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Sample records for hydrocarbon combustion chemistry

  1. Theoretical studies of hydrocarbon combustion chemistry. Annual progress report

    Energy Technology Data Exchange (ETDEWEB)

    Schaefer, H.F. III

    1994-08-01

    The author reports here the results of DZP CISD calculations for methylcarbene. Geometry, symmetry, and vibrational modes for the radical are reported for both the singlet and the triplet state. Future work will focus on the ethyl radical-oxygen interaction relevant to hydrocarbon combustion.

  2. A simple one-step chemistry model for partially premixed hydrocarbon combustion

    Energy Technology Data Exchange (ETDEWEB)

    Fernandez-Tarrazo, Eduardo [Instituto Nacional de Tecnica Aeroespacial, Madrid (Spain); Sanchez, Antonio L. [Area de Mecanica de Fluidos, Universidad Carlos III de Madrid, Leganes 28911 (Spain); Linan, Amable [ETSI Aeronauticos, Pl. Cardenal Cisneros 3, Madrid 28040 (Spain); Williams, Forman A. [Department of Mechanical and Aerospace Engineering, University of California San Diego, La Jolla, CA 92093-0411 (United States)

    2006-10-15

    This work explores the applicability of one-step irreversible Arrhenius kinetics with unity reaction order to the numerical description of partially premixed hydrocarbon combustion. Computations of planar premixed flames are used in the selection of the three model parameters: the heat of reaction q, the activation temperature T{sub a}, and the preexponential factor B. It is seen that changes in q with equivalence ratio f need to be introduced in fuel-rich combustion to describe the effect of partial fuel oxidation on the amount of heat released, leading to a universal linear variation q(f) for f>1 for all hydrocarbons. The model also employs a variable activation temperature T{sub a}(f) to mimic changes in the underlying chemistry in rich and very lean flames. The resulting chemistry description is able to reproduce propagation velocities of diluted and undiluted flames accurately over the whole flammability limit. Furthermore, computations of methane-air counterflow diffusion flames are used to test the proposed chemistry under nonpremixed conditions. The model not only predicts the critical strain rate at extinction accurately but also gives near-extinction flames with oxygen leakage, thereby overcoming known predictive limitations of one-step Arrhenius kinetics. (author)

  3. Combustion chemistry

    Energy Technology Data Exchange (ETDEWEB)

    Brown, N.J. [Lawrence Berkeley Laboratory, CA (United States)

    1993-12-01

    This research is concerned with the development and use of sensitivity analysis tools to probe the response of dependent variables to model input variables. Sensitivity analysis is important at all levels of combustion modeling. This group`s research continues to be focused on elucidating the interrelationship between features in the underlying potential energy surface (obtained from ab initio quantum chemistry calculations) and their responses in the quantum dynamics, e.g., reactive transition probabilities, cross sections, and thermal rate coefficients. The goals of this research are: (i) to provide feedback information to quantum chemists in their potential surface refinement efforts, and (ii) to gain a better understanding of how various regions in the potential influence the dynamics. These investigations are carried out with the methodology of quantum functional sensitivity analysis (QFSA).

  4. Alcohol combustion chemistry

    KAUST Repository

    Sarathy, Mani

    2014-10-01

    Alternative transportation fuels, preferably from renewable sources, include alcohols with up to five or even more carbon atoms. They are considered promising because they can be derived from biological matter via established and new processes. In addition, many of their physical-chemical properties are compatible with the requirements of modern engines, which make them attractive either as replacements for fossil fuels or as fuel additives. Indeed, alcohol fuels have been used since the early years of automobile production, particularly in Brazil, where ethanol has a long history of use as an automobile fuel. Recently, increasing attention has been paid to the use of non-petroleum-based fuels made from biological sources, including alcohols (predominantly ethanol), as important liquid biofuels. Today, the ethanol fuel that is offered in the market is mainly made from sugar cane or corn. Its production as a first-generation biofuel, especially in North America, has been associated with publicly discussed drawbacks, such as reduction in the food supply, need for fertilization, extensive water usage, and other ecological concerns. More environmentally friendly processes are being considered to produce alcohols from inedible plants or plant parts on wasteland. While biofuel production and its use (especially ethanol and biodiesel) in internal combustion engines have been the focus of several recent reviews, a dedicated overview and summary of research on alcohol combustion chemistry is still lacking. Besides ethanol, many linear and branched members of the alcohol family, from methanol to hexanols, have been studied, with a particular emphasis on butanols. These fuels and their combustion properties, including their ignition, flame propagation, and extinction characteristics, their pyrolysis and oxidation reactions, and their potential to produce pollutant emissions have been intensively investigated in dedicated experiments on the laboratory and the engine scale

  5. Hydrocarbon radical thermochemistry: Gas-phase ion chemistry techniques

    Energy Technology Data Exchange (ETDEWEB)

    Ervin, Kent M. [Univ. of Nevada, Reno, NV (United States)

    2014-03-21

    Final Scientific/Technical Report for the project "Hydrocarbon Radical Thermochemistry: Gas-Phase Ion Chemistry Techniques." The objective of this project is to exploit gas-phase ion chemistry techniques for determination of thermochemical values for neutral hydrocarbon radicals of importance in combustion kinetics.

