituents in 0-D kinetic simulations

    DEFF Research Database (Denmark)

    Poon, Hiew Mun; Pang, Kar Mun; Ng, Hoon Kiat

    2016-01-01

    In the present work, development and validation of reduced chemical kinetic mechanisms for several different hydrocarbons are performed. These hydrocarbons are potential representative for practical diesel fuel constituents. n-Hexadecane (HXN), 2,2,4,4,6,8,8-heptamethylnonane (HMN), cyclohexane...... (CHX) and toluene are selected to represent straight-alkane, branched-alkane, cyclo-alkane and aromatic compounds in the diesel fuel. A five-stage chemical kinetic mechanism reduction scheme formulated in the previous work is applied to develop the reduced HMN and CHX models based on their respective...... developed fuel constituent reduced mechanisms, together with the formerly derived reduced HXN mechanism are comprehensively validated in zero-dimensional chemical kinetic simulations under a wide range of shock tube and jet-stirred reactor (JSR) conditions. Well agreement between the reduced and detailed...

  19. Simulated coal-gas fueled carbonate fuel cell power plant system verification. Final report, September 1990--June 1995

    Energy Technology Data Exchange (ETDEWEB)

    NONE

    1995-03-01

    This report summarizes work performed under U.S. Department of Energy, Morgantown Energy Technology Center (DOE/METC) Contract DE-AC-90MC27168 for September 1990 through March 1995. Energy Research Corporation (ERC), with support from DOE, EPRI, and utilities, has been developing a carbonate fuel cell technology. ERC`s design is a unique direct fuel cell (DFC) which does not need an external fuel reformer. An alliance was formed with a representative group of utilities and, with their input, a commercial entry product was chosen. The first 2 MW demonstration unit was planned and construction begun at Santa Clara, CA. A conceptual design of a 10OMW-Class dual fuel power plant was developed; economics of natural gas versus coal gas use were analyzed. A facility was set up to manufacture 2 MW/yr of carbonate fuel cell stacks. A 100kW-Class subscale power plant was built and several stacks were tested. This power plant has achieved an efficiency of {approximately}50% (LHV) from pipeline natural gas to direct current electricity conversion. Over 6,000 hours of operation including 5,000 cumulative hours of stack operation were demonstrated. One stack was operated on natural gas at 130 kW, which is the highest carbonate fuel cell power produced to date, at 74% fuel utilization, with excellent performance distribution across the stack. In parallel, carbonate fuel cell performance has been improved, component materials have been proven stable with lifetimes projected to 40,000 hours. Matrix strength, electrolyte distribution, and cell decay rate have been improved. Major progress has been achieved in lowering stack cost.

  20. Modelling and Simulation of a Hybrid Solid Oxide Fuel Cell Coupled with a Gas Turbine Power Plant

    Directory of Open Access Journals (Sweden)

    Luca Andreassi

    2009-09-01

    Full Text Available

    The paper presents a simulation of a hybrid solid oxide fuel cell-gas turbine (SOFC-GT power generation system fueled by natural gas. In the system considered, the unreacted fuel from a topping solid oxide fuel cell is burnt in an afterburner to feed a bottoming gas turbine and produce additional power. Combustion gas expands in the gas turbine after having preheated the inlet air and fuel and it is used to generate steam required by the reforming reactions. A novel thermodynamic model has been developed for the fuel cell and implemented into the library of a modular object-oriented Process Simulator, CAMELPro™. The relevant plant performance indicators have been analyzed to evaluate the incremental increase in efficiency brought about by the introduction of the gas turbine and heat regeneration system. Simulations were performed for different values of the main plant parameters.

    • This paper is an updated version of a paper published in the ECOS'08 proceedings. 

  1. High Fidelity, Fuel-Like Thermal Simulators for Non-Nuclear Testing: Analysis and Initial Test Results

    Science.gov (United States)

    Bragg-Sitton, Shannon M.; Dickens, Ricky; Dixon, David; Kapernick, Richard

    2007-01-01

    Non-nuclear testing can be a valuable tool in the development of a space nuclear power system, providing system characterization data and allowing one to work through various fabrication, assembly and integration issues without the cost and time associated with a full ground nuclear test. In a non-nuclear test bed, electric heaters are used to simulate the heat from nuclear fuel. Testing with non-optimized heater elements allows one to assess thermal, heat transfer. and stress related attributes of a given system, but fails to demonstrate the dynamic response that would be present in an integrated, fueled reactor system. High fidelity thermal simulators that match both the static and the dynamic fuel pin performance that would be observed in an operating, fueled nuclear reactor can vastly increase the value of non-nuclear test results. With optimized simulators, the integration of thermal hydraulic hardware tests with simulated neutronic response provides a bridge between electrically heated testing and fueled nuclear testing. By implementing a neutronic response model to simulate the dynamic response that would be expected in a fueled reactor system, one can better understand system integration issues, characterize integrated system response times and response characteristics and assess potential design improvements at relatively small fiscal investment. Initial conceptual thermal simulator designs are determined by simple one-dimensional analysis at a single axial location and at steady state conditions; feasible concepts are then input into a detailed three-dimensional model for comparison to expected fuel pin performance. Static and dynamic fuel pin performance for a proposed reactor design is determined using SINDA/FLUINT thermal analysis software, and comparison is made between the expected nuclear performance and the performance of conceptual thermal simulator designs. Through a series of iterative analyses, a conceptual high fidelity design is developed

  2. 3D thermal modeling of TRISO fuel coupled with neutronic simulation

    Energy Technology Data Exchange (ETDEWEB)

    Hu, Jianwei [Los Alamos National Laboratory; Uddin, Rizwan [UNIV OF ILLINIOS

    2010-01-01

    The Very High Temperature Gas Reactor (VHTR) is widely considered as one of the top candidates identified in the Next Generation Nuclear Power-plant (NGNP) Technology Roadmap under the U.S . Depanment of Energy's Generation IV program. TRlSO particle is a common element among different VHTR designs and its performance is critical to the safety and reliability of the whole reactor. A TRISO particle experiences complex thermo-mechanical changes during reactor operation in high temperature and high burnup conditions. TRISO fuel performance analysis requires evaluation of these changes on micro scale. Since most of these changes are temperature dependent, 3D thermal modeling of TRISO fuel is a crucial step of the whole analysis package. In this paper, a 3D numerical thermal model was developed to calculate temperature distribution inside TRISO and pebble under different scenarios. 3D simulation is required because pebbles or TRISOs are always subjected to asymmetric thermal conditions since they are randomly packed together. The numerical model was developed using finite difference method and it was benchmarked against ID analytical results and also results reported from literature. Monte-Carlo models were set up to calculate radial power density profile. Complex convective boundary condition was applied on the pebble outer surface. Three reactors were simulated using this model to calculate temperature distribution under different power levels. Two asymmetric boundary conditions were applied to the pebble to test the 3D capabilities. A gas bubble was hypothesized inside the TRISO kernel and 3D simulation was also carried out under this scenario. Intuition-coherent results were obtained and reported in this paper.

  3. Detailed dynamic solid oxide fuel cell modeling for electrochemical impedance spectra simulation

    Energy Technology Data Exchange (ETDEWEB)

    Hofmann, Ph. [Laboratory of Steam Boilers and Thermal Plants, School of Mechanical Engineering, Thermal Engineering Section, National Technical University of Athens, Heroon Polytechniou 9, 15780 Athens (Greece); Panopoulos, K.D. [Institute for Solid Fuels Technology and Applications, Centre for Research and Technology Hellas, 4th km. Ptolemais-Mpodosakeio Hospital, Region of Kouri, P.O. Box 95, GR 502, 50200 Ptolemais (Greece)

    2010-08-15

    This paper presents a detailed flexible mathematical model for planar solid oxide fuel cells (SOFCs), which allows the simulation of steady-state performance characteristics, i.e. voltage-current density (V-j) curves, and dynamic operation behavior, with a special capability of simulating electrochemical impedance spectroscopy (EIS). The model is based on physico-chemical governing equations coupled with a detailed multi-component gas diffusion mechanism (Dusty-Gas Model (DGM)) and a multi-step heterogeneous reaction mechanism implicitly accounting for the water-gas-shift (WGS), methane reforming and Boudouard reactions. Spatial discretization can be applied for 1D (button-cell approximation) up to quasi-3D (full size anode supported cell in cross-flow configuration) geometries and is resolved with the finite difference method (FDM). The model is built and implemented on the commercially available modeling and simulations platform gPROMS trademark. Different fuels based on hydrogen, methane and syngas with inert diluents are run. The model is applied to demonstrate a detailed analysis of the SOFC inherent losses and their attribution to the EIS. This is achieved by means of a step-by-step analysis of the involved transient processes such as gas conversion in the main gas chambers/channels, gas diffusion through the porous electrodes together with the heterogeneous reactions on the nickel catalyst, and the double-layer current within the electrochemical reaction zone. The model is an important tool for analyzing SOFC performance fundamentals as well as for design and optimization of materials' and operational parameters. (author)

  4. Biodiesel and Other Renewable Diesel Fuels

    Energy Technology Data Exchange (ETDEWEB)

    2006-11-01

    Present federal tax incentives apply to certain types of biomass-derived diesel fuels, which in energy policy and tax laws are described either as renewable diesel or biodiesel. To understand the distinctions between these diesel types it is necessary to understand the technologies used to produce them and the properties of the resulting products. This fact sheet contains definitions of renewable and biodiesel and discusses the processes used to convert biomass to diesel fuel and the properties of biodiesel and renewable diesel fuels.

  5. CH{sub 4} Production from Biomass-derived Synthesis Gas: Effect of the Feed Composition on the Activity of Ni-Based Catalysts

    Energy Technology Data Exchange (ETDEWEB)

    Raimondi, F.; Seemann, M.; Biollaz, S.; Wambach, J.; Wokaun, A.

    2004-03-01

    The chemical and structural modifications of a commercial Ni/Al{sub 2}O{sub 3}-based catalyst during the production of methane from synthesis gas were investigated by post-reaction X-ray photoelectron spectroscopy (XPS). The effect of the composition of the synthesis gas on the structural properties of the catalyst surface and on its catalytic activity under methanation conditions was studied. The organic compounds present as contaminants in typical biomass-derived synthesis gas were found to promote strongly the reduction of Ni in the catalyst to the metallic state and the formation of elemental carbon on the catalyst surface. (author)

  6. Enhancing the properties of Fischer-Tropsch fuel produced from syngas over Co/SiO2 catalyst: Lubricity and Calorific Value

    Science.gov (United States)

    Doustdar, O.; Wyszynski, M. L.; Mahmoudi, H.; Tsolakis, A.

    2016-09-01

    Bio-fuel produced from renewable sources is considered the most viable alternatives for the replacement of mineral diesel fuel in compression ignition engines. There are several options for biomass derived fuels production involving chemical, biological and thermochemical processes. One of the best options is Fischer Tropsch Synthesis, which has an extensive history of gasoline and diesel production from coal and natural gas. FTS fuel could be one of the best solutions to the fuel emission due to its high quality. FTS experiments were carried out in 16 different operation conditions. Mini structured vertical downdraft fixed bed reactor was used for the FTS. Instead of Biomass gasification, a simulated N2 -rich syngas cylinder of, 33% H2 and 50% N2 was used. FT fuels products were analyzed in GCMS to find the hydrocarbon distributions of FT fuel. Calorific value and lubricity of liquid FT product were measured and compared with commercial diesel fuel. Lubricity has become an important quality, particularly for biodiesel, due to higher pressures in new diesel fuel injection (DFI) technology which demands better lubrication from the fuel and calorific value which is amount of energy released in combustion paly very important role in CI engines. Results show that prepared FT fuel has desirable properties and it complies with standard values. FT samples lubricities as measured by ASTM D6079 standard vary from 286μm (HFRR scar diameter) to 417μm which are less than limit of 520μm. Net Calorific value for FT fuels vary from 9.89 MJ/kg to 43.29 MJ/kg, with six of the samples less than EN 14213 limit of 35MJ/kg. Effect of reaction condition on FT fuel properties was investigated which illustrates that in higher pressure Fischer-Tropsch reaction condition liquid product has better properties.

  7. Severe Accident Scoping Simulations of Accident Tolerant Fuel Concepts for BWRs

    Energy Technology Data Exchange (ETDEWEB)

    Robb, Kevin R. [Oak Ridge National Lab. (ORNL), Oak Ridge, TN (United States)

    2015-08-01

    Accident-tolerant fuels (ATFs) are fuels and/or cladding that, in comparison with the standard uranium dioxide Zircaloy system, can tolerate loss of active cooling in the core for a considerably longer time period while maintaining or improving the fuel performance during normal operations [1]. It is important to note that the currently used uranium dioxide Zircaloy fuel system tolerates design basis accidents (and anticipated operational occurrences and normal operation) as prescribed by the US Nuclear Regulatory Commission. Previously, preliminary simulations of the plant response have been performed under a range of accident scenarios using various ATF cladding concepts and fully ceramic microencapsulated fuel. Design basis loss of coolant accidents (LOCAs) and station blackout (SBO) severe accidents were analyzed at Oak Ridge National Laboratory (ORNL) for boiling water reactors (BWRs) [2]. Researchers have investigated the effects of thermal conductivity on design basis accidents [3], investigated silicon carbide (SiC) cladding [4], as well as the effects of ATF concepts on the late stage accident progression [5]. These preliminary analyses were performed to provide initial insight into the possible improvements that ATF concepts could provide and to identify issues with respect to modeling ATF concepts. More recently, preliminary analyses for a range of ATF concepts have been evaluated internationally for LOCA and severe accident scenarios for the Chinese CPR1000 [6] and the South Korean OPR-1000 [7] pressurized water reactors (PWRs). In addition to these scoping studies, a common methodology and set of performance metrics were developed to compare and support prioritizing ATF concepts [8]. A proposed ATF concept is based on iron-chromium-aluminum alloys (FeCrAl) [9]. With respect to enhancing accident tolerance, FeCrAl alloys have substantially slower oxidation kinetics compared to the zirconium alloys typically employed. During a severe accident, Fe

  8. Review of Biojet Fuel Conversion Technologies

    Energy Technology Data Exchange (ETDEWEB)

    Wang, Wei-Cheng [National Renewable Energy Lab. (NREL), Golden, CO (United States); Tao, Ling [National Renewable Energy Lab. (NREL), Golden, CO (United States); Markham, Jennifer [National Renewable Energy Lab. (NREL), Golden, CO (United States); Zhang, Yanan [National Renewable Energy Lab. (NREL), Golden, CO (United States); Tan, Eric [National Renewable Energy Lab. (NREL), Golden, CO (United States); Batan, Liaw [National Renewable Energy Lab. (NREL), Golden, CO (United States); Warner, Ethan [National Renewable Energy Lab. (NREL), Golden, CO (United States); Biddy, Mary [National Renewable Energy Lab. (NREL), Golden, CO (United States)

    2016-07-01

    Biomass-derived jet (biojet) fuel has become a key element in the aviation industry’s strategy to reduce operating costs and environmental impacts. Researchers from the oil-refining industry, the aviation industry, government, biofuel companies, agricultural organizations, and academia are working toward developing commercially viable and sustainable processes that produce long-lasting renewable jet fuels with low production costs and low greenhouse gas emissions. Additionally, jet fuels must meet ASTM International specifications and potentially be a 100% drop-in replacement for the current petroleum jet fuel. The combustion characteristics and engine tests demonstrate the benefits of running the aviation gas turbine with biojet fuels. In this study, the current technologies for producing renewable jet fuels, categorized by alcohols-to-jet, oil-to-jet, syngas-to-jet, and sugar-to-jet pathways, are reviewed. The main challenges for each technology pathway, including feedstock availability, conceptual process design, process economics, life-cycle assessment of greenhouse gas emissions, and commercial readiness, are discussed. Although the feedstock price and availability and energy intensity of the process are significant barriers, biomass-derived jet fuel has the potential to replace a significant portion of conventional jet fuel required to meet commercial and military demand.

  9. Mathematical modeling and simulation of thermal management in polymer electrolyte membrane fuel cell stacks

    Science.gov (United States)

    Amirfazli, Amir; Asghari, Saeed; Koosha, Morteza

    2014-12-01

    The narrow range of operating temperature and small temperature differences between the stack and the ambient have made the fuel cell thermal management as one of the key factors that influence the performance and durability of polymer electrolyte membrane fuel cell (PEMFC) stacks. In the present study, an analytical model is developed to investigate coolant flow and temperature distributions within a PEMFC stack. The model consists of a coolant flow distribution submodel and a thermal submodel for determination of coolant mass flow distribution between different cooling flow fields of the stack and the temperature distribution within the stack, respectively. The coolant mass flow rate and the temperature distributions in stacks with U and Z configurations are compared with each other using the developed model. The test results of two 65-cells stacks are presented to verify the simulation. The results indicate that the Z configuration results in more uniform temperature distribution than the U configuration in low values of the manifold cross sectional area. However, the Z configuration cannot be applied in the stacks with very small manifold sizes. A parametric analysis is also conducted to assess the effects of some parameters on the temperature distribution in a stack.

  10. Large eddy simulation of fuel injection and mixing process in a diesel engine

    Institute of Scientific and Technical Information of China (English)

    Lei Zhou; Mao-Zhao Xie; Ming Jia; Jun-Rui Shi

    2011-01-01

    The large eddy simulation(LES) approach implemented in the KIVA-3V code and based on one-equation sub-grid turbulent kinetic energy model are employed for numerical computation of diesel sprays in a constant volume vessel and in a Caterpillar 3400 series diesel engine.Computational results are compared with those obtained by an RANS(RNG k-ε) model as well as with experimental data. The sensitivity of the LES results to mesh resolution is also discussed. The results show that LES generally provides flow and spray characteristics in better agreement with experimental data than RANS; and that small-scale random vortical structures of the in-cylinder turbulent spray field can be captured by LES. Furthermore,the penetrations of fuel droplets and vapors calculated by LES are larger than the RANS result,and the sub-grid turbulent kinetic energy and sub-grid turbulent viscosity provided by the LES model are evidently less than those calculated by the RANS model. Finally,it is found that the initial swirl significantly affects the spray penetration and the distribution of fuel vapor within the combustion chamber.

  11. Two-Dimensional Simulation of Mass Transfer in Unitized Regenerative Fuel Cells under Operation Mode Switching

    Directory of Open Access Journals (Sweden)

    Lulu Wang

    2016-01-01

    Full Text Available A two-dimensional, single-phase, isothermal, multicomponent, transient model is built to investigate the transport phenomena in unitized regenerative fuel cells (URFCs under the condition of switching from the fuel cell (FC mode to the water electrolysis (WE mode. The model is coupled with an electrochemical reaction. The proton exchange membrane (PEM is selected as the solid electrolyte of the URFC. The work is motivated by the need to elucidate the complex mass transfer and electrochemical process under operation mode switching in order to improve the performance of PEM URFC. A set of governing equations, including conservation of mass, momentum, species, and charge, are considered. These equations are solved by the finite element method. The simulation results indicate the distributions of hydrogen, oxygen, water mass fraction, and electrolyte potential response to the transient phenomena via saltation under operation mode switching. The hydrogen mass fraction gradients are smaller than the oxygen mass fraction gradients. The average mass fractions of the reactants (oxygen and hydrogen and product (water exhibit evident differences between each layer in the steady state of the FC mode. By contrast, the average mass fractions of the reactant (water and products (oxygen and hydrogen exhibit only slight differences between each layer in the steady state of the WE mode. Under either the FC mode or the WE mode, the duration of the transient state is only approximately 0.2 s.

  12. Simulation of transient heat transfer in MACSTOR/KN-400 module storing irradiated CANDU fuel

    Energy Technology Data Exchange (ETDEWEB)

    Sabourin, G. [Atomic Energy of Canada Limited, Montreal, Quebec (Canada); Lee, K.-H.; Yoon, J.-H.; Choi, B.-I.; Lee, H.-Y.; Song, M.-J. [KHNP, Nuclear Environment Technology Inst., Taejon (Korea, Republic of)

    2004-07-01

    Korea Hydro and Nuclear Power (KHNP), in collaboration with Atomic Energy of Canada Limited (AECL), are developing a new module for the dry storage of spent fuel from the four CANDU 6 nuclear reactors at the Wolsong site in South Korea, the MACSTOR/KN-400. The simulation of transient conditions for AECL's spent fuel dry storage systems, presented in this paper, has not been performed before and is considered a major achievement of the present work. In a fist step, CATHENA was compared to MACSTOR-200 temperature measurements and the accuracy of the results were very good. In a second step, CATHENA was applied to the MACSTOR/KN-400. Four cases were performed for the MACSTOR/KN-400: Off-normal cases in summer and winter and reduced air flow cases in summer and winter. The maximum local concrete temperatures were predicted to be 63{sup o}C for the off-normal case and 65{sup o}C in the reduced air flow case. The maximum temperature gradients in the concrete are predicted to be 28{sup o}C for the off-normal case and 30{sup o}C in the reduced air flow case, incorporating a 3{sup o}C uncertainty. This paper shows that the maximum temperature for the module is expected to meet the temperature limitations of appropriate standards. (author)

  13. Simulating HCCI Blending Octane Number of Primary Reference Fuel with Ethanol

    KAUST Repository

    Singh, Eshan

    2017-03-28

    The blending of ethanol with primary reference fuel (PRF) mixtures comprising n-heptane and iso-octane is known to exhibit a non-linear octane response; however, the underlying chemistry and intermolecular interactions are poorly understood. Well-designed experiments and numerical simulations are required to understand these blending effects and the chemical kinetic phenomenon responsible for them. To this end, HCCI engine experiments were previously performed at four different conditions of intake temperature and engine speed for various PRF/ethanol mixtures. Transfer functions were developed in the HCCI engine to relate PRF mixture composition to autoignition tendency at various compression ratios. The HCCI blending octane number (BON) was determined for mixtures of 2-20 vol % ethanol with PRF70. In the present work, the experimental conditions were considered to perform zero-dimensional HCCI engine simulations with detailed chemical kinetics for ethanol/PRF blends. The simulations used the actual engine geometry and estimated intake valve closure conditions to replicate the experimentally measured start of combustion (SOC) for various PRF mixtures. The simulated HCCI heat release profiles were shown to reproduce the experimentally observed trends, specifically on the effectiveness of ethanol as a low temperature chemistry inhibitor at various concentrations. Detailed analysis of simulated heat release profiles and the evolution of important radical intermediates (e.g., OH and HO) were used to show the effect of ethanol blending on controlling reactivity. A strong coupling between the low temperature oxidation reactions of ethanol and those of n-heptane and iso-octane is shown to be responsible for the observed blending effects of ethanol/PRF mixtures.