  6. Modelling of turbulent hydrocarbon combustion. Test of different reactor concepts for describing the interactions between turbulence and chemistry

    Energy Technology Data Exchange (ETDEWEB)

    Mueller, C.; Kremer, H. [Ruhr-Universitaet Bochum, Lehrstuhl fuer Energieanlagentechnik, Bochum (Germany); Kilpinen, P.; Hupa, M. [Aabo Akademi, Turku (Finland). Combustion Chemistry Research Group

    1997-12-31

    The detailed modelling of turbulent reactive flows with CFD-codes is a major challenge in combustion science. One method of combining highly developed turbulence models and detailed chemistry in CFD-codes is the application of reactor based turbulence chemistry interaction models. In this work the influence of different reactor concepts on methane and NO{sub x} chemistry in turbulent reactive flows was investigated. Besides the classical reactor approaches, a plug flow reactor (PFR) and a perfectly stirred reactor (PSR), the Eddy-Dissipation Combustion Model (EDX) and the Eddy Dissipation Concept (EDC) were included. Based on a detailed reaction scheme and a simplified 2-step mechanism studies were performed in a simplified computational grid consisting of 5 cells. The investigations cover a temperature range from 1273 K to 1673 K and consider fuel-rich and fuel-lean gas mixtures as well as turbulent and highly turbulent flow conditions. All test cases investigated in this study showed a strong influence of the reactor residence time on the species conversion processes. Due to this characteristic strong deviations were found for the species trends resulting from the different reactor approaches. However, this influence was only concentrated on the `near burner region` and after 4-5 cells hardly any deviation and residence time dependence could be found. The importance of the residence time dependence increased when the species conversion was accelerated as it is the case for overstoichiometric combustion conditions and increased temperatures. The study focused furthermore on the fine structure in the EDC. Unlike the classical approach this part of the cell was modelled as a PFR instead of a PSR. For high temperature conditions there was hardly any difference between both reactor types. However, decreasing the temperature led to obvious deviations. Finally, the effect of the selective species transport between the cells on the conversion process was investigated

  7. Sulfur Chemistry in Combustion I

    DEFF Research Database (Denmark)

    Johnsson, Jan Erik; Glarborg, Peter

    2000-01-01

    of the sulphur compounds in fossil fuels and the possibilities to remove them will be given. Then the combustion of sulphur species and their influence on the combustion chemistry and especially on the CO oxidation and the NOx formation will be described. Finally the in-situ removal of sulphur in the combustion...... process by reaction between SO2 and calcium containing sorbents and the influence on the NOx chemistry will be treated....

  8. Determining Heats of Combustion of Gaseous Hydrocarbons

    Science.gov (United States)

    Singh, Jag J.; Sprinkle, Danny R.; Puster, Richard L.

    1987-01-01

    Enrichment-oxygen flow rate-ratio related to heat of combustion. Technique developed for determining heats of combustion of natural-gas samples. Based on measuring ratio m/n, where m is (volmetric) flow rate of oxygen required to enrich carrier air in which test gas flowing at rate n is burned, such that mole fraction of oxygen in combustion-product gases equals that in carrier air. The m/n ratio directly related to heats of combustion of saturated hydrocarbons present in natural gas.

  9. Combustion chemistry of solid propellants

    Science.gov (United States)

    Baer, A. D.; Ryan, N. W.

    1974-01-01

    Several studies are described of the chemistry of solid propellant combustion which employed a fast-scanning optical spectrometer. Expanded abstracts are presented for four of the studies which were previously reported. One study of the ignition of composite propellants yielded data which suggested early ammonium perchlorate decomposition and reaction. The results of a study of the spatial distribution of molecular species in flames from uncatalyzed and copper or lead catalyzed double-based propellants support previously published conclusions concerning the site of action of these metal catalysts. A study of the ammonium-perchlorate-polymeric-fuel-binder reaction in thin films, made by use of infrared absorption spectrometry, yielded a characterization of a rapid condensed-phase reaction which is likely important during the ignition transient and the burning process.

  10. High Pressure Preignition Chemistry of Hydrocarbons and Hydrocarbon Mixtures

    Science.gov (United States)

    2007-11-02

    and hydrocarbon blends in our various combustion systems, with emphasis on the effects of elevated pressure using our pressurized flow reactor ( PFR ...facility. Detailed experimental data were generated from the PFR for use in associated kinetic modeling work. We continued to develop and extend both

  11. Plasma Assisted Combustion Mechanism for Small Hydrocarbons

    Science.gov (United States)

    2015-01-01

    O2 C2H6 C2H4 CH3OH iso‐propane CO2 C3H8 C3H6 C2H5OH neo‐pentane H2O C4H10 CH3OCH3  DME O3 C5H12 Ar H2 N2O PAC  Kinetic  Mechanism  O(-)+N(+)=N+O... Kinetic  Model:  Previous Versions D.V.Zatsepin, S.M.Starikovskaia, A.Yu.Starikovskii Hydrogen oxidation in a  stoichiometric hydrogen‐air mixtures in the... Kinetics  of ignition of saturated hydrocarbons by nonequilibrium plasma: C2H6‐ to C5H12‐containing mixtures. Combustion and Flame 156  (2009) 221–233

  12. Combustion characteristics of thermally stressed hydrocarbon fuels

    Science.gov (United States)