  14. Effect of biodiesel addition on microbial community structure in a simulated fuel storage system.

    Science.gov (United States)

    Restrepo-Flórez, Juan-Manuel; Bassi, Amarjeet; Rehmann, Lars; Thompson, Michael R

    2013-11-01

    Understanding changes in microbial structure due to biodiesel storage is important both for protecting integrity of storage systems and fuel quality management. In this work a simulated storage system was used to study the effect of biodiesel (0%, 25%, 50%, 75% and 100%) on a microbial population, which was followed by community level physiological profiling (CLPP), 16s rDNA analysis and plating in selective media. Results proved that structure and functionality were affected by biodiesel. CLPP showed at least three populations: one corresponding to diesel, one to biodiesel and one to blends of diesel and biodiesel. Analysis of 16s rDNA revealed that microbial composition was different for populations growing in diesel and biodiesel. Genera identified are known for degradation of hydrocarbons and emulsifier production. Maximum growth was obtained in biodiesel; however, microbial counts in standard media were lower for this samples. Acidification of culture media was observed at high biodiesel concentration.

  15. Numerical Simulation on Supersonic Flow in High-Velocity Oxy-Fuel Thermal Spray Gun

    Institute of Scientific and Technical Information of China (English)

    Hiroshi KATANODA; Hideki YAMAMOTO; Kazuyasu MATSUO

    2006-01-01

    This paper analyzes the behaviour of coating particles as well as the gas flow both inside and outside of the High-Velocity Oxy-Fuel (HVOF) thermal spray gun by using a quasi-one-dimensional analysis and a numerical simulation. The HVOF gun in the present analysis is an axially symmetric convergent-divergent nozzle with the design Mach number of 2.0. From the present analysis, the distributions of velocity and temperature of the coating particles flying inside and outside of the HVOF gun are predicted. The velocity and temperature of the coating particles at the exit of the gun calculated by the present method agree well with the previous experimental results. Therefore, the present method of calculation is considered to be useful for predicting the HVOF gas and particle flows.

  16. Numerical simulation of direct methanol fuel cells using lattice Boltzmann method

    Energy Technology Data Exchange (ETDEWEB)

    Delavar, Mojtaba Aghajani; Farhadi, Mousa; Sedighi, Kurosh [Faculty of Mechanical Engineering, Babol University of Technology, Babol, P.O. Box 484 (Iran)

    2010-09-15

    In this study Lattice Boltzmann Method (LBM) as an alternative of conventional computational fluid dynamics method is used to simulate Direct Methanol Fuel Cell (DMFC). A two dimensional lattice Boltzmann model with 9 velocities, D2Q9, is used to solve the problem. The computational domain includes all seven parts of DMFC: anode channel, catalyst and diffusion layers, membrane and cathode channel, catalyst and diffusion layers. The model has been used to predict the flow pattern and concentration fields of different species in both clear and porous channels to investigate cell performance. The results have been compared well with results in literature for flow in porous and clear channels and cell polarization curves of the DMFC at different flow speeds and feed methanol concentrations. (author)

  17. Fluid mechanics simulation of fog formation associated with polluted atmosphere produced by energy related fuel combustion

    Science.gov (United States)

    Hung, R. J.; Liaw, G. S.

    1980-01-01

    It is noted that large quantities of atmospheric aerosols with composition SO4(-2), NO3(-1), and NH4(+1) have been detected in highly industrialized areas. Most aerosol products come from energy-related fuel combustion. Fluid mechanics simulation of both microphysical and macrophysical processes is considered in studying the time dependent evolution of the saturation spectra of condensation nuclei associated with polluted and clean atmospheres during the time periods of advection fog formation. The results demonstrate that the condensation nuclei associated with a polluted atmosphere provide more favorable conditions than condensation nuclei associated with a clean atmosphere to produce dense advection fog, and that attaining a certain degree of supersaturation is not necessarily required for the formation of advection fog having condensation nuclei associated with a polluted atmosphere.

  18. Heterobimetallic Zeolite, InV-ZSM-5, Enables Efficient Conversion of Biomass Derived Ethanol to Renewable Hydrocarbons

    Science.gov (United States)

    Narula, Chaitanya K.; Li, Zhenglong; Casbeer, Erik M.; Geiger, Robert A.; Moses-Debusk, Melanie; Keller, Martin; Buchanan, Michelle V.; Davison, Brian H.

    2015-11-01

    Direct catalytic conversion of ethanol to hydrocarbon blend-stock can increase biofuels use in current vehicles beyond the ethanol blend-wall of 10-15%. Literature reports describe quantitative conversion of ethanol over zeolite catalysts but high C2 hydrocarbon formation renders this approach unsuitable for commercialization. Furthermore, the prior mechanistic studies suggested that ethanol conversion involves endothermic dehydration step. Here, we report the complete conversion of ethanol to hydrocarbons over InV-ZSM-5 without added hydrogen and which produces lower C2 (products come from the hydrocarbon pool type mechanism and dehydration step is not necessary. Thus, our method of direct conversion of ethanol offers a pathway to produce suitable hydrocarbon blend-stock that may be blended at a refinery to produce fuels such as gasoline, diesel, JP-8, and jet fuel, or produce commodity chemicals such as BTX.

  19. Combined Sustainability Assessment and Techno-Economic Analysis for the Production of Biomass-Derived High-Octane Gasoline Blendstock

    Energy Technology Data Exchange (ETDEWEB)

    Tan, Eric C. D.; Talmadge, Michael; Dutta, Abhijit

    2015-11-13

    Conversion technologies for biomass to liquid hydrocarbon fuels are being actively developed. Converting biomass into advanced hydrocarbon fuels requires detailed assessments to help prioritize research; techno-economic analysis (TEA) is a long established tool used to assess feasibility and progress. TEA provides information needed to make informed judgments about the viability of any given conceptual conversion process; it is particularly useful to identify technical barriers and measure progress toward overcoming those barriers. Expansion of the cellulosic biofuels industry at the scale needed to meet the Renewable Fuel Standard goals is also expected to have environmental impacts. Hence, the success of the biofuels industry depends not only on economic viability, but also on environmental sustainability. A biorefinery process that is economically feasible but suffers from key sustainability drawbacks is not likely to represent a long-term solution to replace fossil-derived fuels. Overarching concerns like environmental sustainability need to be addressed for biofuels production. Combined TEA and environmental sustainability assessment of emerging pathways helps facilitate biorefinery designs that are both economically feasible and minimally impactful to the environment. This study focuses on environmental sustainability assessment and techno-economic analysis for the production of high-octane gasoline blendstock via gasification and methanol/dimethyl ether intermediates. Results from the conceptual process design with economic analysis, along with the quantification and assessment of the environmental sustainability, are presented and discussed. Sustainability metrics associated with the production of high-octane gasoline include carbon conversion efficiency, consumptive water use, life-cycle greenhouse gas emissions, fossil energy consumption, energy return on investment and net energy value.

  20. Sensitivity of simulated CO2 concentration to sub-annual variations in fossil fuel CO2 emissions

    Science.gov (United States)

    Zhang, X.; Gurney, K. R.; Rayner, P. J.; Baker, D. F.; Liu, Y.; Asefi-Najafabady, S.

    2014-12-01

    This study presents a sensitivity analysis of the impact of sub-annual fossil fuel CO2 emissions on simulated CO2 concentration using a global tracer transport model. Four sensitivity experiments were conducted to investigate the impact of three cyclic components (diurnal, weekly and monthly) and a complete cyclic component (the combination of the three) by comparing with a temporally "flat" fossil fuel CO2 emissions inventory. A complete exploration of these impacts is quantified at annual, seasonal, weekly and diurnal time scales of the CO2concentration for the surface, vertical profile and column-integral structure. Result shows an annual mean surface concentration difference varying from -1.35 ppm to 0.13 ppm at grid scale for the complete cyclic fossil fuel emissions, which is mainly driven by a large negative diurnal rectification and less positive seasonal rectification. The negative diurnal rectification is up to 1.45 ppm at grid scale and primarily due to the covariation of diurnal fossil fuel CO2 emissions and diurnal variations of vertical mixing. The positive seasonal rectification is up to 0.23 ppm at grid scale which is mainly driven by the monthly fossil fuel CO2emissions coupling with atmospheric transport. Both the diurnal and seasonal rectifier effects are indicated at local-to-regional scales with center at large source regions and extend to neighboring regions in mainly Northern Hemisphere. The diurnal fossil fuel CO2 emissions is found to significantly affect the simulated diurnal CO2 amplitude (up to 9.12 ppm at grid scale), which is primarily contributed by the minima concentration differences around local sunset time. Similarly, large impact on the seasonal CO2 amplitude (up to 6.11 ppm) is found at regional scale for the monthly fossil fuel emissions. An impact of diurnal fossil fuel CO2 emissions on simulated afternoon CO2 concentration is also identified by up to 1.13 ppm at local scales. The study demonstrates a large cyclic fossil fuel

  1. PEM Fuel Cells with Bio-Ethanol Processor Systems A Multidisciplinary Study of Modelling, Simulation, Fault Diagnosis and Advanced Control

    CERN Document Server

    Feroldi, Diego; Outbib, Rachid

    2012-01-01

    An apparently appropriate control scheme for PEM fuel cells may actually lead to an inoperable plant when it is connected to other unit operations in a process with recycle streams and energy integration. PEM Fuel Cells with Bio-Ethanol Processor Systems presents a control system design that provides basic regulation of the hydrogen production process with PEM fuel cells. It then goes on to construct a fault diagnosis system to improve plant safety above this control structure. PEM Fuel Cells with Bio-Ethanol Processor Systems is divided into two parts: the first covers fuel cells and the second discusses plants for hydrogen production from bio-ethanol to feed PEM fuel cells. Both parts give detailed analyses of modeling, simulation, advanced control, and fault diagnosis. They give an extensive, in-depth discussion of the problems that can occur in fuel cell systems and propose a way to control these systems through advanced control algorithms. A significant part of the book is also given over to computer-aid...

  2. V.S.O.P.(97) computer code system for reactor physics and fuel cycle simulation. Input manual and comments

    Energy Technology Data Exchange (ETDEWEB)

    Ruetten, H.J.; Haas, K.A.; Brockmann, H.; Ohlig, U.; Scherer, W.

    1998-04-01

    V.S.O.P. (97) is a computer code system for the comprehensive numerical simulation of the physics of thermal reactors. It implies processing of cross sections, the setup of the reactor and of the fuel element, repeated neutron spectrum evaluation, neutron diffusion calculation in two or three dimensions, fuel burnup, fuel shuffling, reactor control, thermal hydraulics and fuel cycle costs. The thermal hydraulics part (steady state and time-dependent) is restricted to HTRs and to two spatial dimensions. V.S.O.P. (97) can simulate the reactor operation from the initial core towards the equilibrium core. V.S.O.P. (97) - on the basis of V.S.O.P. (94) - has been improved with regard to a more detailed treatment of the build-up and the depletion of the heavy metal isotopes. Their chains now include the minor actinides. Resonance cross sections of the lumped resonance absorbers are evaluated burnup-dependent. Beyond this, the code has been reviewed in many details, aiming at an improved precision in the computer simulation of the features of the reactors and of their fuel cycle. The code consists of about 65000 FORTRAN statements. A memory of 32 MB should be available for its use. (orig.)

  3. Simulation studies of the membrane exchange assembly of an all-liquid, proton exchange membrane fuel cell

    Energy Technology Data Exchange (ETDEWEB)

    Byrd, Ethan D. [Department of Electrical and Computer Engineering, University of Illinois at Urbana-Champaign, Everitt Laboratory, MC-702, 1406 W. Green St., Urbana, IL 61801-2918 (United States); Miley, George H. [Department of Nuclear, Plasma, and Radiological Engineering, University of Illinois at Urbana-Champaign, 100C NEL, 103 S. Goodwin Ave., Urbana, IL 61801 (United States)

    2008-01-21

    A model has been designed and constructed for the all-liquid, sodium borohydride/hydrogen peroxide fuel cell under development at the University of Illinois at Urbana-Champaign. The electrochemical behavior, momentum balance, and mass balance effects within the fuel cell are modeled using the Butler-Volmer equations, Darcy's law, and Fick's law, respectively, within a finite element modeling platform. The simulations performed with the model indicate that an optimal physical design of the fuel cell's flow channel land area or current collector exists when considering the pressure differential between channels, and the diffusion layer permeability and conductivity. If properties of the diffusion layer are known, the model is an effective method of improving the fuel cell design in order to achieve higher power density. (author)

  4. Mathematical Simulation of Heat Transfer in Heterogenous Forest Fuel Layer Influenced by Heated Up to High Temperatures Steel Particle

    Directory of Open Access Journals (Sweden)

    Baranovskiy Nikolay V.

    2014-01-01

    Full Text Available Heterogeneity of forest fuel layer renders the important influence on forest fire occurrence processes. One of sources of the raised temperature on forested territories is metal particles heated up to high temperatures. Such particles can be formed as a result of welding of metals on forested territories. The present paper represents the heat transfer research in forest fuel at the influence of metal particle heated up to high temperatures. The heterogonous forest fuel layer with inclusions of small wooden branches and chips is considered. Such object research is urgent especially at fire forecasting on forest cutting. The technology of mathematical simulation is used. The two-dimensional problem of heat transfer in forest fuel layer structure with wood inclusions is solved.

  5. V.S.O.P. (99/05) Computer Code System : computer code system for reactor physics and fuel cycle simulation

    OpenAIRE

    Scherer, W.; Brockmann, H.; Haas, K. A.; Rütten, H. J.

    2005-01-01

    V.S.O.P. is a computer code system for the comprehensive numerical simulation of the physics of thermal reactors. It implies the setup of the reactor and of the fuel element, processing of cross sections, neutron spectrum evaluation, neutron diffusion calculation in two or three dimensions, fuel burnup, fuel shuffling, reactor control, thermal hydraulics and fuel cycle costs. The thermal hydraulics part (steady state and time-dependent) is restricted to HTRs and to two spatial dimensions. The...

  6. Styrene production from a biomass-derived carbon source using a coculture system of phenylalanine ammonia lyase and phenylacrylic acid decarboxylase-expressing Streptomyces lividans transformants.

    Science.gov (United States)

    Fujiwara, Ryosuke; Noda, Shuhei; Tanaka, Tsutomu; Kondo, Akihiko

    2016-12-01

    To produce styrene from a biomass-derived carbon source, Streptomyces lividans was adopted as a host strain. The gene encoding ferulic acid decarboxylase from Saccharomyces cerevisiae (FDC1) was introduced into S. lividans, and the resulting S. lividans transformant successfully expressed FDC1 and converted trans-cinnamic acid (CA) to styrene. A key factor in styrene production using microbes is the recovery of volatile styrene. In the present study, we selected polystyrene resin beads XRD-4 as the absorbent agent to recover styrene produced using S. lividans transformants, which enabled recovery of styrene from the culture broth. For styrene production from biomass-derived carbon sources, S. lividans/FDC1 was cultured together with S. lividans/p-encP, which we previously reported as a CA-producing S. lividans strain. This coculture system combined with the recovery of styrene using XAD-4 allowed the production of styrene from glucose, cellobiose, or xylo-oligosaccharide, respectively.

  7. The effect of C-OH functionality on the surface chemistry of biomass-derived molecules: ethanol chemistry on Rh(100).

    Science.gov (United States)

    Caglar, B; Olus Ozbek, M; Niemantsverdriet, J W Hans; Weststrate, C J Kees-Jan

    2016-11-21

    The adsorption and decomposition of ethanol on Rh(100) was studied as a model reaction to understand the role of C-OH functionalities in the surface chemistry of biomass-derived molecules. A combination of experimental surface science and computational techniques was used: (i) temperature programmed reaction spectroscopy (TPRS), reflection absorption infrared spectroscopy (RAIRS), work function measurements (Kelvin Probe - KP), and density functional theory (DFT). Ethanol produces ethoxy (CH3CH2O) species via O-H bond breaking upon adsorption at 100 K. Ethoxy decomposition proceeds differently depending on the surface coverage. At low coverage, the decomposition of ethoxy species occurs viaβ-C-H cleavage, which leads to an oxometallacycle (OMC) intermediate. Decomposition of the OMC scissions (at 180-320 K) ultimately produces CO, H2 and surface carbon. At high coverage, along with the pathway observed in the low coverage case, a second pathway occurs around 140-200 K, which produces an acetaldehyde intermediate viaα-C-H cleavage. Further decomposition of acetaldehyde produces CH4, CO, H2 and surface carbon. However, even at high coverage this is a minor pathway, and methane selectivity is 10% at saturation coverage. The results suggests that biomass-derived oxygenates, which contain an alkyl group, react on the Rh(100) surface to produce synthesis gas (CO and H2), surface carbon and small hydrocarbons due to the high dehydrogenation and C-C bond scission activity of Rh(100).

  8. A high performance lithium ion capacitor achieved by the integration of a Sn-C anode and a biomass-derived microporous activated carbon cathode

    Science.gov (United States)

    Sun, Fei; Gao, Jihui; Zhu, Yuwen; Pi, Xinxin; Wang, Lijie; Liu, Xin; Qin, Yukun

    2017-02-01

    Hybridizing battery and capacitor materials to construct lithium ion capacitors (LICs) has been regarded as a promising avenue to bridge the gap between high-energy lithium ion batteries and high-power supercapacitors. One of the key difficulties in developing advanced LICs is the imbalance in the power capability and charge storage capacity between anode and cathode. Herein, we design a new LIC system by integrating a rationally designed Sn-C anode with a biomass-derived activated carbon cathode. The Sn-C nanocomposite obtained by a facile confined growth strategy possesses multiple structural merits including well-confined Sn nanoparticles, homogeneous distribution and interconnected carbon framework with ultra-high N doping level, synergically enabling the fabricated anode with high Li storage capacity and excellent rate capability. A new type of biomass-derived activated carbon featuring both high surface area and high carbon purity is also prepared to achieve high capacity for cathode. The assembled LIC (Sn-C//PAC) device delivers high energy densities of 195.7 Wh kg‑1 and 84.6 Wh kg‑1 at power densities of 731.25 W kg‑1 and 24375 W kg‑1, respectively. This work offers a new strategy for designing high-performance hybrid system by tailoring the nanostructures of Li insertion anode and ion adsorption cathode.

  9. Biomass-derived functional porous carbons as novel electrode material for the practical detection of biomolecules in human serum and snail hemolymph.

    Science.gov (United States)

    Veeramani, Vediyappan; Madhu, Rajesh; Chen, Shen-Ming; Lou, Bih-Show; Palanisamy, Jayabal; Vasantha, Vairathevar Sivasamy

    2015-05-22

    The biomass-derived activated carbons (ACs) have been prepared with high surface areas up to 793 m(2) g(-1) is by ZnCl2 activation at three different temperatures, viz. AC700, AC800, and AC900. The AC samples were characterized by a variety of analytical and spectroscopy techniques. The as-synthesized ACs were adopted for the simultaneous electrochemical detection of ascorbic acid (AA), dopamine (DA), and uric acid (UA). For comparison, reduced graphene oxide (RGO) was employed for the proposed sensor. The high surface area, modulated pore size and the presence of oxygen surface functional groups like heteroatoms (83.427% C, 1.085% N, 0.383% S, and 0.861% H) in the biomass-derived AC is found to be responsible for the excellent catalytic activities of biomolecules. Fascinatingly, the facile sensor further used to detect biomolecules levels in the snail hemolymph and human blood serum. Notably, the obtained analytical parameters for the biomolecules detection over the AC modified GCE, outperforming several carbon-based modified electrodes in literatures.

  10. Biomass-derived functional porous carbons as novel electrode material for the practical detection of biomolecules in human serum and snail hemolymph

    Science.gov (United States)

    Veeramani, Vediyappan; Madhu, Rajesh; Chen, Shen-Ming; Lou, Bih-Show; Palanisamy, Jayabal; Vasantha, Vairathevar Sivasamy

    2015-01-01

    The biomass-derived activated carbons (ACs) have been prepared with high surface areas up to 793 m2 g−1 is by ZnCl2 activation at three different temperatures, viz. AC700, AC800, and AC900. The AC samples were characterized by a variety of analytical and spectroscopy techniques. The as-synthesized ACs were adopted for the simultaneous electrochemical detection of ascorbic acid (AA), dopamine (DA), and uric acid (UA). For comparison, reduced graphene oxide (RGO) was employed for the proposed sensor. The high surface area, modulated pore size and the presence of oxygen surface functional groups like heteroatoms (83.427% C, 1.085% N, 0.383% S, and 0.861% H) in the biomass-derived AC is found to be responsible for the excellent catalytic activities of biomolecules. Fascinatingly, the facile sensor further used to detect biomolecules levels in the snail hemolymph and human blood serum. Notably, the obtained analytical parameters for the biomolecules detection over the AC modified GCE, outperforming several carbon-based modified electrodes in literatures. PMID:25998156

  11. A high performance lithium ion capacitor achieved by the integration of a Sn-C anode and a biomass-derived microporous activated carbon cathode

    Science.gov (United States)

    Sun, Fei; Gao, Jihui; Zhu, Yuwen; Pi, Xinxin; Wang, Lijie; Liu, Xin; Qin, Yukun

    2017-01-01

    Hybridizing battery and capacitor materials to construct lithium ion capacitors (LICs) has been regarded as a promising avenue to bridge the gap between high-energy lithium ion batteries and high-power supercapacitors. One of the key difficulties in developing advanced LICs is the imbalance in the power capability and charge storage capacity between anode and cathode. Herein, we design a new LIC system by integrating a rationally designed Sn-C anode with a biomass-derived activated carbon cathode. The Sn-C nanocomposite obtained by a facile confined growth strategy possesses multiple structural merits including well-confined Sn nanoparticles, homogeneous distribution and interconnected carbon framework with ultra-high N doping level, synergically enabling the fabricated anode with high Li storage capacity and excellent rate capability. A new type of biomass-derived activated carbon featuring both high surface area and high carbon purity is also prepared to achieve high capacity for cathode. The assembled LIC (Sn-C//PAC) device delivers high energy densities of 195.7 Wh kg−1 and 84.6 Wh kg−1 at power densities of 731.25 W kg−1 and 24375 W kg−1, respectively. This work offers a new strategy for designing high-performance hybrid system by tailoring the nanostructures of Li insertion anode and ion adsorption cathode. PMID:28155853

  12. Understanding the role of low reactivity fuel stratification in a dual fuel RCCI engine – A simulation study

    NARCIS (Netherlands)

    Mikulski, M.; Bekdemir, C.

    2017-01-01

    Natural gas - diesel, Reactivity Controlled Compression Ignition (RCCI) is currently one of the most promising combustion strategies for the next generation heavy-duty engines. A major issue to be addressed for this dual fuel concept to become practically applicable is its low combustion efficiency

  13. APPLICATION OF CIRCUIT SIMULATION IN HARDWARE DESIGN FOR ELECTRONIC CONTROL HIGH PRESSURE COMMON-RAIL FUEL SYSTEM OF DIESEL ENGINE

    Institute of Scientific and Technical Information of China (English)

    Tan Wenchun; Yu Shitao; Yang Lin; Zhuo Bin

    2005-01-01

    By means of circuit simulation, hardware of electronic control unit (ECU) of high pressure common-rail electronic control fuel system for diesel engine is designed. According to the system requirements for hardware of ECU, signal-processing circuit of variable reluctance (VR) sensor, filter circuit for input signal, high voltage power circuit and driver and protection circuit of solenoid are simulated as emphases. Difficulties of wide scope of VR sensor output signal, efficiency of high voltage power and reliable and swift driver of solenoid are solved. The results of simulation show that the hardware meets the requirement of the fuel system. At the same time, circuit simulation can greatly increase quality of the design, alleviate design labor and shorten design time.

  14. Simulated Performance of the Integrated PNAR and SINRD Detector Designed for Spent Fuel Measurements at the Fugen Reactor in Japan

    Energy Technology Data Exchange (ETDEWEB)

    Lafleur, Adrienne M. [Los Alamos National Laboratory; Ulrich, Timothy J. II [Los Alamos National Laboratory; Menlove, Howard O. [Los Alamos National Laboratory; Swinhoe, Martyn T. [Los Alamos National Laboratory; Tobin, Stephen J. [Los Alamos National Laboratory; Seya, Michio [Japan Atomic Energy Agency; Bolind, Alan M. [Japan Atomic Energy Agency

    2012-07-13

    Objective is to investigate the use of Passive Neutron Albedo Reactivity (PNAR) and Self-Interrogation Neutron Resonance Densitometry (SINRD) to quantify fissile content in FUGEN spent fuel assemblies (FAs). Methodology used is: (1) Detector was designed using fission chambers (FCs); (2) Optimized design via MCNPX simulations; and (3) Plan to build and field test instrument in FY13. Significance was to improve safeguards verification of spent fuel assemblies in water and increase sensitivity to partial defects. MCNPX simulations were performed to optimize the design of the SINRD+PNAR detector. PNAR ratio was less sensitive to FA positioning than SINRD and SINRD ratio was more sensitive to Pu fissile mass than PNAR. Significance was that the integration of these techniques can be used to improve verification of spent fuel assemblies in water.

  15. Simulation of a combined space and water heating system firing pellet fuel for commercial/residential application

    Energy Technology Data Exchange (ETDEWEB)

    Clements, B.R.; Pearson, B.; Hayden, A.C.S. [Natural Resources Canada, Ottawa, ON (Canada). CANMET Energy Technology Centre

    2001-06-01

    Gensym Corporation has developed a real-time dynamic simulator which can test different physical configurations of a variety of commercial or residential combined space heating and domestic hot water systems. This simulator was originally designed to test biomass pellet-fueled stoves, but it can also be applied to more conventional gas and oil fired systems. Each physical configuration can be tested under different operating conditions to determine optimal system design for each unique situation. CANMET Energy Technology Centre is focused on developing advanced residential integrated systems using biomass pellets as a fuel to take advantage of their energy efficiency and the environmental benefits that they offer. High efficiency pellet-fired integrated home energy systems consist of components that can be configured in several ways to suit specific installation needs. The major components of the system are the fuel storage and supply system, the pellet burner, the fuel and ash removal system, the furnace air supply, the exhaust module, boiler, hot water storage tank, forced air fan coil unit and the plate to plate domestic hot water heat exchanger. Many different design and control scenarios were tested using the real-time simulator before developing an optimal arrangement for a specific set of constraints. The simulator proved to be an extremely valuable tool in developing and testing control strategies. 4 refs., 3 figs.

  16. Simulation methods of rocket fuel refrigerating with liquid nitrogen and intermediate heat carrier

    Directory of Open Access Journals (Sweden)

    O. E. Denisov

    2014-01-01

    Full Text Available Temperature preparation of liquid propellant components (LPC before fueling the tanks of rocket and space technology is the one of the operations performed by ground technological complexes on cosmodromes. Refrigeration of high-boiling LPC is needed to increase its density and to create cold reserve for compensation of heat flows existing during fueling and prelaunch operations of space rockets.The method and results of simulation of LPC refrigeration in the recuperative heat exchangers with heat carrier which is refrigerated by-turn with liquid nitrogen sparging. The refrigerating system consists of two tanks (for the chilled coolant and LPC, LPC and heat carrier circulation loops with heat exchanger and system of heat carrier refrigeration in its tank with bubbler. Application of intermediate heat carrier between LPC and liquid nitrogen allows to avoid LPC crystallization on cold surfaces of the heat exchanger.Simulation of such systems performance is necessary to determine its basic design and functional parameters ensuring effective refrigerating of liquid propellant components, time and the amount of liquid nitrogen spent on refrigeration operation. Creating a simulator is quite complicated because of the need to take into consideration many different heat exchange processes occurring in the system. Also, to determine the influence of various parameters on occurring processes it is necessary to take into consideration the dependence of all heat exchange parameters on each other: heat emission coefficients, heat transfer coefficients, heat flow amounts, etc.The paper offers an overview of 10 references to foreign and Russian publications on separate issues and processes occurring in liquids refrigerating, including LPC refrigeration with liquid nitrogen. Concluded the need to define the LPC refrigerating conditions to minimize cost of liquid nitrogen. The experimental data presented in these publications is conformed with the application of

  17. Numerical Simulation of Water Flow through the Bottom End Piece of a Nuclear Fuel Assembly

    Science.gov (United States)

    Navarro, Moysés A.; Santos, André A. C. Dos

    An experimental and numerical study was conducted on the pressure loss of flows through the bottom end piece of a nuclear fuel assembly. To determine an optimized numerical methodology using the commercial CFD code, CFX 10.0, a series of preliminary simulations of water flows through perforated plates in a square ducts were performed. A perforated plate is a predominant geometry of the bottom end piece, responsible for the majority of the flow's pressure drop. The numerical pressure loss applying an optimized mesh and the k-ɛ turbulence model showed good agreement when compared with a conventional methodology (Idelchik). Numerical results for the standard bottom end piece were obtained applying the previously determined mesh criteria and the k-ɛ turbulence model with some geometric simplifications. The agreement between the numerical simulations and experimental results can be considered satisfactory but suggests further numerical investigations with the bottom piece under real conditions of the experiment, without the geometric simplifications and with a gap between the piece and the wall of the flow channel. Additionally, other turbulence models should be appraised for this complex geometry.

  18. Accelerating the Design of Solar Thermal Fuel Materials through High Throughput Simulations

    Energy Technology Data Exchange (ETDEWEB)

    Liu, Y; Grossman, JC

    2014-12-01

    Solar thermal fuels (STF) store the energy of sunlight, which can then be released later in the form of heat, offering an emission-free and renewable solution for both solar energy conversion and storage. However, this approach is currently limited by the lack of low-cost materials with high energy density and high stability. In this Letter, we present an ab initio high-throughput computational approach to accelerate the design process and allow for searches over a broad class of materials. The high-throughput screening platform we have developed can run through large numbers of molecules composed of earth-abundant elements and identifies possible metastable structures of a given material. Corresponding isomerization enthalpies associated with the metastable structures are then computed. Using this high-throughput simulation approach, we have discovered molecular structures with high isomerization enthalpies that have the potential to be new candidates for high-energy density STF. We have also discovered physical principles to guide further STF materials design through structural analysis. More broadly, our results illustrate the potential of using high-throughput ab initio simulations to design materials that undergo targeted structural transitions.

  19. Evaluating the Impact of Road Grade on Simulated Commercial Vehicle Fuel Economy Using Real-World Drive Cycles

    Energy Technology Data Exchange (ETDEWEB)

    Lopp, Sean; Wood, Eric; Duran, Adam

    2015-10-13

    Commercial vehicle fuel economy is known to vary significantly with both positive and negative road grade. Medium- and heavy-duty vehicles operating at highway speeds require incrementally larger amounts of energy to pull heavy payloads up inclines as road grade increases. Non-hybrid vehicles are then unable to recapture energy on descent and lose energy through friction braking. While the on-road effects of road grade are well understood, the majority of standard commercial vehicle drive cycles feature no climb or descent requirements. Additionally, existing literature offers a limited number of sources that attempt to estimate the on-road energy implications of road grade in the medium- and heavy-duty space. This study uses real-world commercial vehicle drive cycles from the National Renewable Energy Laboratory's Fleet DNA database to simulate the effects of road grade on fuel economy across a range of vocations, operating conditions, and locations. Drive-cycles are matched with vocation-specific vehicle models and simulated with and without grade. Fuel use due to grade is presented, and variation in fuel consumption due to drive cycle and vehicle characteristics is explored through graphical and statistical comparison. The results of this study suggest that road grade accounts for 1%-9% of fuel use in commercial vehicles on average and up to 40% on select routes.

  20. Measurements of turbulent pressures of flow in a water-conveying pipe containing a simulation fuel bundle

    Energy Technology Data Exchange (ETDEWEB)

    Abbasian, F.; Cao, J.; Yu, S.D. [Ryerson Univ., Dept. of Mechanical and Industrial Engineering, Toronto, Ontario (Canada)

    2008-07-01

    A test apparatus was set up to investigate the turbulent flows and flow induced vibrations in a fluid-conveying pipe containing a CANDU 43-element simulation fuel bundle. The fuel bundle is immersed in test pipe of 4-inch in diameter. A centrifugal pump circulates fresh water with a maximum velocity of 9 m/s at full pump power. The pressure fluctuation near the inner surface of the flow channel was measured at various locations using a pressure transducer and a data acquisition system. It was found that the turbulence away from the test section containing the simulation fuel bundle is largely caused by the pipe flow of high Reynolds number; the turbulence near and inside the bundle structures is the result of pipe flow and fluid-solid interactions. The measurements of pressures near the fuel bundle structure showed that the power spectral density (PSD) of pressure fluctuation has a frequency range of 1-300 Hz, and a normalized maximum pressure range of 0.04 to 0.05 times dynamic pressure. The effects of bundle angular alignments and subchannels on the pressure spectra, Strouhal number range, and streamwise pressure drop are also investigated in this paper. Results presented in this paper are useful in validating the computational models for flow-induced fluid forces that cause the fuel bundle structure to rock and fret. (author)

  1. Starting Point, Keys and Milestones of a Computer Code for the Simulation of the Behaviour of a Nuclear Fuel Rod

    Directory of Open Access Journals (Sweden)

    Armando C. Marino

    2011-01-01

    Full Text Available The BaCo code (“Barra Combustible” was developed at the Atomic Energy National Commission of Argentina (CNEA for the simulation of nuclear fuel rod behaviour under irradiation conditions. We present in this paper a brief description of the code and the strategy used for the development, improvement, enhancement, and validation of a BaCo during the last 30 years. “Extreme case analysis”, parametric (or sensitivity, probabilistic (or statistic analysis plus the analysis of the fuel performance (full core analysis are the tools developed in the structure of BaCo in order to improve the understanding of the burnup extension in the Atucha I NPP, and the design of advanced fuel elements as CARA and CAREM. The 3D additional tools of BaCo can enhance the understanding of the fuel rod behaviour, the fuel design, and the safety margins. The modular structure of the BaCo code and its detailed coupling of thermo-mechanical and irradiation-induced phenomena make it a powerful tool for the prediction of the influence of material properties on the fuel rod performance and integrity.

  2. The prestige oil spill. I. Biodegradation of a heavy fuel oil under simulated conditions.

    Science.gov (United States)

    Díez, Sergi; Sabatté, Jordi; Viñas, Marc; Bayona, Josep M; Solanas, Anna M; Albaigés, Joan

    2005-09-01

    In vitro biodegradation of the Prestige heavy fuel oil has been carried out using two microbial consortia obtained by enrichment in different substrates to simulate its environmental fate and potential utility for bioremediation. Different conditions, such as incubation time (i.e., 20 or 40 d), oil weathering, and addition of an oleophilic fertilizer (S200), were evaluated. Weathering slowed down the degradation of the fuel oil, probably because of the loss of lower and more labile components, but the addition of S200 enhanced significantly the extension of the biodegradation. n-Alkanes, alkylcyclohexanes, alkylbenzenes, and the two- to three-ring polycyclic aromatic hydrocarbons (PAHs) were degraded in 20 or 40 d of incubation of the original oil, whereas the biodegradation efficiency decreased for higher PAHs and with the increase of alkylation. Molecular markers were degraded according to the following sequence: Acyclic isoprenoids > diasteranes > C27-steranes > betabeta-steranes > homohopanes > monoaromatic steranes > triaromatic steranes. Isomeric selectivity was observed within the C1- and C2-phenanthrenes, dibenzothiophenes, pyrenes, and chrysenes, providing source and weathering indices for the characterization of the heavy oil spill. Acyclic isoprenoids, C27-steranes, C1- and C2-naphthalenes, phenanthrenes, and dibenzothiophenes were degraded completely when S200 was used. The ratios of the C2- and C3-alkyl homologues of fluoranthene/pyrene and chrysene/benzo[a]anthracene are proposed as source ratios in moderately degraded oils. The 4-methylpyrene and 3-methylchrysene were refractory enough to serve as conserved internal markers in assessing the degradation of the aromatic fraction in a manner similar to that of hopane, as used for the aliphatic fraction.

  3. Impact of Flight Enthalpy, Fuel Simulant, and Chemical Reactions on the Mixing Characteristics of Several Injectors at Hypervelocity Flow Conditions

    Science.gov (United States)

    Drozda, Tomasz G.; Baurle, Robert A.; Drummond, J. Philip

    2016-01-01

    The high total temperatures or total enthalpies required to duplicate the high-speed flight conditions in ground experiments often place stringent requirements on the material selection and cooling needs for the test articles and intrusive flow diagnostic equipment. Furthermore, for internal flows, these conditions often complicate the use of nonintrusive diagnostics that need optical access to the test section and interior portions of the flowpath. Because of the technical challenges and increased costs associated with experimentation at high values of total enthalpy, an attempt is often made to reduce it. This is the case for the Enhanced Injection and Mixing Project (EIMP) currently underway in the Arc-Heated Scramjet Test Facility at the NASA Langley Research Center. The EIMP aims to investigate supersonic combustion ramjet (scramjet) fuel injection and mixing physics, improve the understanding of underlying physical processes, and develop enhancement strategies and functional relationships between mixing performance and losses relevant to flight Mach numbers greater than 8. The experiments will consider a "direct-connect" approach and utilize a Mach 6 nozzle to simulate the combustor entrance flow of a scramjet engine. However, while the value of the Mach number is matched to that expected at the combustor entrance in flight, the maximum value of the total enthalpy for these experiments is limited by the thermal-structural limits of the uncooled experimental hardware. Furthermore, the fuel simulant is helium, not hydrogen. The use of "cold" flows and non-reacting mixtures of fuel simulants for mixing experiments is not new and has been extensively utilized as a screening technique for scramjet fuel injectors. In this study, Reynolds-averaged simulations are utilized (RAS) to systematically verify the implicit assumptions used by the EIMP. This is accomplished by first performing RAS of mixing for two injector configurations at planned nominal experimental

  4. Low NOx emissions from fuel-bound nitrogen in gas turbine combustors

    NARCIS (Netherlands)

    Adouane, B.

    2006-01-01

    Biomass-derived LCV (Low Calorific Value) gas represents one of the best alternatives for fossil fuels. It is very attractive, because it is CO2 neutral as biomass consumes an amount of CO2 when growing and releases almost the same amount when combusted. However, the raw gasifier producer gas

  5. Low NOx emissions from fuel-bound nitrogen in gas turbine combustors

    NARCIS (Netherlands)

    Adouane, B.

    2006-01-01

    Biomass-derived LCV (Low Calorific Value) gas represents one of the best alternatives for fossil fuels. It is very attractive, because it is CO2 neutral as biomass consumes an amount of CO2 when growing and releases almost the same amount when combusted. However, the raw gasifier producer gas contai

  6. Laminar simulation of intersubchannel mixing in a triangular nuclear fuel bundle geometry

    Energy Technology Data Exchange (ETDEWEB)

    Zaretsky, A.; Lightstone, M.F., E-mail: lightsm@mcmaster.ca; Tullis, S.

    2015-12-15

    Highlights: • Quasi-periodic flow was observed through rod-to-wall gaps. • Triangular subchannel flows were fundamentally irregular. • Cross-gap flow was influenced both by local and adjacent cross-gap intensity. • Phase-linking between gaps induced cross-plane peripheral circulation through rod–wall gaps. • Cross-gap flow structure was dependent on subchannel geometry. - Abstract: Predicting temperature distributions in fuel rod bundles is an important component of nuclear reactor safety analysis. Intersubchannel mixing acts to homogenize coolant temperatures thus reducing the likelihood of localized regions of high fuel temperature. Previous research has shown that intersubchannel mixing in nuclear fuel rod bundles is enhanced by a large-scale quasi-periodic energetic fluid motion, which transports fluid on the cross-plane between the narrow gaps connecting subchannels. This phenomenon has also been observed in laminar flows. Unsteady laminar flow simulations were performed in a simplified bundle of three rods with a pipe. Three similar geometries of varying gap width were examined, and a thermal trace was implemented on the first geometry. Thermal mixing was driven by the advection of energy between subchannels by the cross-plane flow. Flow through the rod-to-wall gaps in the wall subchannels alternated with a dominant frequency, particularly when rod-to-wall gaps were smaller than rod-to-rod gaps. Significant phase-linking between rod-to-wall gaps was also observed such that a peripheral circulation occurred through each gap simultaneously. Cross-plane flow through the rod-to-rod gaps in the triangular subchannel was irregular in each case. This was due to the fundamental irregularity of the triangular subchannel geometry. Vortices were continually broken up by cross-plane flow from other gaps due to the odd number of fluid pathways within the central subchannel. Cross-plane flow in subchannel geometries is highly interconnected between gaps. The

  7. ROSA-V large scale test facility (LSTF) system description for the third and fourth simulated fuel assemblies

    Energy Technology Data Exchange (ETDEWEB)

    Suzuki, Mitsuhiro; Nakamura, Hideo; Ohtsu, Iwao [Japan Atomic Energy Research Inst., Tokai, Ibaraki (Japan). Tokai Research Establishment] [and others

    2003-03-01

    The Large Scale Test Facility (LSTF) is a full-height and 1/48 volumetrically scaled test facility of the Japan Atomic Energy Research Institute (JAERI) for system integral experiments simulating the thermal-hydraulic responses at full-pressure conditions of a 1100 MWe-class pressurized water reactor (PWR) during small break loss-of-coolant accidents (SBLOCAs) and other transients. The LSTF can also simulate well a next-generation type PWR such as the AP600 reactor. In the fifth phase of the Rig-of-Safety Assessment (ROSA-V) Program, eighty nine experiments have been conducted at the LSTF with the third simulated fuel assembly until June 2001, and five experiments have been conducted with the newly-installed fourth simulated fuel assembly until December 2002. In the ROSA-V program, various system integral experiments have been conducted to certify effectiveness of both accident management (AM) measures in beyond design basis accidents (BDBAs) and improved safety systems in the next-generation reactors. In addition, various separate-effect tests have been conducted to verify and develop computer codes and analytical models to predict non-homogeneous and multi-dimensional phenomena such as heat transfer across the steam generator U-tubes under the presence of non-condensable gases in both current and next-generation reactors. This report presents detailed information of the LSTF system with the third and fourth simulated fuel assemblies for the aid of experiment planning and analyses of experiment results. (author)

  8. Preliminary Screening - Technical and Economic Assessment of Synthesis Gas to Fuels and Chemicals With Emphasis on the Potential for Biomass-Derived Syngas

    Science.gov (United States)

    2003-12-01

    MTO, MOGD, TIGAS, and DME ) 4.1 Summary Currently, the majority of methanol is synthesized from syngas that is produced via steam reforming of...alumina, are known to catalyze methanol dehydration reactions to produce DME . By interacting with the Al2O3 support material, the ZnO effectively... dehydration of methanol to DME . Generally, 100 tons of methanol is converted to nearly 44 tons of hydrocarbons and 56 tons of water (Maiden 1983; Wender

  9. Preliminary screening: Technical and economic assessment of synthesis gas to fuels and chemicals with emphasis on the potential for biomass-derived syngas

    Energy Technology Data Exchange (ETDEWEB)

    Spath, P. L. [National Renewable Energy Lab. (NREL), Golden, CO (United States); Dayton, D. C. [National Renewable Energy Lab. (NREL), Golden, CO (United States)

    2003-12-01

    This report reviews the many syngas to products processes and summarizes the technology status and description, chemistry, catalysts, reactors, gas cleanliness requirements, process and environmental performances, and economics.

  10. Multi-phase micro-scale flow simulation in the electrodes of a PEM fuel cell by lattice Boltzmann method

    Science.gov (United States)

    Park, J.; Li, X.

    The gas diffusion layer of a polymer electrolyte membrane (PEM) fuel cell is a porous medium generally made of carbon cloth or paper. The gas diffusion layer has been modeled conventionally as a homogeneous porous medium with a constant permeability in the literature of PEM fuel cell. However, in fact, the permeability of such fibrous porous medium is strongly affected by the fiber orientation having non-isotropic permeability. In this work, the lattice Boltzmann (LB) method is applied to the multi-phase flow phenomenon in the inhomogeneous gas diffusion layer of a PEM fuel cell. The inhomogeneous porous structure of the carbon cloth and carbon paper has been modeled as void space and porous area using Stokes/Brinkman formulation and void space and impermeable fiber distributions obtained from various microscopic images. The permeability of the porous medium is calculated and compared to the experimental measurements in literature showing a good agreement. Simulation results for various fiber distributions indicate that the permeability of the medium is strongly influenced by the effect of fiber orientation. Present lattice Boltzmann flow models are applied to the multi-phase flow simulations by incorporating multi-component LB model with inter-particle interaction forces. The model successfully simulates the complicated unsteady behaviors of liquid droplet motion in the porous medium providing a useful tool to investigate the mechanism of liquid water accumulation/removal in a gas diffusion layer of a PEM fuel cell.

  11. Simulation of Thermopower Influence on Fuel Core of Power Rod in Nuclear Power Plant (NPP Active Zone

    Directory of Open Access Journals (Sweden)

    I. S. Kulikov

    2010-01-01

    Full Text Available The paper considers problems of modern methods for  calculation of designs and materials of nuclear power. A model of numerical analysis for stress-strain state of fuel pins in the NPP active zone is proposed in the paper. The paper contains simulation concerning a fuel core section of a nuclear reactor heat-generating element with subsequent solution of a temperature and thermoelastic problem in computer program complex FEA ANSYS Workbench 11.0. All the obtained results have passed through checking procedure.

  12. Simulated fission product-SiC interaction in Triso-coated LEU or MEU HTGR fuel particles

    Energy Technology Data Exchange (ETDEWEB)

    Pearson, R.L.; Lindemer, T.B.; Beahm, E.C.

    1980-11-01

    Proliferation issues relating to the use of highly enriched uranium (HEU) have led to an evaluation of the fission product-SiC interaction problems that might arise if low enriched uranium (LEU) or medium enriched uranium (MEU) were used as fissile fuel in HTGR systems. Simulated Triso-coated UO/sub 2/, UC/sub 2/, and UO/sub 2//UC/sub 2/ particles mixed with varying amounts of Mo, Ru, Rh, Pd, Ag, and Cd were prepared. These fission products were chosen because, after full burnup, their concentrations are higher in LEU and MEU fuels than in HEU fuel. After the particles were heat treated in the laboratory, their behavior was examined by use of metallography, scanning electron microscopy, and electron microprobe x-ray analysis.