    Curtis, Colin William

    Liquid propelled propulsion systems, which range from rocket systems to hypersonic scramjet and ramjet engines, require active cooling in order to prevent additional payload requirements. In these systems, the liquid fuel is used as a coolant and is delivered through micro-channels that surround the combustion chambers, nozzles, as well as the exterior surfaces in order to extract heat from these affected areas. During this process, heat exchange occurs through phase change, sensible heat extraction, and endothermic reactions experienced by the liquid fuel. Previous research has demonstrated the significant modifications in fuel composition and changes to the fuel's physical properties that can result from these endothermic reactions. As a next step, we are experimentally investigating the effect that endothermic reactions have on fundamental flame behavior for real hydrocarbon fuels that are used as rocket and jet propellants. To achieve this goal, we have developed a counter-flow flame burner to measure extinction limits of the thermally stressed fuels. The counter-flow flame system is to be coupled with a high pressure reactor, capable of subjecting the fuel to 170 atm and 873 K, effectively simulating the extreme environment that cause the liquid fuel to experience endothermic reactions. The fundamental flame properties of the reacted fuels will be compared to those of unreacted fuels, allowing us to determine the role of endothermic reactions on the combustion behavior of current hydrocarbon jet and rocket propellants. To quantify the change in transport properties and chemical kinetics of the reacting mixture, simultaneous numerical simulations of the reactor portion of the experiment coupled with a counterflow flame simulation are performed using n-heptane and n-dodecane.

  13. High Temperature Chemistry of Aromatic Hydrocarbons. Final Technical Report

    Energy Technology Data Exchange (ETDEWEB)

    Scott, Lawrence T. [Boston College, Chestnut Hill, MA (United States). Merkert Chemistry Center, Dept. of Chemistry

    2017-05-15

    The primary goal of this research was to uncover the principal reaction channels available to polycyclic aromatic hydrocarbons (PAHs) at high temperatures in the gas phase and to establish the factors that determine which channels will be followed in varying circumstances. New structure-property relationships for PAHs were also studied. The efficient production of clean energy from fossil fuels will remain a major component of the DOE mission until alternative sources of energy eventually displace coal and petroleum. Hydrocarbons constitute the most basic class of compounds in all of organic chemistry, and as the dominant species in fossil fuels, they figure prominently into the programs of the DOE. Much is already known about the normal chemistry of hydrocarbons under ambient conditions, but far less is known about their intrinsic chemistry at temperatures close to those reached during combustion. An understanding of the fundamental molecular transformations, rearrangements, and interconversions of PAHs at high temperatures in the gas phase, as revealed by careful studies on small, well-designed, molecular systems, provides insights into the underlying chemistry of many important processes that are more complex, such as the generation of energy by the combustion of fossil fuels, the uncatalyzed gasification and liquefaction of coal, the production of fullerenes in fuel-rich flames, and the formation of soot and carcinogenic pollutants in smoke (e.g., benzo[a]pyrene). The rational control of any of these processes, whether it be the optimization of a desirable process or the minimization of an undesirable one, requires a clear knowledge of the basic chemistry that governs the fate of the species involved. Advances in chemistry at the most fundamental level come about primarily from the discovery of new reactions and from new insights into how reactions occur. Harnessing that knowledge is the key to new technologies. The recent commercialization of a combustion

  14. Sulfur Chemistry in Combustion II

    DEFF Research Database (Denmark)

    Johnsson, Jan Erik; Kiil, Søren

    2000-01-01

    Several options are available to control the emission of SO2 from combustion processes. One possibility is to use a cleaner technology, i.e. fuel switching from oil and coal to natural gas or biomass, or to desulphurize coal and oil. Another possibility is to change to a different technology for ...

  15. Radiation Chemistry of Organic Liquids: Saturated Hydrocarbons

    CERN Document Server

    Shkrob, Ilya A; Trifunac, A D

    2004-01-01

    In this review (124 refs), several problems in radiolysis of saturated hydrocarbons are examined. Special attention is paid to the chemistry of radical cations, high-mobility holes, excited state and spur dynamics, magnetic field and spin effects, and optically detected magnetic resonance spectroscopy.

  16. Combustion process for synthesis of carbon nanomaterials from liquid hydrocarbon

    Science.gov (United States)

    Diener, Michael D.; Alford, J. Michael; Nabity, James; Hitch, Bradley D.

    2007-01-02

    The present invention provides a combustion apparatus for the production of carbon nanomaterials including fullerenes and fullerenic soot. Most generally the combustion apparatus comprises one or more inlets for introducing an oxygen-containing gas and a hydrocarbon fuel gas in the combustion system such that a flame can be established from the mixed gases, a droplet delivery apparatus for introducing droplets of a liquid hydrocarbon feedstock into the flame, and a collector apparatus for collecting condensable products containing carbon nanomaterials that are generated in the combustion system. The combustion system optionally has a reaction zone downstream of the flame. If this reaction zone is present the hydrocarbon feedstock can be introduced into the flame, the reaction zone or both.

  17. Combustion chemistry - activities in the CHEK research programme

    Energy Technology Data Exchange (ETDEWEB)

    Dam-Johansen, K.; Johnsson, J.E.; Glarborg, P.; Frandsen, F.; Jensen, A.; Oestberg, M. [Technical Univ. of Denmark, Lyngby (Denmark). Dept. of Chemical Engineering

    1997-10-01

    The combustion chemistry in the oxidation of fossil fuels and biofuels determines together with mixing and heat transfer the required size of a furnace, the emission of gaseous pollutants, and the formation of ash and deposits on surfaces. This presentation describes technologies for solid fuels combustion and gives a summary of the fuels, the pollutant chemistry and the inorganic chemistry in combustion processes. Emphasis is put on the work carried out in the CHEC (Combustion and Harmful Emission Control) Research Programme. (orig.)