  13. Simulation of the steady-state behaviour of a new design of a single planar Solid Oxide Fuel Cell

    Directory of Open Access Journals (Sweden)

    Pianko-Oprych Paulina

    2016-03-01

    Full Text Available The aim of the work was to develop a mathematical model for computing the steady-state voltage – current characteristics of a planar Solid Oxide Fuel Cell and to determine the performance of a new SOFC design. The design involves cross-flow bipolar plates. Each of the bipolar plates has an air channel system on one side and a fuel channel system on the other side. The proposed model was developed using the ANSYS-Fluent commercial Computational Fluid Dynamics (CFD software supported by additional Fuel Cell module. The results confirm that the model can well simulate the diagonal current path. The effects of temperature and gas flow through the channels and a Membrane Electrode Assembly (MEA structure were taken into account. It was shown that a significant increase of the MEA temperature at high current density can lead to hot spots formation and hence electrode damage.

  14. SARAPAN—A Simulated-Annealing-Based Tool to Generate Random Patterned-Channel-Age in CANDU Fuel Management Analyses

    Directory of Open Access Journals (Sweden)

    Doddy Kastanya

    2017-02-01

    Full Text Available In any reactor physics analysis, the instantaneous power distribution in the core can be calculated when the actual bundle-wise burnup distribution is known. Considering the fact that CANDU (Canada Deuterium Uranium utilizes on-power refueling to compensate for the reduction of reactivity due to fuel burnup, in the CANDU fuel management analysis, snapshots of power and burnup distributions can be obtained by simulating and tracking the reactor operation over an extended period using various tools such as the *SIMULATE module of the Reactor Fueling Simulation Program (RFSP code. However, for some studies, such as an evaluation of a conceptual design of a next-generation CANDU reactor, the preferred approach to obtain a snapshot of the power distribution in the core is based on the patterned-channel-age model implemented in the *INSTANTAN module of the RFSP code. The objective of this approach is to obtain a representative snapshot of core conditions quickly. At present, such patterns could be generated by using a program called RANDIS, which is implemented within the *INSTANTAN module. In this work, we present an alternative approach to derive the patterned-channel-age model where a simulated-annealing-based algorithm is used to find such patterns, which produce reasonable power distributions.

  15. FINITE ELEMENT SIMULATION FOR STRUCTURAL RESPONSE OF U7MO DISPERSION FUEL PLATES VIA FLUID-THERMAL-STRUCTURAL INTERACTION

    Energy Technology Data Exchange (ETDEWEB)

    Hakan Ozaltun; Herman Shen; Pavel Madvedev

    2010-11-01

    This article presents numerical simulation of dispersion fuel mini plates via fluid–thermal–structural interaction performed by commercial finite element solver COMSOL Multiphysics to identify initial mechanical response under actual operating conditions. Since fuel particles are dispersed in Aluminum matrix, and temperatures during the fabrication process reach to the melting temperature of the Aluminum matrix, stress/strain characteristics of the domain cannot be reproduced by using simplified models and assumptions. Therefore, fabrication induced stresses were considered and simulated via image based modeling techniques with the consideration of the high temperature material data. In order to identify the residuals over the U7Mo particles and the Aluminum matrix, a representative SEM image was employed to construct a microstructure based thermo-elasto-plastic FE model. Once residuals and plastic strains were identified in micro-scale, solution was used as initial condition for subsequent multiphysics simulations at the continuum level. Furthermore, since solid, thermal and fluid properties are temperature dependent and temperature field is a function of the velocity field of the coolant, coupled multiphysics simulations were considered. First, velocity and pressure fields of the coolant were computed via fluidstructural interaction. Computed solution for velocity fields were used to identify the temperature distribution on the coolant and on the fuel plate via fluid-thermal interaction. Finally, temperature fields and residual stresses were used to obtain the stress field of the plates via fluid-thermal-structural interaction.

  16. Computational simulation of thermal hydraulic processes in the model LMFBR fuel assembly

    Science.gov (United States)

    Bayaskhalanov, M. V.; Merinov, I. G.; Korsun, A. S.; Vlasov, M. N.

    2017-01-01

    The aim of this study was to verify a developed software module on the experimental fuel assembly with partial blockage of the flow section. The developed software module for simulation of thermal hydraulic processes in liquid metal coolant is based on theory of anisotropic porous media with specially developed integral turbulence model for coefficients determination. The finite element method is used for numerical solution. Experimental data for hexahedral assembly with electrically heated smooth cylindrical rods cooled by liquid sodium are considered. The results of calculation obtained with developed software module for a case of corner blockade are presented. The calculated distribution of coolant velocities showed the presence of the vortex flow behind the blockade. Features vortex region are in a good quantitative and qualitative agreement with experimental data. This demonstrates the efficiency of the hydrodynamic unit for developed software module. But obtained radial coolant temperature profiles differ significantly from the experimental in the vortex flow region. The possible reasons for this discrepancy were analyzed.

  17. The influence of hydrogen peroxide and hydrogen on the corrosion of simulated spent nuclear fuel.

    Science.gov (United States)

    Razdan, Mayuri; Shoesmith, David W

    2015-01-01

    The synergistic influence between H(2)O(2) and H(2) on the corrosion of SIMFUEL (simulated spent nuclear fuel) has been studied in solutions with and without added HCO(3)(-)/CO(3)(2-). The response of the surface to increasing concentrations of added H(2)O(2) was monitored by measuring the corrosion potential in either Ar or Ar/H(2)-purged solutions. Using X-ray photoelectron spectroscopy it was shown that the extent of surface oxidation (U(V) + U(VI) content) was directly related to the corrosion potential. Variations in corrosion potential with time, redox conditions, HCO(3)(-)/CO(3)(2-) concentration, and convective conditions showed that surface oxidation induced by H(2)O(2) could be reversed by reaction with H(2), the latter reaction occurring dominantly on the noble metal particles in the SIMFUEL. For sufficiently large H(2)O(2) concentrations, the influence of H(2) was overwhelmed and irreversible oxidation of the surface to U(VI) occurred. Subsequently, corrosion was controlled by the chemical dissolution rate of this U(VI) layer.

  18. A new concept of auxiliary fuel injection through tuyeres in blast furnaces developed by numerical simulations

    Directory of Open Access Journals (Sweden)

    Bruno Orlando de Almeida Santos

    2014-04-01

    Full Text Available The Injection of powdered materials in blast furnaces is a great option for reducing costs, increasing productivity and satisfy the environmental norms. Thus, this paper presents a study on the use of a flame stabilization system with rotation, designed to promote greater coal injection in the combustion zone, reducing losses and increasing the efficiency of the equipment. A physical model was used to evaluate scattering of pulverized fuel and is compared with numerical results in the same scale. In the second step, a combustion model was added to the numerical simulation, using dimensions of a real blast furnace. Fields like temperature, velocity and behavior of chemical reactions were analyzed. The results showed that double lances promote better particle injection when compared with simple lance for reduced material injection. The new injection system proposed, with swirl numbers of 0.12 and 0.24, promoted a better injection of both reduced material and temperature in the raceway zone. The swirl 0.24 showed superior performance when compared to other injection systems.

  19. Corrosion Performance of Fe-Based Alloys in Simulated Oxy-Fuel Environment

    Science.gov (United States)

    Zeng, Zuotao; Natesan, Ken; Cai, Zhonghou; Rink, David L.

    2017-02-01

    The long-term corrosion of Fe-based alloys in simulated oxy-fuel environment at 1023 K (750 °C) was studied. Detailed results are presented on weight change, scale thickness, internal penetration, microstructural characteristics of the corrosion products, and the cracking of scales for the alloys after exposure at 1023 K (750 °C) for up to 3600 hours. An incubation period during which the corrosion rate was low was observed for the alloys. After the incubation period, the corrosion accelerated, and the corrosion process followed linear kinetics. Effects of alloy, CaO-containing ash, and gas composition on the corrosion rate were also studied. In addition, synchrotron nanobeam X-ray analysis was employed to determine the phase and chemical composition of the oxide layers on the alloy surface. Results from these studies are being used to address the long-term corrosion performance of Fe-based alloys in various coal-ash combustion environments and to develop methods to mitigate high-temperature ash corrosion.

  20. Migration of BTEX and Biodegradation in Shallow Underground Water through Fuel Leak Simulation.

    Science.gov (United States)

    Cheng, Yaping; Chen, Yudao; Jiang, Yaping; Jiang, Lingzhi; Sun, Liqun; Li, Liuyue; Huang, Junyu

    2016-01-01

    To provide more reasonable references for remedying underground water, fuel leak was simulated by establishing an experimental model of a porous-aquifer sand tank with the same size as that of the actual tank and by monitoring the underground water. In the tank, traditional gasoline and ethyl alcohol gasoline were poured. This study was conducted to achieve better understanding of the migration and distribution of benzene, toluene, ethyl benzene, and xylene (BTEX), which are major pollutants in the underground water. Experimental results showed that, compared with conventional gasoline, the content peak of BTEX in the mixture of ethyl alcohol gasoline appeared later; BTEX migrated along the water flow direction horizontally and presented different pollution halos; BTEX also exhibited the highest content level at 45 cm depth; however, its content declined at the 30 and 15 cm depths vertically because of the vertical dispersion effect; the rise of underground water level increased the BTEX content, and the attenuation of BTEX content in underground water was related to the biodegradation in the sand tank, which mainly included biodegradation with oxygen, nitrate, and sulfate.

  1. Estimation of ring tensile properties of steam oxidized Zircaloy-4 fuel cladding under simulated LOCA condition

    Science.gov (United States)

    Shriwastaw, R. S.; Sawarn, Tapan K.; Banerjee, Suparna; Rath, B. N.; Dubey, J. S.; Kumar, Sunil; Singh, J. L.; Bhasin, Vivek

    2017-09-01

    The present study involves the estimation of ring tensile properties of Indian Pressurised Heavy Water Reactor (IPHWR) fuel cladding made of Zircaloy-4, subjected to experiments under a simulated loss-of-coolant-accident (LOCA) condition. Isothermal steam oxidation experiments were conducted on clad tube specimens at temperatures ranging from 900 to 1200 °C at an interval of 50 °C for different soaking periods with subsequent quenching in water at ambient temperature. The specimens, which survived quenching, were then subjected to ambient temperature ring tension test (RTT). The microstructure was correlated with the mechanical properties. The yield strength (YS) and ultimate tensile strength (UTS) increased initially with rise in oxidation temperature and time duration but then decreased with further increase in oxidation. Ductility is adversely affected with rising oxidation temperature and longer holding time. A higher fraction of load bearing phase and lower oxygen content in it ensures higher residual ductility. Cladding shows almost zero ductility behavior in RIT when load bearing phase fraction is less than 0.72 and its average oxygen concentration is greater than 0.58 wt%.

  2. Simulation of detonation of ammonium nitrate fuel oil mixture confined by aluminum: edge angles for DSD

    Energy Technology Data Exchange (ETDEWEB)

    Short, Mark [Los Alamos National Laboratory; Quirk, James J [Los Alamos National Laboratory; Kiyanda, Charles B [Los Alamos National Laboratory; Jackson, Scott I [Los Alamos National Laboratory; Briggs, Matthew E [Los Alamos National Laboratory; Shinas, Micheal A [Los Alamos National Laboratory

    2010-01-01

    Non-ideal high explosives are typically porous, low-density materials with a low detonation velocity (3--5 km/s) and long detonation reaction zone ({approx} cms). As a result, the interaction of a non-ideal high explosive with an inert confiner can be markedly different than for a conventional high explosive. Issues arise, for example, with light stiff confiners where the confiner can drive the high explosive (HE) through a Prandtl-Meyer fan at the HE/confiner interface rather than the HE driving the confiner. For a non-ideal high explosive confined by a high sound speed inert such that the detonation velocity is lower than the inert sound speed, the flow is subsonic and thus shockless in the confiner. In such cases, the standard detonation shock dynamics methodology, which requires a positive edge-angle be specified at the HE/confiner interface in order that the detonation shape be divergent, cannot be directly utilized. In order to study how detonation shock dynamics can be utilized in such cases, numerical simulations of the detonation of ammonium nitrate-fuel oil (ANFO) confined by aluminum 6061 are conducted.

  3. LMFBR source term experiments in the Fuel Aerosol Simulant Test (FAST) facility

    Energy Technology Data Exchange (ETDEWEB)

    Petrykowski, J.C.; Longest, A.W.

    1985-01-01

    The transport of uranium dioxide (UO/sub 2/) aerosol through liquid sodium was studied in a series of ten experiments in the Fuel Aerosol Simulant Test (FAST) facility at Oak Ridge National Laboratory (ORNL). The experiments were designed to provide a mechanistic basis for evaluating the radiological source term associated with a postulated, energetic core disruptive accident (CDA) in a liquid metal fast breeder reactor (LMFBR). Aerosol was generated by capacitor discharge vaporization of UO/sub 2/ pellets which were submerged in a sodium pool under an argon cover gas. Measurements of the pool and cover gas pressures were used to study the transport of aerosol contained by vapor bubbles within the pool. Samples of cover gas were filtered to determine the quantity of aerosol released from the pool. The depth at which the aerosol was generated was found to be the most critical parameter affecting release. The largest release was observed in the baseline experiment where the sample was vaporized above the sodium pool. In the nine ''undersodium'' experiments aerosol was generated beneath the surface of the pool at depths varying from 30 to 1060 mm. The mass of aerosol released from the pool was found to be a very small fraction of the original specimen. It appears that the bulk of aerosol was contained by bubbles which collapsed within the pool. 18 refs., 11 figs., 4 tabs.

  4. Simulation and experimental validation of droplet dynamics in microchannels of PEM fuel cells

    Science.gov (United States)

    Ashrafi, Moosa; Shams, Mehrzad; Bozorgnezhad, Ali; Ahmadi, Goodarz

    2016-12-01

    In this study, dynamics of droplets in the channels of proton exchange membrane fuel cells with straight and serpentine flow-fields was investigated. Tapered and filleted channels were suggested for the straight and serpentine flow-fields respectively in order to improve water removal in channels. Surface tension and wall adhesion forces were applied by using the volume of fluid method. The hydrophilic walls and hydrophobic gas diffusion layer were considered. The mechanism of droplets movement with different diameters was studied by using the Weber and capillary numbers in simple and tapered straight channels. It was illustrated that the flooding was reduced in tapered channel due to increase of water removal rate, and available reaction sites improved subsequently. In addition, film flow was formed in the tapered channel more than the simple channel, so pressure fluctuation was decreased in the tapered channel. Moreover, the water coverage ratio of hydrophilic tapered surface was more than the simple channel, which enhanced water removal from the channel. The filleted serpentine channel was introduced to improve water removal from the simple serpentine channel. It was shown by observation of the unsteady and time-averaged two-phase pressure drop that in the filleted serpentine channels, the two-phase pressure drop was far less than the simple serpentine channel, and also the accumulation of water droplets in the elbows was less leading to lower pressure fluctuation. The numerical simulation results were validated by experiments.

  5. Migration of BTEX and Biodegradation in Shallow Underground Water through Fuel Leak Simulation

    Directory of Open Access Journals (Sweden)

    Yaping Cheng

    2016-01-01

    Full Text Available To provide more reasonable references for remedying underground water, fuel leak was simulated by establishing an experimental model of a porous-aquifer sand tank with the same size as that of the actual tank and by monitoring the underground water. In the tank, traditional gasoline and ethyl alcohol gasoline were poured. This study was conducted to achieve better understanding of the migration and distribution of benzene, toluene, ethyl benzene, and xylene (BTEX, which are major pollutants in the underground water. Experimental results showed that, compared with conventional gasoline, the content peak of BTEX in the mixture of ethyl alcohol gasoline appeared later; BTEX migrated along the water flow direction horizontally and presented different pollution halos; BTEX also exhibited the highest content level at 45 cm depth; however, its content declined at the 30 and 15 cm depths vertically because of the vertical dispersion effect; the rise of underground water level increased the BTEX content, and the attenuation of BTEX content in underground water was related to the biodegradation in the sand tank, which mainly included biodegradation with oxygen, nitrate, and sulfate.

  6. Optimization of polymer electrolyte fuel cell cathode catalyst layers via direct numerical simulation modeling

    Energy Technology Data Exchange (ETDEWEB)

    Wang, Guoqing; Mukherjee, Partha P.; Wang, Chao-Yang [Electrochemical Engine Center (ECEC), Department of Mechanical and Nuclear Engineering, The Pennsylvania State University, University Park, PA 16802 (United States)

    2007-06-30

    The cathode catalyst layer (CL), due to sluggish oxygen reduction reaction and several transport losses therein, plays an important role in the overall performance of polymer electrolyte fuel cells (PEFCs). The relative volume fractions of the constituent phases, i.e. the electronic, electrolyte and void phases, of the cathode CL need to be selected appropriately in order to achieve an optimal balance between oxygen diffusion and proton conduction. In this work, the influence of electrolyte and void phase fractions of the cathode CL on the cell performance is investigated based on a pore-level description of species and charge transport through a random CL microstructure via the direct numerical simulation (DNS) model. Additionally, the effects of inlet relative humidity and net water transport from the anode on the cathode performance have been studied which indicate the interdependence between the CL composition and the cell operating conditions. The results indicate that the low humidity operation benefits the performance by enhancing the oxygen transport especially under high current densities. Finally, the DNS model predicts the volume fractions of 0.4 and 0.26 for the void and electrolyte phases, respectively, as the optimal composition of the catalyst layer for the best performance. (author)

  7. Corrosion Performance of Fe-Based Alloys in Simulated Oxy-Fuel Environment

    Science.gov (United States)

    Zeng, Zuotao; Natesan, Ken; Cai, Zhonghou; Rink, David L.

    2016-09-01

    The long-term corrosion of Fe-based alloys in simulated oxy-fuel environment at 1023 K (750 °C) was studied. Detailed results are presented on weight change, scale thickness, internal penetration, microstructural characteristics of the corrosion products, and the cracking of scales for the alloys after exposure at 1023 K (750 °C) for up to 3600 hours. An incubation period during which the corrosion rate was low was observed for the alloys. After the incubation period, the corrosion accelerated, and the corrosion process followed linear kinetics. Effects of alloy, CaO-containing ash, and gas composition on the corrosion rate were also studied. In addition, synchrotron nanobeam X-ray analysis was employed to determine the phase and chemical composition of the oxide layers on the alloy surface. Results from these studies are being used to address the long-term corrosion performance of Fe-based alloys in various coal-ash combustion environments and to develop methods to mitigate high-temperature ash corrosion.

  8. Large Eddy Simulation of the fuel transport and mixing process in a scramjet combustor with rearwall-expansion cavity

    Science.gov (United States)

    Cai, Zun; Liu, Xiao; Gong, Cheng; Sun, Mingbo; Wang, Zhenguo; Bai, Xue-Song

    2016-09-01

    Large Eddy Simulation (LES) was employed to investigate the fuel/oxidizer mixing process in an ethylene fueled scramjet combustor with a rearwall-expansion cavity. The numerical solver was first validated for an experimental flow, the DLR strut-based scramjet combustor case. Shock wave structures and wall-pressure distribution from the numerical simulations were compared with experimental data and the numerical results were shown in good agreement with the available experimental data. Effects of the injection location on the flow and mixing process were then studied. It was found that with a long injection distance upstream the cavity, the fuel is transported much further into the main flow and a smaller subsonic zone is formed inside the cavity. Conversely, with a short injection distance, the fuel is entrained more into the cavity and a larger subsonic zone is formed inside the cavity, which is favorable for ignition in the cavity. For the rearwall-expansion cavity, it is suggested that the optimized ignition location with a long upstream injection distance should be in the bottom wall in the middle part of the cavity, while the optimized ignition location with a short upstream injection distance should be in the bottom wall in the front side of the cavity. By employing a cavity direct injection on the rear wall, the fuel mass fraction inside the cavity and the local turbulent intensity will both be increased due to this fueling, and it will also enhance the mixing process which will also lead to increased mixing efficiency. For the rearwall-expansion cavity, the combined injection scheme is expected to be an optimized injection scheme.

  9. Use of alternative fuels in solid oxide fuel cells

    Energy Technology Data Exchange (ETDEWEB)

    NONE

    2007-05-15

    A future sustainable energy system will certainly be based on a variety of environmentally benign energy production technologies. Fuel cells can be a key element in this scenario. One of the fuel cells types the solid oxide fuel cell (SOFC) has a number of advantages that places them in a favorable position: high efficiency, parallel production of electricity and high value heat, prevention of NOx emission, flexibility regarding usable fuels, and certain tolerance towards impurities. It is thus a natural option, to combine such a highly efficient energy conversion tool with a sustainable fuel supply. In the present contribution, the use of alternative compared to conventional fuels in SOFCs was evaluated. Regarding carbon containing, biomass derived fuels, SOFCs showed excellent power output and stability behavior during long-term testing under technologically relevant conditions. Moreover, ammonia can be used directly as fuel. The chemical and structural properties of the SOFC anode makes it even possible, to combine a chemical conversion of the fuel, for example methane into synthesis gas via steam reforming and decomposition of ammonia into hydrogen and nitrogen, with the electrochemical production of electricity in one step. (au)

  10. Dynamic Simulation of a Proton Exchange Membrane Fuel Cell System For Automotive Applications

    DEFF Research Database (Denmark)

    Rabbani, Raja Abid; Rokni, Masoud

    2012-01-01

    A dynamic model of the PEMFC system is developed to investigate the behaviour and transient response of the fuel cell system for automotive applications. The system accounts for the fuel cell stack with coolant, humidifier, heat exchangers and pumps. Governing equations for fuel cell and humidifier...... sufficient insight for further in-depth analysis of PEMFC and prove to be a basis for efficient control and design methodologies....

  11. Numerical Simulation of Dynamic Performance of the Molten Carbonate Fuel Cell

    Institute of Scientific and Technical Information of China (English)

    于立军; 袁俊琪; 曾广益; 姜秀民

    2004-01-01

    A three dimension of dynamic mathematical model of the molten carbonate fuel cell is established,in which the heat generation, mass transfer and electrochemical characteristics are described. The performance of the fuel cell including the distributions of the temperature and the velocity is predicted numerically. Then the experimental data including the output performance of the fuel cell generation system and the temperature distributions are compared. The numerical results are in agreement with the experiment results.

  12. Simulation of radiation induced dissolution of spent nuclear fuel using the steady-state approach. A comparison to experimental data

    Science.gov (United States)

    Nielsen, Fredrik; Ekeroth, Ella; Eriksen, Trygve E.; Jonsson, Mats

    2008-02-01

    Using the recently developed steady-state model for simulation of radiation induced dissolution of spent nuclear fuel in water we have estimated the rate of dissolution for relatively fresh fuel to 1.64 × 10 -9 mol m -2 s -1. A series of experiments have been performed on fuel fragments in deoxygenated water containing 10 mM HCO 3-. The dissolution rates obtained from these experiments range from 2.6 × 10 -10 to 1.6 × 10 -9 mol m -2 s -1. The leaching time in the experiments is 40 days or less and during this time the amount of released uranium increases linearly with time which indicates that the system has reached steady-state. The excellent agreement between the estimated dissolution rate and the dissolution rates obtained from the spent nuclear fuel leaching experiments indicates that the steady-state approach can indeed be used to predict the rate of spent nuclear fuel dissolution.

  13. Experimental evaluation of hybrid vehicle fuel economy and pollutant emissions over real-world simulation driving cycles

    Science.gov (United States)

    Fontaras, Georgios; Pistikopoulos, Panayotis; Samaras, Zissis

    2008-06-01

    The reduction of transport-generated CO2 emissions is currently a problem of global interest. Hybrid electric vehicles (HEVs) are considered as one promising technological solution for limiting transport-generated greenhouse gas emissions. Currently, the number of HEVs in the market remains limited, but this picture will change in the years to come as HEVs are expected to pave the way for cleaner technologies in transport. In this paper, results are presented regarding fuel economy and pollutant emissions measurements of two hybrid electric production vehicles. The measurements were conducted on a Prius II and a Honda Civic IMA using both the European legislated driving cycle (New European Driving Cycle, NEDC) and real-world simulation driving cycles (Artemis). In addition to the emissions measurements, other vehicle-operating parameters were studied in an effort to better quantify the maximum CO2 reduction potential. Data from real-world operation of a Prius II vehicle were also used in the evaluation. Results indicate that in most cases both vehicles present improved energy efficiency and pollutant emissions compared to conventional cars. The fuel economy benefit of the two HEVs peaked under urban driving conditions where reductions of 60% and 40% were observed, respectively. Over higher speeds the difference in fuel economy was lower, reaching that of conventional diesel at 95 km h-1. The effect of ambient temperature on fuel consumption was also quantified. It is concluded that urban operation benefits the most of hybrid technology, leading to important fuel savings and urban air quality improvement.

  14. Validation of a zero-dimensional and 2-phase combustion model for dual-fuel compression ignition engine simulation

    Directory of Open Access Journals (Sweden)

    Mikulski Maciej

    2017-01-01

    Full Text Available Increasing demands for the reduction of exhaust emissions and the pursuit to re-duce the use of fossil fuels require the search for new fuelling technologies in combustion engines. One of the most promising technologies is the multi-fuel compression ignition engine concept, in which a small dose of liquid fuel injected directly into the cylinder acts as the ignition inhibitor of the gaseous fuel. Achieving the optimum combustion process in such an engine requires the application of advanced control algorithms which require mathematical modelling support. In response to the growing demand for new simulation tools, a 0-D model of a dual-fuel engine was proposed and validated. The validation was performed in a broad range of engine operating points, including various speeds and load condition, as well as different natural gas/diesel blend ratios. It was demonstrated that the average model calculation error within the entire cycle did not exceed 6.2%, and was comparable to the measurement results cycle to cycle variations. The maximum model calculation error in a single point of a cycle was 15% for one of the complex (multipoint injection cases. In other cases, it did not exceed 11%.

  15. V.S.O.P. (99/09) computer code system for reactor physics and fuel cycle simulation. Version 2009

    Energy Technology Data Exchange (ETDEWEB)

    Ruetten, H.J.; Haas, K.A.; Brockmann, H.; Ohlig, U.; Pohl, C.; Scherer, W.

    2010-07-15

    V.S.O.P. (99/ 09) represents the further development of V.S.O.P. (99/ 05). Compared to its precursor, the code system has been improved again in many details. The main motivation for this new code version was to update the basic nuclear libraries used by the code system. Thus, all cross section libraries involved in the code have now been based on ENDF/B-VII. V.S.O.P. is a computer code system for the comprehensive numerical simulation of the physics of thermal reactors. It implies the setup of the reactor and of the fuel element, processing of cross sections, neutron spectrum evaluation, neutron diffusion calculation in two or three dimensions, fuel burnup, fuel shuffling, reactor control, thermal hydraulics and fuel cycle costs. The thermal hydraulics part (steady state and time-dependent) is restricted to gas-cooled reactors and to two spatial dimensions. The code can simulate the reactor operation from the initial core towards the equilibrium core. This latest code version was developed and tested under the WINDOWS-XP - operating system. (orig.)

  16. V.S.O.P. (99) for WINDOWS and UNIX. Computer code system for reactor physics and fuel cycle simulation

    Energy Technology Data Exchange (ETDEWEB)

    Ruetten, H.J.; Haas, K.A.; Brockmann, H.; Ohlig, U.; Scherer, W.

    2000-10-01

    V.S.O.P. is a computer code system for the comprehensive numerical simulation of the physics of thermal reactors. It implies the setup of the reactor and of the fuel element, processing of cross sections, neutron spectrum evaluation, neutron diffusion calculation in two or three dimensions, fuel burnup, fuel shuffling, reactor control, thermal hydraulics and fuel cycle costs. The thermal hydraulics part (steady state and time-dependent) is restricted to HTRs and to two spatial dimensions. The code can simulate the reactor operation from the initial core towards the equilibrium core. V.S.O.P.(99) represents the further development of V.S.O.P. (97). Compared to its precursor, the code system has been improved in many details. Major extensions have been included concerning the thermal hydraulic sections. Beyond that, the many modules of the code-system have been condensed to only 2 executables in the ''99''-release of V.S.O.P., to be comfortably handled on a WINDOWS-PC or a UNIX-computer. The necessary data input as well as the handling and book-keeping of intermediate data sets has been condensed and simplified. A 64 MB memory should be available for the execution of the code. The hard disk requirement for the executables and the basic libraries associated with the code amounts to about 7 MB. (orig.)

  17. Development and Experimental Benchmark of Simulations to Predict Used Nuclear Fuel Cladding Temperatures during Drying and Transfer Operations

    Energy Technology Data Exchange (ETDEWEB)

    Greiner, Miles [Univ. of Nevada, Reno, NV (United States)

    2017-03-31

    Radial hydride formation in high-burnup used fuel cladding has the potential to radically reduce its ductility and suitability for long-term storage and eventual transport. To avoid this formation, the maximum post-reactor temperature must remain sufficiently low to limit the cladding hoop stress, and so that hydrogen from the existing circumferential hydrides will not dissolve and become available to re-precipitate into radial hydrides under the slow cooling conditions during drying, transfer and early dry-cask storage. The objective of this research is to develop and experimentallybenchmark computational fluid dynamics simulations of heat transfer in post-pool-storage drying operations, when high-burnup fuel cladding is likely to experience its highest temperature. These benchmarked tools can play a key role in evaluating dry cask storage systems for extended storage of high-burnup fuels and post-storage transportation, including fuel retrievability. The benchmarked tools will be used to aid the design of efficient drying processes, as well as estimate variations of surface temperatures as a means of inferring helium integrity inside the canister or cask. This work will be conducted effectively because the principal investigator has experience developing these types of simulations, and has constructed a test facility that can be used to benchmark them.

  18. Measurements of reaction rate ratios as indexes of breeding performance in mock-up cores of FCA simulating metallic-fueled LMFBR and MOX-fueled LMFBR

    Energy Technology Data Exchange (ETDEWEB)

    Sakurai, Takeshi; Nemoto, Tatsuo [Japan Atomic Energy Research Inst., Tokai, Ibaraki (Japan). Tokai Research Establishment; Kobayashi, Keiji; Unesaki, Hironobu

    1999-08-01

    Measurements and analysis for reaction rate ratio of {sup 238}U capture to {sup 239}Pu fission (C8/F9) and that of {sup 238}U capture to {sup 235}U fission (C8/F5), which are important as indexes of breeding behavior of a fast breeder reactor, were made at Fast Critical Assembly (FCA) of Japan Atomic Energy Research Institute. The measurements were made by a foil activation technique at two assemblies simulating metallic-fueled liquid metal fast breeder reactor and an assembly simulating a MOX-fueled one. The analysis was made based on JENDL3.2 nuclear data file. Calculation to experiment ratios of C8/F9 and C8/F5 were 0.99-1.02 and 1.0-1.03 respectively. Furthermore, the {sup 238}U capture rate and the {sup 235}U fission rate were measured in a thermal neutron standard field in Heavy Water Facility of Kyoto University Research Reactor to verify accuracy of the present foil activation technique itself and to confirm these C/E values. (author)

  19. Lactic acid production from biomass-derived sugars via co-fermentation of Lactobacillus brevis and Lactobacillus plantarum.

    Science.gov (United States)

    Zhang, Yixing; Vadlani, Praveen V

    2015-06-01

    Lignocellulosic biomass is an attractive alternative resource for producing chemicals and fuels. Xylose is the dominating sugar after hydrolysis of hemicellulose in the biomass, but most microorganisms either cannot ferment xylose or have a hierarchical sugar utilization pattern in which glucose is consumed first. To overcome this barrier, Lactobacillus brevis ATCC 367 was selected to produce lactic acid. This strain possesses a relaxed carbon catabolite repression mechanism that can use glucose and xylose simultaneously; however, lactic acid yield was only 0.52 g g(-1) from a mixture of glucose and xylose, and 5.1 g L(-1) of acetic acid and 8.3 g L(-1) of ethanol were also formed during production of lactic acid. The yield was significantly increased and ethanol production was significantly reduced if L. brevis was co-cultivated with Lactobacillus plantarum ATCC 21028. L. plantarum outcompeted L. brevis in glucose consumption, meaning that L. brevis was focused on converting xylose to lactic acid and the by-product, ethanol, was reduced due to less NADH generated in the fermentation system. Sequential co-fermentation of L. brevis and L. plantarum increased lactic acid yield to 0.80 g g(-1) from poplar hydrolyzate and increased yield to 0.78 g lactic acid per g of biomass from alkali-treated corn stover with minimum by-product formation. Efficient utilization of both cellulose and hemicellulose components of the biomass will improve overall lactic acid production and enable an economical process to produce biodegradable plastics.

  20. Monte Carlo simulation. The water regime in the gas diffusion layer of a PEM fuel cell; Monte-Carlo-Simulation. Wasserhaushalt in der GDL einer PEM-Brennstoffzelle

    Energy Technology Data Exchange (ETDEWEB)

    Seidenberger, Katrin; Wilhelm, Florian; Scholta, Joachim [Zentrum fuer Sonnenenergie- und Wasserstoff-Forschung Baden-Wuerttemberg (ZSW), Ulm (Germany)

    2011-04-15

    The life of a fuel cell is determined by the life of its components. A Monte Carlo model developed by Zentrum fuer Sonnenenergie- und Wasserstoff-Forschung Baden-Wuerttemberg (ZWS) focuses on the gas diffusion layer (GDL). The simulation program assumes a medium-scale water distribution, thus enabling the detection of water accumulation in the GDL. The results can be compared with experimental data, e.g. from synchrotron tomography measurements, and verified.

  1. Numerical simulation of three-dimensional gas/liquid two-phase flow in a proton exchange membrane fuel cell

    Institute of Scientific and Technical Information of China (English)

    ZHUGE Weilin; ZHANG Yangjun; MING Pingwen; LAO Xingsheng; CHEN Xiao

    2007-01-01

    Investigation into the formation and transport of liquid water in proton exchange membrane fuel cells (PEMFCs) is the key to fuel cell water management.A threedimensional gas/liquid two-phase flow and heat transfer model is developed based on the multiphase mixture theory.The reactant gas flow,diffusion,and chemical reaction as well as the liquid water transport and phase change process are modeled.Numerical simulations on liquid water distribution and its effects on the performance of a PEMFC are conducted.Results show that liquid water distributes mostly in the cathode,and predicted cell performance decreases quickly at high current density due to the obstruction of liquid water to oxygen diffusion.The simulation results agree well with experimental data.

  2. COMBUSTION SIMULATION IN A SPARK IGNITION ENGINE CYLINDER: EFFECTS OF AIR-FUEL RATIO ON THE COMBUSTION DURATION

    OpenAIRE

    2010-01-01

    Combustion is an important subject of internal combustion engine studies. To reduce the air pollution from internal combustion engines and to increase the engine performance, it is required to increase combustion efficiency. In this study, effects of air/fuel ratio were investigated numerically. An axisymmetrical internal combustion engine was modeled in order to simulate in-cylinder engine flow and combustion. Two dimensional transient continuity, momentum, turbulence, energy, and combustion...

  3. Water Balance Simulations of a PEM Fuel Cell Using a Two-Fluid Model

    DEFF Research Database (Denmark)

    Berning, Torsten; Odgaard, Madeleine; Kær, Søren Knudsen

    2010-01-01

    A previously published computational multi-phase model of a polymer-electrolyte membrane fuel cell has been extended in order to account for the anode side and the electrolyte membrane. The model has been applied to study the water balance of a fuel cell during operation under various humidificat...

  4. Characterization and simulation of soft gamma-ray mirrors for their use with spent fuel rods at reprocessing facilities.

    Science.gov (United States)

    Ruz, J; Descalle, M A; Alameda, J B; Brejnholt, N F; Chichester, D L; Decker, T A; Fernandez-Perea, M; Hill, R M; Kisner, R A; Melin, A M; Patton, B W; Soufli, R; Trellue, H; Watson, S M; Ziock, K P; Pivovaroff, M J

    2016-06-01

    The use of a grazing incidence optic to selectively reflect K-shell fluorescence emission and isotope-specific lines from special nuclear materials is a highly desirable nondestructive analysis method for use in reprocessing fuel environments. Preliminary measurements have been performed, and a simulation suite has been developed to give insight into the design of the x ray optics system as a function of the source emission, multilayer coating characteristics, and general experimental configurations. The experimental results are compared to the predictions from our simulation toolkit to illustrate the ray-tracing capability and explore the effect of modified optics in future measurement campaigns.

  5. Digital Simulation of Closed Loop Zvs-Zcs Bidirectional Dc-Dc Converter for Fuel Cell and Battery Application

    Directory of Open Access Journals (Sweden)

    V. V. Subrahmanya Kumar Bhajana

    2010-08-01

    Full Text Available A closed loop ZVS-ZCS bidirectional dc-dc converter is modeled and appropriate digital simulations are provided. With the ZVS-ZCS concept, the MATLAB simulation results of application to a fuel cell and battery application have been obtained whenever the input voltage exceeds the given 24V, at that time the load voltage will change from 180V to 230V. But due to this usage the load is disturbed and there is instability in the model. Using closed loop the output voltage is stabilized.

  6. Energy analysis of electric vehicles using batteries or fuel cells through well-to-wheel driving cycle simulations

    Energy Technology Data Exchange (ETDEWEB)

    Campanari, Stefano; Manzolini, Giampaolo; Garcia de la Iglesia, Fernando [Politecnico di Milano, Department of Energy, Piazza Leonardo da Vinci 32, 20133 Milano (Italy)

    2009-01-15

    This work presents a study of the energy and environmental balances for electric vehicles using batteries or fuel cells, through the methodology of the well to wheel (WTW) analysis, applied to ECE-EUDC driving cycle simulations. Well to wheel balances are carried out considering different scenarios for the primary energy supply. The fuel cell electric vehicles (FCEV) are based on the polymer electrolyte membrane (PEM) technology, and it is discussed the possibility to feed the fuel cell with (i) hydrogen directly stored onboard and generated separately by water hydrolysis (using renewable energy sources) or by conversion processes using coal or natural gas as primary energy source (through gasification or reforming), (ii) hydrogen generated onboard with a fuel processor fed by natural gas, ethanol, methanol or gasoline. The battery electric vehicles (BEV) are based on Li-ion batteries charged with electricity generated by central power stations, either based on renewable energy, coal, natural gas or reflecting the average EU power generation feedstock. A further alternative is considered: the integration of a small battery to FCEV, exploiting a hybrid solution that allows recovering energy during decelerations and substantially improves the system energy efficiency. After a preliminary WTW analysis carried out under nominal operating conditions, the work discusses the simulation of the vehicles energy consumption when following standardized ECE-EUDC driving cycle. The analysis is carried out considering different hypothesis about the vehicle driving range, the maximum speed requirements and the possibility to sustain more aggressive driving cycles. The analysis shows interesting conclusions, with best results achieved by BEVs only for very limited driving range requirements, while the fuel cell solutions yield best performances for more extended driving ranges where the battery weight becomes too high. Results are finally compared to those of conventional internal

  7. Direct numerical simulations of the ignition of lean primary reference fuel/air mixtures with temperature inhomogeneities

    KAUST Repository

    Luong, Minhbau

    2013-10-01

    The effects of fuel composition, thermal stratification, and turbulence on the ignition of lean homogeneous primary reference fuel (PRF)/air mixtures under the conditions of constant volume and elevated pressure are investigated by direct numerical simulations (DNSs) with a new 116-species reduced kinetic mechanism. Two-dimensional DNSs were performed in a fixed volume with a two-dimensional isotropic velocity spectrum and temperature fluctuations superimposed on the initial scalar fields with different fuel compositions to elucidate the influence of variations in the initial temperature fluctuation and turbulence intensity on the ignition of three different lean PRF/air mixtures. In general, it was found that the mean heat release rate increases slowly and the overall combustion occurs fast with increasing thermal stratification regardless of the fuel composition under elevated pressure and temperature conditions. In addition, the effect of the fuel composition on the ignition characteristics of PRF/air mixtures was found to vanish with increasing thermal stratification. Chemical explosive mode (CEM), displacement speed, and Damköhler number analyses revealed that the high degree of thermal stratification induces deflagration rather than spontaneous ignition at the reaction fronts, rendering the mean heat release rate more distributed over time subsequent to thermal runaway occurring at the highest temperature regions in the domain. These analyses also revealed that the vanishing of the fuel effect under the high degree of thermal stratification is caused by the nearly identical propagation characteristics of deflagrations of different PRF/air mixtures. It was also found that high intensity and short-timescale turbulence can effectively homogenize mixtures such that the overall ignition is apt to occur by spontaneous ignition. These results suggest that large thermal stratification leads to smooth operation of homogeneous charge compression-ignition (HCCI

  8. Electrochemical enhancement of nitric oxide removal from simulated lean-burn engine exhaust via solid oxide fuel cells.

    Science.gov (United States)

    Huang, Ta-Jen; Wu, Chung-Ying; Lin, Yu-Hsien

    2011-07-01

    A solid oxide fuel cell (SOFC) unit is constructed with Ni-YSZ as the anode, YSZ as the electrolyte, and La(0.6)Sr(0.4)CoO(3)-Ce(0.9)Gd(0.1)O(1.95) as the cathode. The SOFC operation is performed at 600 °C with a cathode gas simulating the lean-burn engine exhaust and at various fixed voltage, at open-circuit voltage, and with an inert gas flowing over the anode side, respectively. Electrochemical enhancement of NO decomposition occurs when an operating voltage is generated; higher O(2) concentration leads to higher enhancement. Smaller NO concentration results in larger NO conversion. Higher operating voltage and higher O(2) concentration can lead to both higher NO conversion and lower fuel consumption. The molar rate of the consumption of the anode fuel can be very much smaller than that of NO to N(2) conversion. This makes the anode fuel consumed in the SOFC-DeNO(x) process to be much less than the equivalent amount of ammonia consumed in the urea-based selective catalytic reduction process. Additionally, the NO conversion increases with the addition of propylene and SO(2) into the cathode gas. These are beneficial for the application of the SOFC-DeNO(x) technology on treating diesel and other lean-burn engine exhausts.

  9. Quantitative Imaging of Turbulent Mixing Dynamics in High-Pressure Fuel Injection to Enable Predictive Simulations of Engine Combustion

    Energy Technology Data Exchange (ETDEWEB)

    Frank, Jonathan H. [Sandia National Lab. (SNL-CA), Livermore, CA (United States). Reacting Flows Dept.; Pickett, Lyle M. [Sandia National Lab. (SNL-CA), Livermore, CA (United States). Engine Combustion Dept.; Bisson, Scott E. [Sandia National Lab. (SNL-CA), Livermore, CA (United States). Remote Sensing and Energetic Materials Dept.; Patterson, Brian D. [Sandia National Lab. (SNL-CA), Livermore, CA (United States). combustion Chemistry Dept.; Ruggles, Adam J. [Sandia National Lab. (SNL-CA), Livermore, CA (United States). Reacting Flows Dept.; Skeen, Scott A. [Sandia National Lab. (SNL-CA), Livermore, CA (United States). Engine Combustion Dept.; Manin, Julien Luc [Sandia National Lab. (SNL-CA), Livermore, CA (United States). Engine Combustion Dept.; Huang, Erxiong [Sandia National Lab. (SNL-CA), Livermore, CA (United States). Reacting Flows Dept.; Cicone, Dave J. [Sandia National Lab. (SNL-CA), Livermore, CA (United States). Engine Combustion Dept.; Sphicas, Panos [Sandia National Lab. (SNL-CA), Livermore, CA (United States). Engine Combustion Dept.

    2015-09-01

    In this LDRD project, we developed a capability for quantitative high - speed imaging measurements of high - pressure fuel injection dynamics to advance understanding of turbulent mixing in transcritical flows, ignition, and flame stabilization mechanisms, and to provide e ssential validation data for developing predictive tools for engine combustion simulations. Advanced, fuel - efficient engine technologies rely on fuel injection into a high - pressure, high - temperature environment for mixture preparation and com bustion. Howe ver, the dynamics of fuel injection are not well understood and pose significant experimental and modeling challenges. To address the need for quantitative high - speed measurements, we developed a Nd:YAG laser that provides a 5ms burst of pulses at 100 kHz o n a robust mobile platform . Using this laser, we demonstrated s patially and temporally resolved Rayleigh scattering imaging and particle image velocimetry measurements of turbulent mixing in high - pressure gas - phase flows and vaporizing sprays . Quantitativ e interpretation of high - pressure measurements was advanced by reducing and correcting interferences and imaging artifacts.

  10. Determination of the Operating Envelope for a Direct Fired Fuel Cell Turbine Hybrid Using Hardware Based Simulation

    Energy Technology Data Exchange (ETDEWEB)

    David Tucker; Eric Liese; Randall Gemmen

    2009-02-10

    The operating range of a direct fired solid oxide fuel cell gas turbine (SOFC/GT) hybrid with bypass control of cathode airflow was determined using a hardware-based simulation facility designed and built by the U.S. Department of Energy, National Energy Technology Laboratory (NETL). Three methods of cathode airflow management using bypass valves in a hybrid power system were evaluated over the maximum range of operation. The cathode air flow was varied independently over the full range of operation of each bypass valve. Each operating point was taken at a steady state condition and was matched to the thermal, pressure and flow output of a corresponding fuel cell operation condition. Turbine electric load was also varied so that the maximum range of fuel cell operation could be studied, and a preliminary operating map could be made. Results are presented to show operating envelopes in terms of cathode air flow, fuel cell and turbine load, and compressor surge margin to be substantial.