  18. Kinetics and Product Channels in Combustion Chemistry

    Energy Technology Data Exchange (ETDEWEB)

    Hershberger, John F. [North Dakota State Univ., Fargo, ND (United States)

    2017-02-28

    We report study of the chemical kinetics and/or photochemistry of several chemical reactions of potential interest in understanding the gas phase combustion chemistry of nitrogen-containing molecules. Studies completed during the final grant period include determination of quantum yields of the photolysis of HCNO, fulminic acid, a kinetics and product channel study of the reaction of CN radicals with methyl bromide, and study of the products of the reaction of hydroxymethyl radical with nitric oxide.

  19. Theory and modeling in combustion chemistry

    Energy Technology Data Exchange (ETDEWEB)

    Miller, J.A.

    1996-10-01

    This paper discusses four important problems in combustion chemistry. In each case, resolution of the problem focuses on a single elementary reaction. Theoretical analysis of this reaction is discussed in some depth, with emphasis on its unusual features. The four combustion problems and their elementary reactions are: (1) Burning velocities, extinction limits, and flammability limits: H+O{sub 2}{leftrightarrow}OH+O, (2) Prompt NO: CH+N{sub 2}{leftrightarrow}HCN+N, (3) the Thermal De-NO{sub x} Process: NH{sub 2}+NO{leftrightarrow}products, and (4) ``Ring`` formation in flames of aliphatic fuels and the importance of resonantly stabilized free radicals: C{sub 3}H{sub 3}{leftrightarrow}products.

  20. Recent applications of synchrotron VUV photoionization mass spectrometry: insight into combustion chemistry.

    Science.gov (United States)

    Li, Yuyang; Qi, Fei

    2010-01-19

    Combustion is one of the earliest developed human technologies and remains our primary source of energy, yet it embodies a complex suite of physical and chemical processes that are inadequately understood. Combustion chemistry involves both chemical thermodynamics and chemical kinetics, and experimental advances mostly depend on the development of combustion diagnostics, which effectively serve as the foundation of theoretical progress. The major objective of combustion diagnostics is to provide comprehensive product identification and concentration information of a flame species, which can be used to develop kinetic models for the simulation of practical combustion. However, conventional combustion diagnostic methods face difficult challenges in distinguishing isomeric species, detecting reactive radicals, obtaining real-time measurements, and so forth. Therefore, for deeper insight into combustion chemistry, a diagnostic method with high detection sensitivity, isomeric selectivity, and radical detectability is required. In this Account, we report recent applications of synchrotron vacuum ultraviolet photoionization mass spectrometry (SVUV-PIMS) in various areas of combustion chemistry research. The wide tunability of synchrotron photon energy can facilitate the selective identification of isomeric intermediates and the near-threshold detection of radicals (thus avoiding fragmentation interference). Moreover, the convenient combination of SVUV-PIMS with various laboratory-based combustion approaches demonstrates its universality in combustion studies. Recent experimental achievements have demonstrated the successful applications of this technique in premixed flames, pyrolysis in flow reactors, coflow diffusion flames, catalytic oxidation, plasma diagnostics, and analysis of polycyclic aromatic hydrocarbons (PAHs) and soot. More applications of SVUV-PIMS are expected in the near future, not only in combustion studies, but also in other research topics of chemistry

  1. Combustion chemistry. Activities in the CHEC research programme

    Energy Technology Data Exchange (ETDEWEB)

    Dam-Johansen, K.; Johnsson, J.E.; Glarborg, P.; Frandsen, F.; Jensen, A.; Oestberg, M. [Technical Univ. of Denmark, Dept. of Chemical Engineering, Lyngby (Denmark)

    1996-12-01

    The combustion chemistry in the oxidation of fossil fuels and biofuels determines together with mixing and heat transfer the required size of a furnace, the emission of gaseous pollutants, and the formation of ash and deposits on surfaces. This paper describes technologies for solid fuels combustion and gives a summary of the fuels, the pollutant chemistry and the inorganic chemistry in combustion processes. Emphasis is put on the work carried out in the CHEC (Combustion and Harmful Emission Control Research Programme). (au) 173 refs.

  2. Chemistry and radiation in oxy-fuel combustion

    DEFF Research Database (Denmark)

    Yin, Chungen; Rosendahl, Lasse; Kær, Søren Knudsen

    2011-01-01

    In order to investigate the role of combustion chemistry and radiation heat transfer in oxy-fuel combustion modeling, a computational fluid dynamics (CFD) modeling study has been performed for two different oxy-fuel furnaces. One is a lab-scale 0.8MW oxy-natural gas flame furnace whose detailed i....... Among the key issues in combustion modeling, e.g., mixing, radiation and chemistry, this paper derives useful guidelines on radiation and chemistry implementation for reliable CFD analyses of oxy-fuel combustion, particularly for industrial applications.......In order to investigate the role of combustion chemistry and radiation heat transfer in oxy-fuel combustion modeling, a computational fluid dynamics (CFD) modeling study has been performed for two different oxy-fuel furnaces. One is a lab-scale 0.8MW oxy-natural gas flame furnace whose detailed in...

  3. Chemical Kinetics of Hydrocarbon Ignition in Practical Combustion Systems

    Energy Technology Data Exchange (ETDEWEB)

    Westbrook, C.K.

    2000-07-07

    Chemical kinetic factors of hydrocarbon oxidation are examined in a variety of ignition problems. Ignition is related to the presence of a dominant chain branching reaction mechanism that can drive a chemical system to completion in a very short period of time. Ignition in laboratory environments is studied for problems including shock tubes and rapid compression machines. Modeling of the laboratory systems are used to develop kinetic models that can be used to analyze ignition in practical systems. Two major chain branching regimes are identified, one consisting of high temperature ignition with a chain branching reaction mechanism based on the reaction between atomic hydrogen with molecular oxygen, and the second based on an intermediate temperature thermal decomposition of hydrogen peroxide. Kinetic models are then used to describe ignition in practical combustion environments, including detonations and pulse combustors for high temperature ignition, and engine knock and diesel ignition for intermediate temperature ignition. The final example of ignition in a practical environment is homogeneous charge, compression ignition (HCCI) which is shown to be a problem dominated by the kinetics intermediate temperature hydrocarbon ignition. Model results show why high hydrocarbon and CO emissions are inevitable in HCCI combustion. The conclusion of this study is that the kinetics of hydrocarbon ignition are actually quite simple, since only one or two elementary reactions are dominant. However, there are many combustion factors that can influence these two major reactions, and these are the features that vary from one practical system to another.

  4. New method for determining heats of combustion of gaseous hydrocarbons

    Science.gov (United States)

    Singh, J. J.; Sprinkle, D. R.; Puster, R. L.

    1985-01-01

    As a spin off of a system developed for monitoring and controlling the oxygen concentration in the Langley 8-foot High Temperature Tunnel, a highly accurate on-line technique was developed for determining heats of combustion of natural gas samples. It is based on measuring the ratio m/n, where m is the (volumetric) flowrate of oxygen required to enrich the carrier air in which the test gas flowing at the rate n is burned, such that the mole fraction of oxygen in the combustion product gases equals that in the carrier air. The m/n ratio is directly related to the heats of combustion of the saturated hydrocarbons present in the natural gas. A measurement of the m/n ratio for the test gas can provide a direct means of determination of its heat of combustion by using the calibration graph relating the m/n values for pure saturated hydrocarbons with their heats of combustion. The accuracy of the technique is determine solely by the accuracy with which the flowrates m and n can be measured and is of the order of 2 percent in the present study. The theoretical principles and experimental results are discussed.

  5. Combustion chemistry and formation of pollutants; Chimie de la combustion et formation des polluants

    Energy Technology Data Exchange (ETDEWEB)

    NONE

    1996-12-31

    This book of proceedings reports on 7 papers on combustion chemistry and formation of pollutants presented during the workshop organized by the `Combustion and Flames` section of the French society of thermal engineers. The chemistry of combustion is analyzed in various situations such as: turbojet engines, spark ignition engines, industrial burners, gas turbines etc... Numerical simulation is used to understand the physico-chemical processes involved in combustion, to describe the kinetics of oxidation, combustion and flame propagation, and to predict the formation of pollutants. (J.S.)

  6. Introduction to Physics and Chemistry of Combustion Explosion, Flame, Detonation

    CERN Document Server

    Liberman, Michael A

    2008-01-01

    Most of the material covered in this book deals with the fundamentals of chemistry and physics of key processes and fundamental mechanisms for various combustion and combustion related phenomena in gaseous combustible mixture. It provides the reader with basic knowledge of burning processes and mechanisms of reaction wave propagation. The combustion of a gas mixture (flame, explosion, detonation) is necessarily accompanied by motion of the gas. The process of combustion is therefore not only a chemical phenomenon but also one of gas dynamics. The material selection focuses on the gas phase and

  7. Gas Phase Sulfur, Chlorine and Potassium Chemistry in Biomass Combustion

    DEFF Research Database (Denmark)

    Løj, Lusi Hindiyarti

    2007-01-01

    conditions. These trace species contained in the biomass structure will be released to the gas phase during combustion and contribute to the problems generated during the process. The investigation during this PhD project is done to stepwise improve the understanding in the chemistry and reduce...... the uncertainties. In the present work, the detailed kinetic model for gas phase sulfur, chlorine, alkali metal, and their interaction has been updated. The K/O/H/Cl chemistry, S chemistry, and their interaction can reasonably predict a range of experimental data. In general, understanding of the interaction......Gas Phase Sulfur, Chlorine and Alkali Metal Chemistry in Biomass Combustion Concern about aerosols formation, deposits, corrosion, and gaseous emissions during biomass combustion, especially straw, continues to be a driving force for investigation on S, Cl, K-containing species under combustions...

  8. Combustion Chemistry Diagnostics for Cleaner Processes.

    Science.gov (United States)

    Kohse-Höinghaus, Katharina

    2016-09-12

    Climate change, environmental problems, urban pollution, and the dependence on fossil fuels demand cleaner, renewable energy strategies. However, they also ask for urgent advances in combustion science to reduce emissions. For alternative fuels and new combustion regimes, crucial information about the chemical reactions from fuel to exhaust remains lacking. Understanding such relations between combustion process, fuel, and emissions needs reliable experimental data from a wide range of conditions to provide a firm basis for predictive modeling of practical combustion processes.