  11. Simulation of fuel dispersion in the MYRRHA-FASTEF primary coolant with CFD and SIMMER-IV

    Energy Technology Data Exchange (ETDEWEB)

    Buckingham, Sophia, E-mail: sophia.buckingham@vki.ac.be [von Karman Institute, Chaussée de Waterloo 72, B-1640 Rhode-St-Genèse (Belgium); Planquart, Philippe [von Karman Institute, Chaussée de Waterloo 72, B-1640 Rhode-St-Genèse (Belgium); Eboli, Marica [University of Pisa, Largo Lucio Lazzarino 2, 56122 Pisa (Italy); Moreau, Vincent [CRS4, Science and Technology Park Polaris – Piscina Manna, 09010 Pula (Italy); Van Tichelen, Katrien [SCK-CEN, Boeretang 200, 2400 Mol (Belgium)

    2015-12-15

    Highlights: • A comparison between CFD and system codes applied to long-term dispersion of fuel particles inside the MYRRHA reactor is proposed. • Important accumulations at the free-surface level are to be expected. • The risk of core blockage should not be neglected. • Numerical approach and modeling assumptions have a strong influence on the simulation results and accuracy. - Abstract: The objective of this work is to assess the behavior of fuel redistribution in heavy liquid metal nuclear systems under fuel pin failure conditions. Two different modeling approaches are considered using Computational Fluid Dynamics (CFD) codes and a system code, applied to the MYRRHA facility primary coolant loop version 1.4. Two different CFD models are constructed: the first is a single-phase steady model prepared in ANSYS Fluent, while the second is a two-phase model based on the volume of fluid (VOF) method in STARCCM+ to capture the upper free-surface dynamics. Both use a Lagrangian tracking approach with oneway coupling to follow the particles throughout the reactor. The system code SIMMER-IV is used for the third model, without neutronic coupling. Although limited regarding the fluid dynamic aspects compared to the CFD codes, comparisons of particle distributions highlight strong similarities despite quantitative discrepancies in the size of fuel accumulations. These disparities should be taken into account while performing the safety analysis of nuclear systems and developing strategies for accident mitigation.

  12. Laboratory Investigations of the High Temperature Corrosion of Various Materials in Simulated oxy-fuel and Conventional Coal Firing

    Energy Technology Data Exchange (ETDEWEB)

    Folkeson, N.; Pettersson, J.; Svensson, J.E. [Chalmers Univ. of Technology (Sweden); Hjornhede, A. [Vattenfall Power Consultant AB (Sweden); Montgomery, M. [Vattenfall Heat Nordic/DTU Mekanik (Denmark); Bjurman, M. [Vattenfall Research and Development AB (Sweden)

    2009-07-01

    Laboratory exposures in horizontal tube furnaces were conducted to test various materials for corrosion resistance in simulated oxy-fuel firing and conventional coal firing environments. Two different exposures were done at 630 C for 672 hours. The reaction atmosphere, consisting of CO{sub 2}, H{sub 2}O, O{sub 2}, N{sub 2} and SO{sub 2}, was mixed to resemble that of oxy-fuel firing in the first exposure and that of conventional coal firing in the second exposure (N{sub 2} was added during the second exposure only). Four different materials were tested in the first exposure; Sanicro 63, Alloy 800HT, 304L and 304HCu. In the second exposure four different materials were tested; 304L, Alloy 800HT, Kanthal APMT and NiCrAl. Apart from cleaned sample coupons, some samples pre-exposed in a test rig under oxy-fuel conditions with lignite as fuel and some pre-exposed with bituminous coal as fuel were investigated in the first exposure. In the second exposure some samples were pre-exposed in a rig under conventional firing conditions with lignite as fuel. The corrosion attack on the investigated samples was analysed by gravimetry, x-ray diffraction (XRD) and scanning electron microscopy (SEM) with energy dispersive x-ray (EDX). The SEM/EDX analysis was made on both the sample envelope and metallographic cross sections of the samples. The results show that there is small difference in the corrosion attack between the two environments. There was also little difference in oxide morphology and composition between cleaned samples and pre-exposed samples of the same material. The austenitic chromia former 304HCu suffered the most extensive corrosion attack in the oxy-fuel environment. In the conventional air firing environment 304L showed the highest mass gain. Chromia formers with higher chromium concentrations performed better, especially the super austenitic Alloy 800HT, with its high chromium concentration, formed a thin and protective corundum type oxide. The nickel based

  13. Pumped lithium loop test to evaluate advanced refractory metal alloys and simulated nuclear fuel elements

    Science.gov (United States)

    Brandenburf, G. P.; Hoffman, E. E.; Smith, J. P.

    1974-01-01

    The performance was determined of refractory metal alloys and uranium nitride fuel element specimens in flowing 1900F (1083C) lithium. The results demonstrate the suitability of the selected materials to perform satisfactorily from a chemical compatibility standpoint.

  14. Simulation methods of rocket fuel refrigerating with liquid nitrogen and intermediate heat carrier

    National Research Council Canada - National Science Library

    O. E. Denisov; A. V. Zolin; V. V. Chugunkov

    2014-01-01

    Temperature preparation of liquid propellant components (LPC) before fueling the tanks of rocket and space technology is the one of the operations performed by ground technological complexes on cosmodromes...

  15. Water Balance Simulations of a PEM Fuel Cell Using a Two-Fluid Model

    DEFF Research Database (Denmark)

    Berning, Torsten; Odgaard, Madeleine; Kær, Søren Knudsen

    2010-01-01

    A previously published computational multi-phase model of a polymer-electrolyte membrane fuel cell has been extended in order to account for the anode side and the electrolyte membrane. The model has been applied to study the water balance of a fuel cell during operation under various humidificat......A previously published computational multi-phase model of a polymer-electrolyte membrane fuel cell has been extended in order to account for the anode side and the electrolyte membrane. The model has been applied to study the water balance of a fuel cell during operation under various...... humidification conditions. It was found that the specific surface area of the electrolyte in the catalyst layers close to the membrane is of critical importance for the overall water balance. Applying a high specific electrolyte surface area close to the membrane (a water-uptake layer) always leads to a lower...

  16. Rate Theory Modeling and Simulations of Silicide Fuel at LWR Conditions

    Energy Technology Data Exchange (ETDEWEB)

    Miao, Yinbin [Argonne National Lab. (ANL), Argonne, IL (United States); Ye, Bei [Argonne National Lab. (ANL), Argonne, IL (United States); Mei, Zhigang [Argonne National Lab. (ANL), Argonne, IL (United States); Hofman, Gerard [Argonne National Lab. (ANL), Argonne, IL (United States); Yacout, Abdellatif [Argonne National Lab. (ANL), Argonne, IL (United States)

    2015-12-10

    Uranium silicide (U3Si2) fuel has higher thermal conductivity and higher uranium density, making it a promising candidate for the accident-tolerant fuel (ATF) used in light water reactors (LWRs). However, previous studies on the fuel performance of U3Si2, including both experimental and computational approaches, have been focusing on the irradiation conditions in research reactors, which usually involve low operation temperatures and high fuel burnups. Thus, it is important to examine the fuel performance of U3Si2 at typical LWR conditions so as to evaluate the feasibility of replacing conventional uranium dioxide fuel with this silicide fuel material. As in-reactor irradiation experiments involve significant time and financial cost, it is appropriate to utilize modeling tools to estimate the behavior of U3Si2 in LWRs based on all those available research reactor experimental references and state-of-the-art density functional theory (DFT) calculation capabilities at the early development stage. Hence, in this report, a comprehensive investigation of the fission gas swelling behavior of U3Si2 at LWR conditions is introduced. The modeling efforts mentioned in this report was based on the rate theory (RT) model of fission gas bubble evolution that has been successfully applied for a variety of fuel materials at devious reactor conditions. Both existing experimental data and DFT-calculated results were used for the optimization of the parameters adopted by the RT model. Meanwhile, the fuel-cladding interaction was captured by the coupling of the RT model with simplified mechanical correlations. Therefore, the swelling behavior of U3Si2 fuel and its consequent interaction with cladding in LWRs was predicted by the rate theory modeling, providing valuable information for the development of U3Si2 fuel as an accident

  17. Simulation of alpha dose for predicting radiolytic species at the surface of spent nuclear fuel pellets

    OpenAIRE

    Becker Frank; Kienzler Bernhard

    2014-01-01

    In many countries, spent nuclear fuel is considered as a waste form to be disposed of in underground disposal. Under deep host rock conditions, a reducing environment prevails. In the case of water contact, long-term radionuclide release from the fuel depends on dissolution processes of the UO2 matrix. The dissolution rate of irradiated UO2 is controlled by oxidizing processes facilitated by dissolved species formed by alpharadiolysis of water in contact with spent nuc...

  18. V. S. O. P. ('94) Computer Code System for Reactor Physics and Fuel Cycle Simulation

    OpenAIRE

    Teuchert, E.; Haas, K. A.; Rütten, H. J.; Brockmann, Hans; Gerwin, Helmut; Ohlig, U.; Scherer, Winfried

    1994-01-01

    V. S. O. P. ('Very Superior Old Programs) is a system of codes lurked together for the simulationof reactor life histories and temporary in-depth research. In comprises neutron cross sectionlibraries and processing routines, repeated neutron spectrum evaluation, 2-D diffusion calculationwith depletion and shut-down features, in-core and out-of--pile fuel management, fuel cyclecost analysis, and thermal hydraulics (at present restricted to 's). Various techniques havebeen employed to accelerat...

  19. The modeling and simulation of thermal based modified solid oxide fuel cell (SOFC for grid-connected systems

    Directory of Open Access Journals (Sweden)

    Ayetül Gelen

    2015-05-01

    Full Text Available This paper presents a thermal based modified dynamic model of a Solid Oxide Fuel Cell (SOFC for grid-connected systems. The proposed fuel cell model involves ohmic, activation and concentration voltage losses, thermal dynamics, methanol reformer, fuel utilization factor and power limiting module. A power conditioning unit (PCU, which consists of a DC-DC boost converter and a DC-AC voltage-source inverter (VSI, their controller, transformer and filter, is designed for grid-connected systems. The voltage-source inverter with six Insulated Gate Bipolar Transistor (IGBT switches inverts the DC voltage that comes from the converter into a sinusoidal voltage synchronized with the grid. The simulations and modeling of the system are developed on Matlab/Simulink environment. The performance of SOFC with converter is examined under step and random load conditions. The simulation results show that the designed boost converter for the proposed thermal based modified SOFC model has fairly followed different DC load variations. Finally, the AC bus of 400 Volt and 50 Hz is connected to a single-machine infinite bus (SMIB through a transmission line. The real and reactive power managements of the inverter are analyzed by an infinite bus system. Thus, the desired nominal values are properly obtained by means of the inverter controller.

  20. Science based integrated approach to advanced nuclear fuel development - integrated multi-scale multi-physics hierarchical modeling and simulation framework Part III: cladding

    Energy Technology Data Exchange (ETDEWEB)

    Tome, Carlos N [Los Alamos National Laboratory; Caro, J A [Los Alamos National Laboratory; Lebensohn, R A [Los Alamos National Laboratory; Unal, Cetin [Los Alamos National Laboratory; Arsenlis, A [LLNL; Marian, J [LLNL; Pasamehmetoglu, K [INL

    2010-01-01

    Advancing the performance of Light Water Reactors, Advanced Nuclear Fuel Cycles, and Advanced Reactors, such as the Next Generation Nuclear Power Plants, requires enhancing our fundamental understanding of fuel and materials behavior under irradiation. The capability to accurately model the nuclear fuel systems to develop predictive tools is critical. Not only are fabrication and performance models needed to understand specific aspects of the nuclear fuel, fully coupled fuel simulation codes are required to achieve licensing of specific nuclear fuel designs for operation. The backbone of these codes, models, and simulations is a fundamental understanding and predictive capability for simulating the phase and microstructural behavior of the nuclear fuel system materials and matrices. In this paper we review the current status of the advanced modeling and simulation of nuclear reactor cladding, with emphasis on what is available and what is to be developed in each scale of the project, how we propose to pass information from one scale to the next, and what experimental information is required for benchmarking and advancing the modeling at each scale level.

  1. 流光电晕放电净化粗燃气焦油及粉尘研究进展%An Overview of Tar and Dust Removal from Biomass-Derived Syngas by Streamer Corona Discharges

    Institute of Scientific and Technical Information of China (English)

    谢建军; 徐彬; 阴秀丽; 吴创之; 闫克平

    2016-01-01

    A high-efficiency method of tar and dust removal from fuel gas is of great significance to the development of biomass gasification. Streamer corona discharges, which can not only effectively crack the heavy organics to light molecules in raw syngas in reaction with O, H, OH radicals but also charge and separate the dust from the raw syngas with pulsed coronas, is a promising method for raw syngas cleaning. In this paper the status of tar and dust removal by streamer corona discharges were reviewed; issues on mechanism of tar cracking and dust abatement,current situation, key scientific and technical problems of the tar and dust removal from the biomass-derived syngas were analyzed. A conceptual design of an electrocyclone plasma reactor for simultaneous tar and dust removal was proposed. Finally, for the purpose of solving the problems of raw syngas cleaning during biomass gasification, several key research areas were briefly addressed.%研究焦油及粉尘的高效净化方法对推动生物质气化技术的发展具有重要意义。流光电晕放电过程产生的O、H、OH 等活性自由基可有效裂解燃气中的焦油类有机物分子,在直流基压上叠加窄脉冲电压则可实现粉尘的荷电及高效气-固分离,是一种较有应用前景的粗燃气净化方法。笔者对流光电晕放电净化粗燃气焦油及粉尘的技术进展进行了综述,分析了该过程的裂解焦油/除尘机理、研究现状及关键科学问题,并提出了一种基于电旋风等离子体反应器的焦油及粉尘同时净化方法。最后针对生物质气化粗燃气净化过程中的瓶颈问题,简要归纳了其研究重点。

  2. Corrigendum to "Coupled thermochemical, isotopic evolution and heat transfer simulations in highly irradiated UO2 nuclear fuel"

    Science.gov (United States)

    Piro, M. H. A.; Banfield, J.; Clarno, K.; Simunovic, S.; Besmann, T. M.; Lewis, B. J.; Thompson, W. T.

    2016-09-01

    Figs. 7-9 in "Coupled thermochemical, isotopic evolution and heat transfer simulations in highly irradiated UO2 nuclear fuel" [1] have a consistent error corresponding to the relative proportions of iodine. Reported concentrations of iodine in the original manuscript are approximately ten times higher than expected, and are comparable in atomic proportions to cesium. One would expect that the amount of cesium would be about one order of magnitude greater than iodine based on the difference in fission yields of 235U and 239Pu. A practical consequence of this error would affect the predicted quantity and chemical composition of iodine on the fuel surface, which is related to iodine-induced stress corrosion cracking [2].

  3. Response of selected plant and insect species to simulated SRM exhaust mixtures and to exhaust components from SRM fuels

    Science.gov (United States)

    Heck, W. W.

    1980-01-01

    The possible biologic effects of exhaust products from solid rocket motor (SRM) burns associated with the space shuttle are examined. The major components of the exhaust that might have an adverse effect on vegetation, HCl and Al2O3 are studied. Dose response curves for native and cultivated plants and selected insects exposed to simulated exhaust and component chemicals from SRM exhaust are presented. A system for dispensing and monitoring component chemicals of SRM exhaust (HCl and Al2O3) and a system for exposing test plants to simulated SRM exhaust (controlled fuel burns) are described. The effects of HCl, Al2O3, and mixtures of the two on the honeybee, the corn earworm, and the common lacewing and the effects of simulated exhaust on the honeybee are discussed.

  4. Modelling and simulation of a dual-clutch transmission vehicle to analyse the effect of pump selection on fuel economy

    Science.gov (United States)

    Ahlawat, R.; Fathy, H. K.; Lee, B.; Stein, J. L.; Jung, D.

    2010-07-01

    Positive displacement pumps are used in automotive transmissions to provide pressurised fluid to various hydraulic components in the transmission and also lubricate the mechanical components. The output flow of these pumps increases with pump/transmission speed, almost linearly, but the transmission flow requirements often saturate at higher speeds, resulting in excess flow capacity that must be wasted by allowing it to drain back to the sump. This represents a parasitic loss in the transmission leading to a loss in fuel economy. To overcome this issue, variable displacement pumps have been used in the transmission, where the output flow can be reduced by controlling the displacement of the pump. The use of these pumps in automatic transmissions has resulted in better fuel economy as compared with some types of fixed displacement pumps. However, the literature does not fully explore the benefits of variable displacement pumps to a specific type of transmission namely, dual-clutch transmission (DCT), which has different pressure and flow requirements from an epicyclic gear train. This paper presents an analysis of the effect of pump selection on fuel economy in a five-speed DCT of a commercial vehicle. Models of the engine, transmission, and vehicle are developed along with the models of two different types of pumps: a fixed displacement gerotor pump and a variable displacement vane pump. The models are then parameterised using experimental data, and the fuel economy of the vehicle is simulated on a standard driving cycle. The results suggest that the fuel economy benefit obtained by the use of the variable displacement pump in DCTs is comparable to the benefit previously shown for these pumps in automatic transmissions.

  5. Recent developments in the production of liquid fuels via catalytic conversion of microalgae: experiments and simulations

    Energy Technology Data Exchange (ETDEWEB)

    Shi, Fan; Wang, Pin; Duan, Yuhua; Link, Dirk; Morreale, Bryan

    2012-01-01

    Due to continuing high demand, depletion of non-renewable resources and increasing concerns about climate change, the use of fossil fuel-derived transportation fuels faces relentless challenges both from a world markets and an environmental perspective. The production of renewable transportation fuel from microalgae continues to attract much attention because of its potential for fast growth rates, high oil content, ability to grow in unconventional scenarios, and inherent carbon neutrality. Moreover, the use of microalgae would minimize ‘‘food versus fuel’’ concerns associated with several biomass strategies, as microalgae do not compete with food crops in the food chain. This paper reviews the progress of recent research on the production of transportation fuels via homogeneous and heterogeneous catalytic conversions of microalgae. This review also describes the development of tools that may allow for a more fundamental understanding of catalyst selection and conversion processes using computational modelling. The catalytic conversion reaction pathways that have been investigated are fully discussed based on both experimental and theoretical approaches. Finally, this work makes several projections for the potential of various thermocatalytic pathways to produce alternative transportation fuels from algae, and identifies key areas where the authors feel that computational modelling should be directed to elucidate key information to optimize the process.

  6. Rocket-Plume Spectroscopy Simulation for Hydrocarbon-Fueled Rocket Engines

    Science.gov (United States)

    Tejwani, Gopal D.

    2010-01-01

    The UV-Vis spectroscopic system for plume diagnostics monitors rocket engine health by using several analytical tools developed at Stennis Space Center (SSC), including the rocket plume spectroscopy simulation code (RPSSC), to identify and quantify the alloys from the metallic elements observed in engine plumes. Because the hydrocarbon-fueled rocket engine is likely to contain C2, CO, CH, CN, and NO in addition to OH and H2O, the relevant electronic bands of these molecules in the spectral range of 300 to 850 nm in the RPSSC have been included. SSC incorporated several enhancements and modifications to the original line-by-line spectral simulation computer program implemented for plume spectral data analysis and quantification in 1994. These changes made the program applicable to the Space Shuttle Main Engine (SSME) and the Diagnostic Testbed Facility Thruster (DTFT) exhaust plume spectral data. Modifications included updating the molecular and spectral parameters for OH, adding spectral parameter input files optimized for the 10 elements of interest in the spectral range from 320 to 430 nm and linking the output to graphing and analysis packages. Additionally, the ability to handle the non-uniform wavelength interval at which the spectral computations are made was added. This allowed a precise superposition of wavelengths at which the spectral measurements have been made with the wavelengths at which the spectral computations are done by using the line-by-line (LBL) code. To account for hydrocarbon combustion products in the plume, which might interfere with detection and quantification of metallic elements in the spectral region of 300 to 850 nm, the spectroscopic code has been enhanced to include the carbon-based combustion species of C2, CO, and CH. In addition, CN and NO have spectral bands in 300 to 850 nm and, while these molecules are not direct products of hydrocarbon-oxygen combustion systems, they can show up if nitrogen or a nitrogen compound is present

  7. COMBUSTION SIMULATION IN A SPARK IGNITION ENGINE CYLINDER: EFFECTS OF AIR-FUEL RATIO ON THE COMBUSTION DURATION

    Directory of Open Access Journals (Sweden)

    Nureddin Dinler

    2010-01-01

    Full Text Available Combustion is an important subject of internal combustion engine studies. To reduce the air pollution from internal combustion engines and to increase the engine performance, it is required to increase combustion efficiency. In this study, effects of air/fuel ratio were investigated numerically. An axisymmetrical internal combustion engine was modeled in order to simulate in-cylinder engine flow and combustion. Two dimensional transient continuity, momentum, turbulence, energy, and combustion equations were solved. The k-e turbulence model was employed. The fuel mass fraction transport equation was used for modeling of the combustion. For this purpose a computational fluid dynamics code was developed by using the finite volume method with FORTRAN programming code. The moving mesh was utilized to simulate the piston motion. The developed code simulates four strokes of engine continuously. In the case of laminar flow combustion, Arrhenius type combustion equations were employed. In the case of turbulent flow combustion, eddy break-up model was employed. Results were given for rich, stoichiometric, and lean mixtures in contour graphs. Contour graphs showed that lean mixture (l = 1.1 has longer combustion duration.

  8. Toward Verifying Fossil Fuel CO2 Emissions with the CMAQ Model: Motivation, Model Description and Initial Simulation

    Energy Technology Data Exchange (ETDEWEB)

    Liu, Zhen; Bambha, Ray P.; Pinto, Joseph P.; Zeng, Tao; Boylan, Jim; Huang, Maoyi; Lei, Huimin; Zhao, Chun; Liu, Shishi; Mao, Jiafu; Schwalm, Christopher R.; Shi, Xiaoying; Wei, Yaxing; Michelsen, Hope A.

    2014-03-14

    Motivated by the urgent need for emission verification of CO2 and other greenhouse gases, we have developed regional CO2 simulation with CMAQ over the contiguous U.S. Model sensitivity experiments have been performed using three different sets of inputs for net ecosystem exchange (NEE) and two fossil fuel emission inventories, to understand the roles of fossil fuel emissions, atmosphere-biosphere exchange and transport in regulating the spatial and diurnal variability of CO2 near the surface, and to characterize the well-known ‘signal-to-noise’ problem, i.e. the interference from the biosphere on the interpretation of atmospheric CO2 observations. It is found that differences in the meteorological conditions for different urban areas strongly contribute to the contrast in concentrations. The uncertainty of NEE, as measured by the difference among the three different NEE inputs, has notable impact on regional distribution of CO2 simulated by CMAQ. Larger NEE uncertainty and impact are found over eastern U.S. urban areas than along the western coast. A comparison with tower CO2 measurements at Boulder Atmospheric Observatory (BAO) shows that the CMAQ model using hourly varied and high-resolution CO2 emission from the Vulcan inventory and CarbonTracker optimized NEE reasonably reproduce the observed diurnal profile, whereas switching to different NEE inputs significantly degrades the model performance. Spatial distribution of CO2 is found to correlate with NOx, SO2 and CO, due to their similarity in emission sources and transport processes. These initial results from CMAQ demonstrate the power of a state-of-the art CTM in helping interpret CO2 observations and verify fossil fuel emissions. The ability to simulate CO2 in CMAQ will also facilitate investigations of the utility of traditionally regulated pollutants and other species as tracers to CO2 source attribution.