  9. New observational constraints on hydrocarbon chemistry in Saturn's upper atmosphere

    Science.gov (United States)

    Koskinen, Tommi; Moses, Julianne I.; West, Robert; Guerlet, Sandrine; Jouchoux, Alain

    2016-10-01

    Until now there have been only a few observations of hydrocarbons and photochemical haze in the region where they are produced in Saturn's upper atmosphere. We present new results on hydrocarbon abundances and atmospheric structure based on more than 40 stellar occultations observed by the Cassini/UVIS instrument that we have combined with results from Cassini/CIRS to generate full atmosphere structure models. In addition to detecting CH4, C2H2, C2H4 and C2H6, we detect benzene (C6H6) in UVIS occultations that probe different latitudes and present the first vertical abundance profiles for this species in its production region. Benzene is the simplest ring polyaromatic hydrocarbon (PAH) and a stepping stone to the formation of more complex molecules that are believed to form stratospheric haze. Our calculations show that the observed abundances of benzene can be explained by solar-driven ion chemistry that is enhanced by high-latitude auroral production at least in the northern spring hemisphere. Condensation of benzene and heavier hydrocarbons is possible in the cold polar night of the southern winter where we detect evidence for high altitude haze. We also report on substantial variability in the CH4 profiles that arise from dynamics and affects the minor hydrocarbon abundances. Our results demonstrate the importance of hydrocarbon ion chemistry and coupled models of chemistry and dynamics for future studies of Saturn's upper atmosphere.

  10. Final Report - Low Temperature Combustion Chemistry And Fuel Component Interactions

    Energy Technology Data Exchange (ETDEWEB)

    Wooldridge, Margaret [Univ. of Michigan, Ann Arbor, MI (United States)

    2017-02-24

    Recent research into combustion chemistry has shown that reactions at “low temperatures” (700 – 1100 K) have a dramatic influence on ignition and combustion of fuels in virtually every practical combustion system. A powerful class of laboratory-scale experimental facilities that can focus on fuel chemistry in this temperature range is the rapid compression facility (RCF), which has proven to be a versatile tool to examine the details of fuel chemistry in this important regime. An RCF was used in this project to advance our understanding of low temperature chemistry of important fuel compounds. We show how factors including fuel molecular structure, the presence of unsaturated C=C bonds, and the presence of alkyl ester groups influence fuel auto-ignition and produce variable amounts of negative temperature coefficient behavior of fuel ignition. We report new discoveries of synergistic ignition interactions between alkane and alcohol fuels, with both experimental and kinetic modeling studies of these complex interactions. The results of this project quantify the effects of molecular structure on combustion chemistry including carbon bond saturation, through low temperature experimental studies of esters, alkanes, alkenes, and alcohols.

  11. Ash chemistry and behavior in advanced co-combustion

    Energy Technology Data Exchange (ETDEWEB)

    Hupa, M.; Skrifvars, B.J. [Aabo Akademi, Turku (Finland). Combustion Chemistry Research Group

    1997-10-01

    The purpose of this LIEKKI 2 project is to report results achieved within the EU/JOULE/OPTEB project to the Finnish combustion research community through the LIEKKI program. The purpose of the EU/JOULE/OPTEB project is to find prediction methods for evaluating ash behavior, such as slagging, fouling and corrosion propensity, in full scale combustion systems through chemical or mineralogical analyses, intelligent laboratory tests and chemistry calculations. The project focuses on coals, coal mixtures and coal biomass mixtures fired in advanced combustion systems, such as fluidized bed boilers, pulverized fuel boilers with critical steam values etc. The project will make use of (1) advanced multi-component combustion equilibrium calculations, (2) ash sintering tendency laboratory tests and (3) chemical evaluations of slagging, fouling and corrosion measurements in full scale units. (orig.)

  12. On-Line Measurement of Heat of Combustion of Gaseous Hydrocarbon Fuel Mixtures

    Science.gov (United States)

    Sprinkle, Danny R.; Chaturvedi, Sushil K.; Kheireddine, Ali

    1996-01-01

    A method for the on-line measurement of the heat of combustion of gaseous hydrocarbon fuel mixtures has been developed and tested. The method involves combustion of a test gas with a measured quantity of air to achieve a preset concentration of oxygen in the combustion products. This method involves using a controller which maintains the fuel (gas) volumetric flow rate at a level consistent with the desired oxygen concentration in the combustion products. The heat of combustion is determined form a known correlation with the fuel flow rate. An on-line computer accesses the fuel flow data and displays the heat of combustion measurement at desired time intervals. This technique appears to be especially applicable for measuring heats of combustion of hydrocarbon mixtures of unknown composition such as natural gas.

  13. A new comprehensive reaction mechanism for combustion of hydrocarbon fuels

    Energy Technology Data Exchange (ETDEWEB)

    Ranzi, E.; Sogaro, A.; Gaffuri, P.; Pennati, G. [Politecnico di Milano (Italy). Dipt. di Chimica Industriale e Ingegneria Chimica; Westbrook, C.K.; Pitz, W.J. [Lawrence Livermore National Lab., CA (United States)

    1993-12-03

    A chemical kinetic model has been developed which describes pyrolysis, ignition and oxidation of many small hydrocarbon fuels over a wide range of experimental conditions. Fuels include carbon monoxide and hydrogen, methane and other alkane species up to n-butane, ethylene, propene, acetylene, and oxygenated species such as methanol, acetaldehyde and ethanol. Formation of some larger intermediate and product species including benzene, butadiene, large olefins, and cyclopentadiene has been treated in a semi-empirical manner. The reaction mechanism has been tested for conditions that do not involve transport and diffusional processes, including plug flow and stirred reactors, batch reactors and shock tubes. The present kinetic model and its validation differ from previous reaction mechanisms in two ways. First, in addition to conventional combustion data, experiments more commonly associated with chemical engineering problems such as oxidative coupling, oxidative pyrolysis and steam cracking are used to test the reaction mechanism, making it even more general than previous models. In addition, H atom abstraction and some other reaction rates, even for the smaller C{sub 2}, C{sub 3} and C{sub 4} species, are treated using approximations that facilitate future extensions to larger fuels in a convenient manner. Construction of the reaction mechanism and comparisons with experimental data illustrate the generality of the model.

  14. Reduced combustion mechanism for C1-C4 hydrocarbons and its application in computational fluid dynamics flare modeling.

    Science.gov (United States)

    Damodara, Vijaya; Chen, Daniel H; Lou, Helen H; Rasel, Kader M A; Richmond, Peyton; Wang, Anan; Li, Xianchang

    2017-05-01

    Emissions from flares constitute unburned hydrocarbons, carbon monoxide (CO), soot, and other partially burned and altered hydrocarbons along with carbon dioxide (CO2) and water. Soot or visible smoke is of particular concern for flare operators/regulatory agencies. The goal of the study is to develop a computational fluid dynamics (CFD) model capable of predicting flare combustion efficiency (CE) and soot emission. Since detailed combustion mechanisms are too complicated for (CFD) application, a 50-species reduced mechanism, LU 3.0.1, was developed. LU 3.0.1 is capable of handling C4 hydrocarbons and soot precursor species (C2H2, C2H4, C6H6). The new reduced mechanism LU 3.0.1 was first validated against experimental performance indicators: laminar flame speed, adiabatic flame temperature, and ignition delay. Further, CFD simulations using LU 3.0.1 were run to predict soot emission and CE of air-assisted flare tests conducted in 2010 in Tulsa, Oklahoma, using ANSYS Fluent software. Results of non-premixed probability density function (PDF) model and eddy dissipation concept (EDC) model are discussed. It is also noteworthy that when used in conjunction with the EDC turbulence-chemistry model, LU 3.0.1 can reasonably predict volatile organic compound (VOC) emissions as well. A reduced combustion mechanism containing 50 C1-C4 species and soot precursors has been developed and validated against experimental data. The combustion mechanism is then employed in the computational fluid dynamics (CFD) of modeling of soot emission and combustion efficiency (CE) of controlled flares for which experimental soot and CE data are available. The validated CFD modeling tools are useful for oil, gas, and chemical industries to comply with U.S. Environmental Protection Agency's (EPA) mandate to achieve smokeless flaring with a high CE.

  15. Acceleration of the chemistry solver for modeling DI engine combustion using dynamic adaptive chemistry (DAC) schemes

    Science.gov (United States)

    Shi, Yu; Liang, Long; Ge, Hai-Wen; Reitz, Rolf D.

    2010-03-01

    Acceleration of the chemistry solver for engine combustion is of much interest due to the fact that in practical engine simulations extensive computational time is spent solving the fuel oxidation and emission formation chemistry. A dynamic adaptive chemistry (DAC) scheme based on a directed relation graph error propagation (DRGEP) method has been applied to study homogeneous charge compression ignition (HCCI) engine combustion with detailed chemistry (over 500 species) previously using an R-value-based breadth-first search (RBFS) algorithm, which significantly reduced computational times (by as much as 30-fold). The present paper extends the use of this on-the-fly kinetic mechanism reduction scheme to model combustion in direct-injection (DI) engines. It was found that the DAC scheme becomes less efficient when applied to DI engine simulations using a kinetic mechanism of relatively small size and the accuracy of the original DAC scheme decreases for conventional non-premixed combustion engine. The present study also focuses on determination of search-initiating species, involvement of the NOx chemistry, selection of a proper error tolerance, as well as treatment of the interaction of chemical heat release and the fuel spray. Both the DAC schemes were integrated into the ERC KIVA-3v2 code, and simulations were conducted to compare the two schemes. In general, the present DAC scheme has better efficiency and similar accuracy compared to the previous DAC scheme. The efficiency depends on the size of the chemical kinetics mechanism used and the engine operating conditions. For cases using a small n-heptane kinetic mechanism of 34 species, 30% of the computational time is saved, and 50% for a larger n-heptane kinetic mechanism of 61 species. The paper also demonstrates that by combining the present DAC scheme with an adaptive multi-grid chemistry (AMC) solver, it is feasible to simulate a direct-injection engine using a detailed n-heptane mechanism with 543 species

  16. Nitrogen Chemistry in Fluidized Bed Combustion of Coal

    DEFF Research Database (Denmark)

    Jensen, Anker Degn

    The present Ph.D thesis describes an experimental and theoretical investigation of the formation and destruction of nitrogen oxides (NOx and N2O) in fluidized bed combustion (FBC) of coal. A review of the current knowledge of nitrogen chemistry in FBC is presented. The review covers both laboratory...... and reduction by homogeneous and heterogeneous reactions. The data for the estimation of kinetics of the heterogeneous reactions were measured by one of the partners in the project for char and bed material sampled from a pressurized FBC pilot plant burning Kiveton Park coal. Experimental data from the pilot...... identified. Laboratory measurements showed that 50 % of the fuel-N stays in the char after devolatilization and in the model it is assumed that this is oxidized to NO during char combustion. A significant amount of NO, 10-18 % of the fuel-N, was formed by oxidation of NH3 catalyzed by bed material...