  9. Toward verifying fossil fuel CO2 emissions with the CMAQ model: motivation, model description and initial simulation.

    Science.gov (United States)

    Liu, Zhen; Bambha, Ray P; Pinto, Joseph P; Zeng, Tao; Boylan, Jim; Huang, Maoyi; Lei, Huimin; Zhao, Chun; Liu, Shishi; Mao, Jiafu; Schwalm, Christopher R; Shi, Xiaoying; Wei, Yaxing; Michelsen, Hope A

    2014-04-01

    Motivated by the question of whether and how a state-of-the-art regional chemical transport model (CTM) can facilitate characterization of CO2 spatiotemporal variability and verify CO2 fossil-fuel emissions, we for the first time applied the Community Multiscale Air Quality (CMAQ) model to simulate CO2. This paper presents methods, input data, and initial results for CO2 simulation using CMAQ over the contiguous United States in October 2007. Modeling experiments have been performed to understand the roles of fossil-fuel emissions, biosphere-atmosphere exchange, and meteorology in regulating the spatial distribution of CO2 near the surface over the contiguous United States. Three sets of net ecosystem exchange (NEE) fluxes were used as input to assess the impact of uncertainty of NEE on CO2 concentrations simulated by CMAQ. Observational data from six tall tower sites across the country were used to evaluate model performance. In particular, at the Boulder Atmospheric Observatory (BAO), a tall tower site that receives urban emissions from Denver CO, the CMAQ model using hourly varying, high-resolution CO2 fossil-fuel emissions from the Vulcan inventory and Carbon Tracker optimized NEE reproduced the observed diurnal profile of CO2 reasonably well but with a low bias in the early morning. The spatial distribution of CO2 was found to correlate with NO(x), SO2, and CO, because of their similar fossil-fuel emission sources and common transport processes. These initial results from CMAQ demonstrate the potential of using a regional CTM to help interpret CO2 observations and understand CO2 variability in space and time. The ability to simulate a full suite of air pollutants in CMAQ will also facilitate investigations of their use as tracers for CO2 source attribution. This work serves as a proof of concept and the foundation for more comprehensive examinations of CO2 spatiotemporal variability and various uncertainties in the future. Atmospheric CO2 has long been modeled

  10. Multiphase Simulations and Design of Validation Experiments for Proton Exchange Membrane Fuel Cells

    DEFF Research Database (Denmark)

    Berning, Torsten

    2013-01-01

    Proton exchange membrane fuel cells directly convert into electricity the chemical energy of hydrogen and oxygen from air. The by-products are just water and waste heat. Depending on the operating conditions the water may be in the liquid or gas phase, and liquid water can hence plug the porous m...

  11. Analyzing hydrotreated renewable jet fuel (HRJ) feedstock availability using crop simulation modeling

    Science.gov (United States)

    While hydrotreated renewable jet fuel (HRJ) has been demonstrated for use in commercial and military aviation, a challenge to large-scale adoption is availability of cost competitive feedstocks. Brassica oilseed crops like Brassica napus, B. rapa, B. juncea, B. carinata, Sinapis alba, and Camelina s...

  12. Nuclear Energy Advanced Modeling and Simulation (NEAMS) Accident Tolerant Fuels High Impact Problem: Coordinate Multiscale FeCrAl Modeling

    Energy Technology Data Exchange (ETDEWEB)

    Gamble, K. A. [Idaho National Lab. (INL), Idaho Falls, ID (United States); Hales, J. D. [Idaho National Lab. (INL), Idaho Falls, ID (United States); Zhang, Y. [Idaho National Lab. (INL), Idaho Falls, ID (United States); Andersson, D. [Los Alamos National Lab. (LANL), Los Alamos, NM (United States); Capolungo, L. [Los Alamos National Lab. (LANL), Los Alamos, NM (United States); Wirth, B. D. [Univ. of Tennessee, Knoxville, TN (United States)

    2017-07-26

    Since the events at the Fukushima-Daiichi nuclear power plant in March 2011 significant research has unfolded at national laboratories, universities and other institutions into alternative materials that have potential enhanced ac- cident tolerance when compared to traditional UO2 fuel zircaloy clad fuel rods. One of the potential replacement claddings are iron-chromium-alunimum (FeCrAl) alloys due to their increased oxidation resistance [1–4] and higher strength [1, 2]. While the oxidation characteristics of FeCrAl are a benefit for accident tolerance, the thermal neu- tron absorption cross section of FeCrAl is about ten times that of Zircaloy. This neutronic penalty necessitates thinner cladding. This allows for slightly larger pellets to give the same cold gap width in the rod. However, the slight increase in pellet diameter is not sufficient to compensate for the neutronic penalty and enriching the fuel beyond the current 5% limit appears to be necessary [5]. Current estimates indicate that this neutronic penalty will impose an increase in fuel cost of 15-35% [1, 2]. In addition to the neutronic disadvantage, it is anticipated that tritium release to the coolant will be larger because the permeability of hydrogen in FeCrAl is about 100 times higher than in Zircaloy [6]. Also, radiation-induced hardening and embrittlement of FeCrAl need to be fully characterized experimentally [7]. Due to the aggressive development schedule for inserting some of the potential materials into lead test assemblies or rods by 2022 [8] multiscale multiphysics modeling approaches have been used to provide insight into these the use of FeCrAl as a cladding material. The purpose of this letter report is to highlight the multiscale modeling effort for iron-chromium-alunimum (FeCrAl) cladding alloys as part of the Nuclear Energy Advanced Modeling and Simulation (NEAMS) program through its Accident Tolerant Fuel (ATF) High Impact Problem (HIP). The approach taken throughout the HIP is to

  13. Effects of Boron and Graphite Uncertainty in Fuel for TREAT Simulations

    Energy Technology Data Exchange (ETDEWEB)

    Vaughn, Kyle; Mausolff, Zander; Gonzalez, Esteban; DeHart, Mark; Goluoglu, Sedat

    2017-03-01

    Advanced modeling techniques and current computational capacity make full core TREAT simulations possible, with the goal of such simulations to understand the pre-test core and minimize the number of required calibrations. But, in order to simulate TREAT with a high degree of precision the reactor materials and geometry must also be modeled with a high degree of precision. This paper examines how uncertainty in the reported values of boron and graphite have an effect on simulations of TREAT.

  14. Engineering the Pores of Biomass-Derived Carbon: Insights for Achieving Ultrahigh Stability at High Power in High-Energy Supercapacitors.

    Science.gov (United States)

    Thangavel, Ranjith; Kaliyappan, Karthikeyan; Ramasamy, Hari Vignesh; Sun, Xueliang; Lee, Yun-Sung

    2017-07-10

    Electrochemical supercapacitors with high energy density are promising devices due to their simple construction and long-term cycling performance. The development of a supercapacitor based on electrical double-layer charge storage with high energy density that can preserve its cyclability at higher power presents an ongoing challenge. Herein, we provide insights to achieve a high energy density at high power with an ultrahigh stability in an electrical double-layer capacitor (EDLC) system by using carbon from a biomass precursor (cinnamon sticks) in a sodium ion-based organic electrolyte. Herein, we investigated the dependence of EDLC performance on structural, textural, and functional properties of porous carbon engineered by using various activation agents. The results demonstrate that the performance of EDLCs is not only dependent on their textural properties but also on their structural features and surface functionalities, as is evident from the electrochemical studies. The electrochemical results are highly promising and revealed that the porous carbon with poor textural properties has great potential to deliver high capacitance and outstanding stability over 300 000 cycles compared with porous carbon with good textural properties. A very low capacitance degradation of around 0.066 % per 1000 cycles, along with high energy density (≈71 Wh kg(-1) ) and high power density, have been achieved. These results offer a new platform for the application of low-surface-area biomass-derived carbons in the design of highly stable high-energy supercapacitors. © 2017 Wiley-VCH Verlag GmbH & Co. KGaA, Weinheim.

  15. Numerical Simulation of a Polymer electrolyte Fuel Cell; Simulacion Numerica de una Pila de combustible de Membrana Polimerica

    Energy Technology Data Exchange (ETDEWEB)

    San Fabian, D.; Naud, B.

    2005-07-01

    This document reproduces the final project of David San Fabian Ayuso, presented on May 26, 2005, for the obtention of the engineer degree of the Carlos III University of Madrid. A single-phase, isothermal model, including both electron and proton transport, is introduced for the simulation of polymer electrolyte fuel cells (PEM). The model is implemented in the commercial code Fluent 6.0, through the use of UDFs (User Defined Functions). In order to validate the model, a single canal of a PEM monocell is simulated in three dimensions. The obtained result are qualitatively satisfactory. It is observed that it is not essential to solve the current collectors when a monocell is considered (and not a stack). in the present study, the number of nodes is the computational grid appears to be too low in the membrane zone in order to make a complete validation of the model. (Author) 20 refs.

  16. Thermal Analysis of Surrogate Simulated Molten Salts with Metal Chloride Impurities for Electrorefining Used Nuclear Fuel

    Energy Technology Data Exchange (ETDEWEB)

    Toni Y. Gutknecht; Guy L. Fredrickson; Vivek Utgikar

    2012-04-01

    This project is a fundamental study to measure thermal properties (liquidus, solidus, phase transformation, and enthalpy) of molten salt systems of interest to electrorefining operations, which are used in both the fuel cycle research & development mission and the spent fuel treatment mission of the Department of Energy. During electrorefining operations the electrolyte accumulates elements more active than uranium (transuranics, fission products and bond sodium). The accumulation needs to be closely monitored because the thermal properties of the electrolyte will change as the concentration of the impurities increases. During electrorefining (processing techniques used at the Idaho National Laboratory to separate uranium from spent nuclear fuel) it is important for the electrolyte to remain in a homogeneous liquid phase for operational safeguard and criticality reasons. The phase stability of molten salts in an electrorefiner may be adversely affected by the buildup of fission products in the electrolyte. Potential situations that need to be avoided are: (i) build up of fissile elements in the salt approaching the criticality limits specified for the vessel (ii) freezing of the salts due to change in the liquidus temperature and (iii) phase separation (non-homogenous solution) of elements. The stability (and homogeneity) of the phases can potentially be monitored through the thermal characterization of the salts, which can be a function of impurity concentration. This work describes the experimental results of typical salts compositions, consisting of chlorides of strontium, samarium, praseodymium, lanthanum, barium, cerium, cesium, neodymium, sodium and gadolinium (as a surrogate for both uranium and plutonium), used in the processing of used nuclear fuels. Differential scanning calorimetry was used to analyze numerous salt samples providing results on the thermal properties. The property of most interest to pyroprocessing is the liquidus temperature. It was

  17. Performance simulation and analysis of a fuel cell/battery hybrid forklift truck

    DEFF Research Database (Denmark)

    Hosseinzadeh, Elham; Rokni, Masoud; Advani, Suresh G.

    2013-01-01

    The performance of a forklift truck powered by a hybrid system consisting of a PEM fuel cell and a lead acid battery is modeled and investigated by conducting a parametric study. Various combinations of fuel cell size and battery capacity are employed in conjunction with two distinct control...... strategies to study their effect on hydrogen consumption and battery state-of-charge for two drive cycles characterized by different operating speeds and forklift loads. The results show that for all case studies, the combination of a 110 cell stack with two strings of 55 Ah batteries is the most economical...... choice for the hybrid system based on system size and hydrogen consumption. In addition, it is observed that hydrogen consumption decreases by about 24% when the maximum speed of the drive cycle is decreased from 4.5 to 3 m/s. Similarly, by decreasing the forklift load from 2.5 to 1.5 ton, the hydrogen...

  18. The role of advanced calculation and simulation tools in the evolution of fuel; El papel de las herramientas avanzadas de calculo y simulacion en la evolucion del combustible

    Energy Technology Data Exchange (ETDEWEB)

    Munoz-Reja, C.; Cerracin, A.; Corpa, R.

    2015-07-01

    This article is focused on the role of the advanced calculation/simulation tools on the development of the fuel designs as well as in the assessment of the effect of the changes in the operation. With this purpose, the article describes and shows some examples of the use by ENUSA of some of these tools in the fuel engineering. To conclude, the future on the evolution of the advanced tools is also presented. (Author)

  19. Quantitative analysis of irreversibilities causes voltage drop in fuel cell (simulation and modeling)

    Energy Technology Data Exchange (ETDEWEB)

    Ghadamian, Hossein [Azad Univ., Dept. of Energy Engineering, Tehran (Iran); Saboohi, Yadolah [Sharif Energy Research Inst. (SERI), Tehran (Iran)

    2004-11-30

    Power level of a fuel cell depends on its operating condition, which is product of voltage and current-density the highest level of voltage is identified as reversible open circuit voltage (ROCV), which represents an ideal theoretical case [J. Larmin, A. Dicks, Fuel Cell System Explained, Wiley, 2000 (ISBN)]. Compared to that is ideal operating voltage which is usually characterized as open circuit voltage (OCV). An evaluation of deviation of operating voltage level from ideal operational case may provide information on the extent of improving efficiency and energy efficiency of a fuel cell. Therefore, quantification of operation deviation from OCV is the main point that is discussed in the present paper. The analysis procedure of voltage drop is based on step-by-step review of voltage drops over activation, internal currents (fuel-cross-over), Ohmic and mass-transport or concentration losses. Accumulated total voltage drops would be estimated as a sum of aforementioned losses. The accumulated voltage drops will then be reduced from OCV to obtain the operating voltage level. The above numerical analysis has been applied to identify the extents of voltage drop. The possible reducing variables in voltage drops reviewed and concluded that the activation loss has considerable impact on total voltage drops and it explains the most part of total losses. It is also found that the following correspondence parameters cause decrease in voltage drops: 1. Temperature increasing; 2. Pressure increasing; 3. Hydrogen or oxygen concentration increasing; 4. Electrode effective surface increasing; 5. Electrode and electrolyte, conductivity modification; 6. Electrolyte thickness reducing up to possible limitation; 7. Connection modification. (Author)

  20. Experimental and simulation studies of combustion of blended fuel oil for use in industrial gas turbines

    Energy Technology Data Exchange (ETDEWEB)

    Hussain, A.; Ani, F.N. [Teknologi Malaysia Univ., Johor (Malaysia). Faculty of Mechanical Engineering; Mamat, Z.A.; Zardi, Z. [TNB Research, Selangor (Malaysia); Aziz, A. [Prai Power Station, Penang (Malaysia)

    2006-07-01

    This paper described a preliminary investigation of the combustion properties of palm olein distillate blended with diesel in a combustion chamber. The aim of the study was to examine the efficacy of the fuel for use in industrial gas turbines with an unmodified gas system. Experiments were conducted for 100 per cent diesel and blends of diesel with 20, 40, and 50 per cent palm olein distillate. Combustion firing experiments were also conducted for 100 per cent palm olein distillates. Results of the study demonstrated that nitroge oxide (NO{sub x}) emissions ranged from between 30 and 55 ppm. Computational fluid dynamics (CFD) modelling was conducted in order to compare the performance of the various blends. Results showed that flow and temperature contours for fuels with lower palm olein percentages had a more uniform combustion process due to a higher rate of fuel vaporization. It was concluded that palm olein distillate blends of more than 40 per cent are not recommended, as the soot particles of higher blends cause damage to turbine casings. 6 refs., 2 tabs., 10 figs.

  1. PEM fuel cell fault detection and identification using differential method: simulation and experimental validation

    Science.gov (United States)

    Frappé, E.; de Bernardinis, A.; Bethoux, O.; Candusso, D.; Harel, F.; Marchand, C.; Coquery, G.

    2011-05-01

    PEM fuel cell performance and lifetime strongly depend on the polymer membrane and MEA hydration. As the internal moisture is very sensitive to the operating conditions (temperature, stoichiometry, load current, water management…), keeping the optimal working point is complex and requires real-time monitoring. This article focuses on PEM fuel cell stack health diagnosis and more precisely on stack fault detection monitoring. This paper intends to define new, simple and effective methods to get relevant information on usual faults or malfunctions occurring in the fuel cell stack. For this purpose, the authors present a fault detection method using simple and non-intrusive on-line technique based on the space signature of the cell voltages. The authors have the objective to minimize the number of embedded sensors and instrumentation in order to get a precise, reliable and economic solution in a mass market application. A very low number of sensors are indeed needed for this monitoring and the associated algorithm can be implemented on-line. This technique is validated on a 20-cell PEMFC stack. It demonstrates that the developed method is particularly efficient in flooding case. As a matter of fact, it uses directly the stack as a sensor which enables to get a quick feedback on its state of health.

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

    Energy Technology Data Exchange (ETDEWEB)

    Choi, YongMan; Liu, Meilin [Center for Innovative Fuel Cell and Battery Technologies, School of Materials Science and Engineering, Georgia Institute of Technology, 771 Ferst Drive, N.W., Atlanta, GA 30332 (United States); Lin, M.C. [Department of Chemistry, Emory University, 1515 Dickey Drive, Atlanta, GA 30322 (United States); Center for Interdisciplinary Molecular Science, National Chiao Tung University, Hsinchu 30010 (China)

    2010-03-01

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

  3. Experimental and numerical investigations of three-dimensional turbulent flow of water surrounding a CANDU simulation fuel bundle structure inside a channel

    Energy Technology Data Exchange (ETDEWEB)

    Abbasian, F.; Yu, S.D. [Department of Mechanical and Industrial Engineering, Ryerson University, 350 Victoria Street, Toronto, Ontario, M5B 2K3 (Canada); Cao, J. [Department of Mechanical and Industrial Engineering, Ryerson University, 350 Victoria Street, Toronto, Ontario, M5B 2K3 (Canada)], E-mail: jcao@ryerson.ca

    2009-11-15

    Computational fluid dynamics (CFD) is used to simulate highly turbulent coolant flows surrounding a simulation CANDU fuel bundle structure inside a flow channel. Three CFD methods are used: large eddy simulation (LES), detached eddy simulation (DES), and Reynolds stress model (RSM). The outcome of the simulations is compared with the experimental pressure data measured using an in-water microphone and a miniature pressure transducer placed at various locations in the vicinity of the bundle structure. Among all the three methods employed in developing computational models, LES provides the most accurate results for turbulent pressures.

  4. A Simulator for a Hydrocarbon Ramrocket Fuel Gas Generator - First Phase Development

    Science.gov (United States)

    1989-05-01

    Australian Airlines, Library Qantas Airways Limited Gas & Fuel Corporation of Vic., Manager Scientific Services SEC of Vic., Herman Research Laboratory...EXHAUST SAMPLING AND ANALYSIS 8 7.1 Solid Products 9 7.1.1 Probe System 9 7.1.2 Wet Filtering 9 7.1.3 Dry Filtering 10 7.2 Gaseous Products 10 7.2.1 Gas...Sampling System 10 7.2.2 Gas Chromatography 11 8. OBSERVATIONS OF TEST HARDWARE PERFORMANCE 11 9. RESULTS AND DISCUSSION 13 9.1 Analysis of Zaccardi

  5. A multi-fluid model to simulate heat and mass transfer in a PEM fuel cell

    DEFF Research Database (Denmark)

    Berning, Torsten; Odgaard, Madeleine; Kær, Søren Knudsen

    2011-01-01

    This article summarizes a multi-phase model of a polymer electrolyte membrane fuel cell based on the formerly commercial CFD code CFX-4. It is three-dimensional in nature and includes multiphase heat and mass transfer in porous media. An overview is given and some numerical issues are discussed...... heat and mass transfer properties are superior. Another important aspect of this study is the wetting status of the electrolyte menbrane and the effective drag of water through the menbrane, which indicates what fraction of the product water created at the cathode side diffuses through the membrane...

  6. Design and Development of the Simulation System for Marine LNG Fuel Reliquefaction

    Science.gov (United States)

    Li, Boyang; Zhang, Yunqiu; Liu, Yunxin; Li, Diyang

    This paper introduced the background of LNG powered ship reliquefaction plant and its working principle, established the calculation model of simulation system, taking the VLCC ship LNG powered ship as the mother ship, provided the thermodynamic calculation flow chart, developed the software for the operation simulation system and the developed the assessment system and the equipment management system. This software can simulate the operation process and carry out the numerical calculation. It is good for the purpose of training students and has great reference value for research.

  7. CO2 capture from simulated fuel gas mixtures using semiclathrate hydrates formed by quaternary ammonium salts.

    Science.gov (United States)

    Park, Sungwon; Lee, Seungmin; Lee, Youngjun; Seo, Yongwon

    2013-07-02

    In order to investigate the feasibility of semiclathrate hydrate-based precombustion CO2 capture, thermodynamic, kinetic, and spectroscopic studies were undertaken on the semiclathrate hydrates formed from a fuel gas mixture of H2 (60%) + CO2 (40%) in the presence of quaternary ammonium salts (QASs) such as tetra-n-butylammonium bromide (TBAB) and fluoride (TBAF). The inclusion of QASs demonstrated significantly stabilized hydrate dissociation conditions. This effect was greater for TBAF than TBAB. However, due to the presence of dodecahedral cages that are partially filled with water molecules, TBAF showed a relatively lower gas uptake than TBAB. From the stability condition measurements and compositional analyses, it was found that with only one step of semiclathrate hydrate formation with the fuel gas mixture from the IGCC plants, 95% CO2 can be enriched in the semiclathrate hydrate phase at room temperature. The enclathration of both CO2 and H2 in the cages of the QAS semiclathrate hydrates and the structural transition that results from the inclusion of QASs were confirmed through Raman and (1)H NMR measurements. The experimental results obtained in this study provide the physicochemical background required for understanding selective partitioning and distributions of guest gases in the QAS semiclathrate hydrates and for investigating the feasibility of a semiclathrate hydrate-based precombustion CO2 capture process.

  8. Fuel flexible fuel injector

    Science.gov (United States)

    Tuthill, Richard S; Davis, Dustin W; Dai, Zhongtao

    2015-02-03

    A disclosed fuel injector provides mixing of fuel with airflow by surrounding a swirled fuel flow with first and second swirled airflows that ensures mixing prior to or upon entering the combustion chamber. Fuel tubes produce a central fuel flow along with a central airflow through a plurality of openings to generate the high velocity fuel/air mixture along the axis of the fuel injector in addition to the swirled fuel/air mixture.

  9. Analysis of simulation results of damaged nuclear fuel accidents at NPPs with shell-type nuclear reactors

    Directory of Open Access Journals (Sweden)

    Igor L. Kozlov

    2015-03-01

    Full Text Available Lessons from the accident at the Fukushima Daiichi NPP made it necessary to reevaluate and intensificate the work on modeling and analyzing various scenarios of severe accidents with damage to the nuclear fuel in the reactor, containment and spent nuclear fuel storage pool with the expansion of the primary initiating event causes group listing. Further development of computational tools for modeling the explosion prevention criteria as to steam and gas mixtures, considering the specific thermal-hydrodynamic conditions and mechanisms of explosive situations arrival at different stages of a severe accident development, is substantiated. Based on the analysis of the known shell-type nuclear reactors accidents results the explosion safety thermodynamic criteria are presented, the parameters defining the steam and gas explosions conditions are found, the need to perform the further verification and validation of deterministic codes serving to simulate general accident processes behavior as well as phase-to-phase interaction calculated dependencies is established. The main parameters controlling and defining the criteria explosion safety effective regulation areas and their optimization conditions are found.

  10. Numerical simulation of a 200 kW down draft gasifier using acai seed (Euterpe oleracea mart.) as fuel

    Energy Technology Data Exchange (ETDEWEB)

    Itai, Y.; Rocha, H.M.Z. [Universidade Federal do Para (UFPA), Belem, PA (Brazil). Faculdade de Engenharia Mecanica]. E-mails: yuuitai@ufpa.br; hendrick@ufpa.br; Brasil, A.M. [Universidade Federal do Para (UFPA), Belem, PA (Brazil). Faculdade de Engenharia Sanitaria e Ambiental]. E-mail: ambrasil@ufpa.br; Malico, I. [Universidade de Evora (Portugal)]. E-mail: imbm@uevora.pt

    2008-07-01

    In this work a thermochemical equilibrium model for downdraft gasifiers has been proposed. The model was compared to the model developed in Gordon and McBride (1994). The properties such as efficiency of cold gas, LHV and temperature of an Amazonian biomass Euterpe olearacea Mart. was simulated. The numerical simulations aimed the maximization of H{sub 2} and CH{sub 4} in a gasification process. The model simulated numerically the influence of the gasifying relative fuel/air ratio and the biomass moisture content on the syngas composition. Two values of moisture content 33% and 37.5% were suggested for the gasification of acai seed for the maximization of the H{sub 2} and CH{sub 4} concentrations in a range of the equivalence ratio, {phi}, between 2.3 and 4. The results also showed that to achieve the maximization of CH{sub 4} with {phi} = 4 the reaction temperature drops in average of 35.44%. (author)

  11. Thermal aging stability of infiltrated solid oxide fuel cell electrode microstructures: A three-dimensional kinetic Monte Carlo simulation

    Science.gov (United States)

    Zhang, Yanxiang; Ni, Meng; Yan, Mufu; Chen, Fanglin

    2015-12-01

    Nanostructured electrodes are widely used for low temperature solid oxide fuel cells, due to their remarkably high activity. However, the industrial applications of the infiltrated electrodes are hindered by the durability issues, such as the microstructure stability against thermal aging. Few strategies are available to overcome this challenge due to the limited knowledge about the coarsening kinetics of the infiltrated electrodes and how the potentially important factors affect the stability. In this work, the generic thermal aging kinetics of the three-dimensional microstructures of the infiltrate electrodes is investigated by a kinetic Monte Carlo simulation model considering surface diffusion mechanism. Effects of temperature, infiltration loading, wettability, and electrode configuration are studied and the key geometric parameters are calculated such as the infiltrate particle size, the total and percolated quantities of three-phase boundary length and infiltrate surface area, and the tortuosity factor of infiltrate network. Through parametric study, several strategies to improve the thermal aging stability are proposed.

  12. Ni coarsening in the three-phase solid oxide fuel cell anode - a phase-field simulation study

    CERN Document Server

    Chen, Hsun-Yi; Cronin, J Scott; Wilson, James R; Barnett, Scott A; Thornton, Katsuyo

    2012-01-01

    Ni coarsening in Ni-yttria stabilized zirconia (YSZ) solid oxide fuel cell anodes is considered a major reason for anode degradation. We present a predictive, quantative modeling framework based on the phase-field approach to systematically examine coarsening kinetics in such anodes. The initial structures for simulations are experimentally acquired functional layers of anodes. Sample size effects and error analysis of contact angles are examined. Three phase boundary (TPB) lengths and Ni surface areas are quantatively identified on the basis of the active, dead-end, and isolated phase clusters throughout coarsening. Tortuosity evolution of the pores is also investigated. We find that phase clusters with larger characteristic length evolve slower than those with smaller length scales. As a result, coarsening has small positive effects on transport, and impacts less on the active Ni surface area than the total counter part. TPBs, however, are found to be sensitive to local morphological features and are only i...

  13. Modeling, Control, and Simulation of a Solar Hydrogen/Fuel Cell Hybrid Energy System for Grid-Connected Applications

    Directory of Open Access Journals (Sweden)

    Tourkia Lajnef

    2013-01-01

    Full Text Available Different energy sources and converters need to be integrated with each other for extended usage of alternative energy, in order to meet sustained load demands during various weather conditions. The objective of this paper is to associate photovoltaic generators, fuel cells, and electrolysers. Here, to sustain the power demand and solve the energy storage problem, electrical energy can be stored in the form of hydrogen. By using an electrolyser, hydrogen can be generated and stored for future use. The hydrogen produced by the electrolyser using PV power is used in the FC system and acts as an energy buffer. Thus, the effects of reduction and even the absence of the available power from the PV system can be easily tackled. Modeling and simulations are performed using MATLAB/Simulink and SimPowerSystems packages and results are presented to verify the effectiveness of the proposed system.

  14. Electricity Production Through Treatment of Simulated Wastewater of Food Industries Using Dual Chamber Microbial Fuel Cell (MFC with Nafions Membrane

    Directory of Open Access Journals (Sweden)

    N Jaafarzadeh

    2012-03-01

    Full Text Available Background and Objectives: Microbial fuel cells are the electrochemical exchangers that convert the microbial reduced power, generated via the metabolism of organic substrate, to electrical energy. The aim of this study is to find out the rate of produced electricity and also treatment rate of simulated wastewater of food industries using dual chamber microbial fuel cell (MFC without mediator and catalyst. Materials and Methods: MFC used in this study was consisted of two compartments including anaerobic anode chamber containing simulated food industries wastewater as synthetic substrate and aerobic cathode chamber containing phosphate buffer, respectively. These two chambers were separated by proton exchange membrane made of Nafion. Produced voltage and current intensity were measured using a digital ohm meter and the amount of electricity was calculated by Ohms law. Effluent from the anode compartment was tested for COD, BOD5, NH3, P, TSS, VSS, SO42- and alkalinity in accordance with the Standard Methods. Results: In this study, maximum current intensity and power production at anode surface in the OLR of 0.79 Kg/m3.d were measured as 1.71 mA and 140 mW/m2, respectively. The maximum voltage of 0.422 V was obtained in the OLR of 0.36 Kg/m3.d. The greatest columbic efficiency of the system was 15% in the OLR of 0.18 Kg/m3.d. Maximum removal efficiency of COD, BOD5, NH3, P, TSS, VSS, SO42- and alkalinity, were obtained 78, 72, 66, 7, 56, 49, 26 and 40%, respectively.Conclusion: The findings showed that the MFC can be used as a new technology to produce electricity from renewable organic materials and for the treatment of different municipal and industrial wastewaters such as food industries.

  15. Angra-1 reactor core simulation with reduced diameter fuel rods; Simulacao do nucleo de Angra-1 com combustiveis de menor diametro de vareta

    Energy Technology Data Exchange (ETDEWEB)

    Sadde, Luciano M; Faria, Eduardo F.; Sakai, Massao; Gomes, Sydney da S. [Industrias Nucleares do Brasil SA, Resende, RJ (Brazil)

    2000-07-01

    From the neutronic point of view, it is advantageous to use fuel elements with narrower rod diameter at Angra-1 PWR, since the reactivity level increases, and that happens mainly for higher enrichments than the ones used up to now. This fact is due to the higher moderator/fuel ratio, leading to a stronger neutron thermalization. In order to quantify this effect, the nodal core MEDIUM/SAV90 has been employed to simulate Angra-1 cycles from the present until the equilibrium cycle. The actual fuel element design has been maintained in this report, with exception of fuel rods diameter, reduced to 9 mm. Results have shown a higher reactivity and final burnup for the reduced diameter fuel rods, producing less waste for final disposal. However, the combined effect of higher elements reactivity and burnup made difficult the cycle-by-cycle fuel reload optimization. Preliminary results show possible advantages of using reduced diameter fuel rods in reload schemes type 'stop and go', but not being recommendable for extended cycles. (author)

  16. Residual Fuel Expulsion from a Simulated 50,000 Pound Thrust Liquid-Propellant Rocket Engine Having a Continuous Rocket-Type Igniter

    Science.gov (United States)

    Messing, Wesley E.

    1959-01-01

    Tests have been conducted to determine the starting characteristics of a 50,000-pound-thrust rocket engine with the conditions of a quantity of fuel lying dormant in the simulated main thrust chamber. Ignition was provided by a smaller rocket firing rearwardly along the center line. Both alcohol-water and anhydrous ammonia were used as the residual fuel. The igniter successfully expelled the maximum amount of residual fuel (3 1/2 gal) in 2.9 seconds when the igniter.was equipped with a sonic discharge nozzle operating at propellant flow rates of 3 pounds per second. Lesser amounts of residual fuel required correspondingly lower expulsion times. When the igniter was equipped with a supersonic exhaust nozzle operating at a flow of 4 pounds per second, a slightly less effective expulsion rate was encountered.

  17. Scale formation on Ni-based alloys in simulated solid oxide fuel cell interconnect environments

    Energy Technology Data Exchange (ETDEWEB)

    Ziomek-Moroz, Margaret; Cramer, Stephen D.; Holcomb, Gordon R.; Covino, Bernard S., Jr.; Bullard, Sophie J.; Singh, P. (PNNL); Windisch, C.F. (PNNL); Johnson, C.D. (NETL); Schaeffer, C. (National Energy Research Laboratory, Morgantown, WV)

    2004-11-01

    Recent publications suggest that the environment on the fuel side of the bi-polar stainless steel SOFC interconnects changes the oxidation behavior and morphology of the scale formed on the air side. The U.S. Department of Energy Albany Research Center (ARC), has examined the role of such exposure conditions on advanced nickel base alloys. Alloy formulations developed at ARC and commercial alloys were studied using X-ray diffraction (XRD) and Raman spectroscopy. The electrical property of oxide scales formed on selected alloys was determined in terms of areaspecific resistance (ASR). The corrosion behavior of ARC nickel-based alloys exposed to a dual environment of air/ H2 were compared to those of Crofer 22APU and Haynes 230.

  18. SOLID OXIDE FUEL CELL MANUFACTURING COST MODEL: SIMULATING RELATIONSHIPS BETWEEN PERFORMANCE, MANUFACTURING, AND COST OF PRODUCTION

    Energy Technology Data Exchange (ETDEWEB)

    Eric J. Carlson; Yong Yang; Chandler Fulton

    2004-04-20

    The successful commercialization of fuel cells will depend on the achievement of competitive system costs and efficiencies. System cost directly impacts the capital equipment component of cost of electricity (COE) and is a major contributor to the O and M component. The replacement costs for equipment (also heavily influenced by stack life) is generally a major contributor to O and M costs. In this project, they worked with the SECA industrial teams to estimate the impact of general manufacturing issues of interest on stack cost using an activities-based cost model for anode-supported planar SOFC stacks with metallic interconnects. An earlier model developed for NETL for anode supported planar SOFCs was enhanced by a linkage to a performance/thermal/mechanical model, by addition of Quality Control steps to the process flow with specific characterization methods, and by assessment of economies of scale. The 3-dimensional adiabatic performance model was used to calculate the average power density for the assumed geometry and operating conditions (i.e., inlet and exhaust temperatures, utilization, and fuel composition) based on publicly available polarizations curves. The SECA team provided guidance on what manufacturing and design issues should be assessed in this Phase I demonstration of cost modeling capabilities. They considered the impact of the following parameters on yield and cost: layer thickness (i.e., anode, electrolyte, and cathode) on cost and stress levels, statistical nature of ceramic material failure on yield, and Quality Control steps and strategies. In this demonstration of the capabilities of the linked model, only the active stack (i.e., anode, electrolyte, and cathode) and interconnect materials were included in the analysis. Factory costs are presented on an area and kilowatt basis to allow developers to extrapolate to their level of performance, stack design, materials, seal and system configurations, and internal corporate overheads and margin

  19. The effect of H2S on the performance of Ni-YSZ anodes in solid oxide fuel cells

    DEFF Research Database (Denmark)

    Rasmussen, Jens Foldager Bregnballe; Hagen, Anke

    2009-01-01

    Biomass-derived fuel, e.g. biogas, is a potential fuel for solid oxide fuel cells (SOFCs). At operating temperature (850 °C) reforming of the carbon-containing biogas takes place over the Ni-containing anode. However, impurities in the biogas, e.g. H2S, can poison both the reforming...... the polarization resistance increased when adding H2S. These changes in resistance were found to happen at 1212 Hz, which is related to reactions at the anode–electrolyte interface. These findings can be used to identify S-related effects on the performance, when an SOFC is fuelled with biogas or other fuels...

  20. Simulation and Optimization Analysis of Tank Fuel Filling%某乘用车燃油加注过程优化分析

    Institute of Scientific and Technical Information of China (English)

    刘洋; 刘志鹏; 何金平; 秦昊; 张昆

    2016-01-01

    The structure of fuel-filling pipe was very important for the smoothness in the fuel filling process,a bad design of oil-filling pipe could cause fuel spilling or injector shut-off.Simulation of fuel-filling base on one vehicle was performed using the CFD software in this paper.The fuel and gas distribution of filling pipe is obtained in this simulation.According the result,then,the design of fuel-filling pipe was improved,the smoothness was better,and decrease fuel spilling risk,providing a basis for optimization design of a fuel-tank system.%汽车的燃油加注管的结构决定了燃油加注过程的顺畅性,设计结构不好的燃油加注管容易引起反喷或提前“跳枪”现象。文章运用CFD软件对某一乘用车燃油加注过程进行模拟分析,获得了不同时刻加注管内油气分布的状态。根据分析结果对加注管结构进行优化,使加注过程更加顺畅,降低了跳枪和反喷的风险,为燃油系统优化设计提供了参考。

  1. Validation of pore network simulations of ex-situ water distributions in a gas diffusion layer of proton exchange membrane fuel cells with X-ray tomographic images

    Science.gov (United States)

    Agaesse, Tristan; Lamibrac, Adrien; Büchi, Felix N.; Pauchet, Joel; Prat, Marc

    2016-11-01

    Understanding and modeling two-phase flows in the gas diffusion layer (GDL) of proton exchange membrane fuel cells are important in order to improve fuel cells performance. They are scientifically challenging because of the peculiarities of GDLs microstructures. In the present work, simulations on a pore network model are compared to X-ray tomographic images of water distributions during an ex-situ water invasion experiment. A method based on watershed segmentation was developed to extract a pore network from the 3D segmented image of the dry GDL. Pore network modeling and a full morphology model were then used to perform two-phase simulations and compared to the experimental data. The results show good agreement between experimental and simulated microscopic water distributions. Pore network extraction parameters were also benchmarked using the experimental data and results from full morphology simulations.

  2. The Development of Models to Optimize Selection of Nuclear Fuels through Atomic-Level Simulation

    Energy Technology Data Exchange (ETDEWEB)

    Prof. Simon Phillpot; Prof. Susan B. Sinnott; Prof. Hans Seifert; Prog. James Tulenko

    2009-01-26

    Demonstrated that FRAPCON can be modified to accept data generated from first principles studies, and that the result obtained from the modified FRAPCON make sense in terms of the inputs. Determined the temperature dependence of the thermal conductivity of single crystal UO2 from atomistic simulation.

  3. Numerical Simulations of Flow and Fuel Regression Rate Coupling in Hybrid Rocket Motors

    Directory of Open Access Journals (Sweden)

    Marius STOIA-DJESKA

    2017-03-01

    Full Text Available The hybrid propulsion offers some remarkable advantages like high safety and high specific impulse and thus it is considered a promising technology for the next generation launchers and space systems. The purpose of this work is to validate a design tool for hybrid rocket motors (HRM through numerical simulations.

  4. Molecular dynamics simulations of ternary PtxPdyAuz fuel cell nanocatalyst growth

    DEFF Research Database (Denmark)

    Brault, P.; Coutanceau, C.; C. Jennings, Paul

    2016-01-01

    Molecular dynamics simulation of PEMFC cathodes based on ternary Pt70Pd15Au15 and Pt50Pd25Au25 nanocatalysts dispersed on carbon indicate systematic Au segregation from the particle bulk to the surface, leading to an Au layer coating the cluster surface and to the spontaneous formation of a Pt...

  5. Simulation with GOTHIC of experiments Oxidation of fuel in Air; Simulacion con GOTHIC de Experimentos de Oxidacion de Combustible en Aire

    Energy Technology Data Exchange (ETDEWEB)

    Martinez-Murillo Mendez, J. C.

    2012-07-01

    In the present work has been addressed for the first time la simulation with the GOTHIC code, experiments oxidation and ignition of SFP in phase 1. This work represents a solid starting point for analysis of specific degradation of fuel in the pools of our facilities.

  6. Modeling and simulation of NiO dissolution and Ni deposition in molten carbonate fuel cells

    Energy Technology Data Exchange (ETDEWEB)

    Nam, Suk Woo; Choi, Hyung-Joon; Lim, Tae Hoon [Korea Institute of Science & Technology, Seoul (Korea, Republic of)] [and others

    1996-12-31

    Dissolution of NiO cathode into the electrolyte matrix is an important phenomena limiting the lifetime of molten carbonate fuel cell (MCFC). The dissolved nickel diffuses into the matrix and is reduced by dissolved hydrogen leading to the formation of metallic nickel films in the pores of the matrix. The growth of Ni films in the electrolyte matrix during the continuous cell operation results eventually in shorting between cathode and anode. Various mathematical and empirical models have been developed to describe the NiO dissolution and Ni deposition processes, and these models have some success in estimating the lifetime of MCFC by correlating the amount of Ni deposited in the matrix with shorting time. Since the exact mechanism of Ni deposition was not well understood, deposition reaction was assumed to be very fast in most of the models and the Ni deposition region was limited around a point in the matrix. In fact, formation of Ni films takes place in a rather broad region in the matrix, the location and thickness of the film depending on operating conditions as well as matrix properties. In this study, we assumed simple reaction kinetics for Ni deposition and developed a mathematical model to get the distribution of nickel in the matrix.

  7. Thermal expansion of simulated thoria-urania fuel by high temperature XRD

    Science.gov (United States)

    Bhagat, R. K.; Krishnan, K.; Kutty, T. R. G.; Kumar, Arun; Kamath, H. S.; Banerjee, S.

    2012-03-01

    The thermal expansion behavior of polycrystalline samples of ThO2-3.45% UO2 and SIMFUEL corresponding to burn-up of 43,000 MWd/Te has been investigated from room temperature to 1473 K, and for SIMFUEL corresponding to burn-up of 28,000 MWd/Te has been investigated from room temperature to 1173 K, using a high temperature X-ray diffraction (HTXRD). Linear and volumetric thermal expansion data like, percentage thermal expansion, average or mean coefficient of thermal expansion (CTE) was generated using the lattice parameters. It is observed that SIMFUEL has a lower lattice parameter compared to ThO2-3.45% UO2 and this is attributed to the dissolution of the rare earths and part of the Zr and Ce in fuel matrix. Also SIMFUEL has slightly higher thermal expansion than ThO2-3.45% UO2 and this is related to the lower melting point of SIMFUEL.

  8. Thermal expansion of simulated thoria-urania fuel by high temperature XRD

    Energy Technology Data Exchange (ETDEWEB)

    Bhagat, R.K. [Radiometallurgy Division, Bhabha Atomic Research Centre, Trombay, Mumbai 400 085 (India); Krishnan, K. [Fuel Chemistry Division, Bhabha Atomic Research Centre, Trombay, Mumbai 400 085 (India); Kutty, T.R.G., E-mail: tkutty@barc.gov.in [Radiometallurgy Division, Bhabha Atomic Research Centre, Trombay, Mumbai 400 085 (India); Kumar, Arun [Radiometallurgy Division, Bhabha Atomic Research Centre, Trombay, Mumbai 400 085 (India); Kamath, H.S. [Nuclear Fuels Group, Bhabha Atomic Research Centre, Trombay, Mumbai 400 085 (India); Banerjee, S. [Department of Atomic Energy, Anushakti Bhavan, Mumbai 400 001 (India)

    2012-03-15

    The thermal expansion behavior of polycrystalline samples of ThO{sub 2}-3.45% UO{sub 2} and SIMFUEL corresponding to burn-up of 43,000 MWd/Te has been investigated from room temperature to 1473 K, and for SIMFUEL corresponding to burn-up of 28,000 MWd/Te has been investigated from room temperature to 1173 K, using a high temperature X-ray diffraction (HTXRD). Linear and volumetric thermal expansion data like, percentage thermal expansion, average or mean coefficient of thermal expansion (CTE) was generated using the lattice parameters. It is observed that SIMFUEL has a lower lattice parameter compared to ThO{sub 2}-3.45% UO{sub 2} and this is attributed to the dissolution of the rare earths and part of the Zr and Ce in fuel matrix. Also SIMFUEL has slightly higher thermal expansion than ThO{sub 2}-3.45% UO{sub 2} and this is related to the lower melting point of SIMFUEL.

  9. Experimental study and numerical simulation of gas-particle flows with radial bias combustion and centrally fuel rich swirl burners

    Institute of Scientific and Technical Information of China (English)

    LI Zheng-qi; ZHOU Jue; CHEN Zhi-chao; SUN Rui; QIN Yu-kun

    2008-01-01

    Numerical simulation is applied to gas-particle flows of the primary and the secondary air ducts and burner region, and of two kinds of swirl burners. The modeling results of Radial Bias Combustion (RBC) burn-er well agreed with the data from the three-dimensional Phase-Doppler anemometry (PDA) experiment by Li, et al. The modeling test conducted in a 1025 t/h boiler was to study the quality of aerodynamics for a Central Fuel Rich (CFR) burner, and the Internal Recirculation Zone (IRZ) was measured. In addition, gas-particle flows with a CFR burner were investigated by numerical simulation, whose results accorded with the test data funda-mentally. By analyzing the distribution of gas velocity and trajectories of particles respectively, it is found that the primary air's rigidity of CFR burner is stronger than that of RBC burner, and the primary air mixes with the secondary air later. Furthermore, high concentration region of pulverized coal exists in the burner's central zone whose atmosphere is reduced, and trajectories of particles in IRZ of CFR burner are longer than that of RBC burner. They are favorable to coal's ignition and the reduction of NOx emission.

  10. Chromium poisoning in (La,Sr)MnO3 cathode: Three-dimensional simulation of a solid oxide fuel cell

    Science.gov (United States)

    Miyoshi, Kota; Iwai, Hiroshi; Kishimoto, Masashi; Saito, Motohiro; Yoshida, Hideo

    2016-09-01

    A three-dimensional numerical model of a single solid oxide fuel cell (SOFC) considering chromium poisoning on the cathode side has been developed to investigate the evolution of the SOFC performance over long-term operation. The degradation model applied in the simulation describes the loss of the cathode electrochemical activity as a decrease in the active triple-phase boundary (TPB) length. The calculations are conducted for two types of cell: lanthanum