  17. A comprehensive combustion chemistry study of 2,5-dimethylhexane

    KAUST Repository

    Sarathy, Mani

    2014-06-01

    Iso-paraffinic molecular structures larger than seven carbon atoms in chain length are commonly found in conventional petroleum, Fischer-Tropsch (FT), and other alternative hydrocarbon fuels, but little research has been done on their combustion behavior. Recent studies have focused on either mono-methylated alkanes and/or highly branched compounds (e.g., 2,2,4-trimethylpentane). In order to better understand the combustion characteristics of real fuels, this study presents new experimental data for the oxidation of 2,5-dimethylhexane under a wide variety of temperature, pressure, and equivalence ratio conditions. This new dataset includes jet stirred reactor speciation, shock tube ignition delay, and rapid compression machine ignition delay, which builds upon recently published data for counterflow flame ignition, extinction, and speciation profiles. The low and high temperature oxidation of 2,5-dimethylhexane has been simulated with a comprehensive chemical kinetic model developed using established reaction rate rules. The agreement between the model and data is presented, along with suggestions for improving model predictions. The oxidation behavior of 2,5-dimethylhexane is compared with oxidation of other octane isomers to confirm the effects of branching on low and intermediate temperature fuel reactivity. The model is used to elucidate the structural features and reaction pathways responsible for inhibiting the reactivity of 2,5-dimethylhexane. © 2014 The Combustion Institute.

  18. Chemistry of polycyclic aromatic hydrocarbons formation from phenyl radical pyrolysis and reaction of phenyl and acetylene.

    Science.gov (United States)

    Comandini, A; Malewicki, T; Brezinsky, K

    2012-03-15

    An experimental investigation of phenyl radical pyrolysis and the phenyl radical + acetylene reaction has been performed to clarify the role of different reaction mechanisms involved in the formation and growth of polycyclic aromatic hydrocarbons (PAHs) serving as precursors for soot formation. Experiments were conducted using GC/GC-MS diagnostics coupled to the high-pressure single-pulse shock tube present at the University of Illinois at Chicago. For the first time, comprehensive speciation of the major stable products, including small hydrocarbons and large PAH intermediates, was obtained over a wide range of pressures (25-60 atm) and temperatures (900-1800 K) which encompass the typical conditions in modern combustion devices. The experimental results were used to validate a comprehensive chemical kinetic model which provides relevant information on the chemistry associated with the formation of PAH compounds. In particular, the modeling results indicate that the o-benzyne chemistry is a key factor in the formation of multi-ring intermediates in phenyl radical pyrolysis. On the other hand, the PAHs from the phenyl + acetylene reaction are formed mainly through recombination between single-ring aromatics and through the hydrogen abstraction/acetylene addition mechanism. Polymerization is the common dominant process at high temperature conditions.

  19. Method and device for determining heats of combustion of gaseous hydrocarbons

    Science.gov (United States)

    Singh, Jag J. (Inventor); Sprinkle, Danny R. (Inventor); Puster, Richard L. (Inventor)

    1988-01-01

    A method and device is provided for a quick, accurate and on-line determination of heats of combustion of gaseous hydrocarbons. First, the amount of oxygen in the carrier air stream is sensed by an oxygen sensing system. Second, three individual volumetric flow rates of oxygen, carrier stream air, and hydrocrabon test gas are introduced into a burner. The hydrocarbon test gas is fed into the burner at a volumetric flow rate, n, measured by a flowmeter. Third, the amount of oxygen in the resulting combustion products is sensed by an oxygen sensing system. Fourth, the volumetric flow rate of oxygen is adjusted until the amount of oxygen in the combustion product equals the amount of oxygen previously sensed in the carrier air stream. This equalizing volumetric flow rate is m and is measured by a flowmeter. The heat of combustion of the hydrocrabon test gas is then determined from the ratio m/n.

  20. Nonlinear theory of combustion stability in liquid rocket engine based on chemistry dynamics

    Institute of Scientific and Technical Information of China (English)

    黄玉辉; 王振国; 周进

    2002-01-01

    Detailed models of combustion instability based on chemistry dynamics are developed. The results show that large activation energy goes against the combustion stability. The heat transfer coefficient between the wall and the combust gas is an important bifurcation parameter for the combustion instability. The acoustics modes of the chamber are in competition and cooperation with each other for limited vibration energy. Thermodynamics criterion of combustion stability can be deduced from the nonlinear thermodynamics. Correlations of the theoretical results and historical experiments indicate that chemical kinetics play a critical role in the combustion instability.

  1. Catalytic combustion and steam reforming of hydrocarbons in microreactor

    Directory of Open Access Journals (Sweden)

    Dimov Sergey

    2017-01-01

    Full Text Available Catalytic combustion of fuel gas using a platinum catalyst was experimentally investigated in the slit microreactor. The composition of the exhaust gases was determined depending on temperature and time of contact. Data of methane steam reforming were received in that reactor with rhodium catalysts depending on temperature for three samples with different composition of doping substances.

  2. New approaches for description of nitrogen chemistry in combustion processes

    Energy Technology Data Exchange (ETDEWEB)

    Hupa, M.; Kilpinen, P.; Nordstroem, T. [Aabo Akademi, Turku (Finland). Combustion Chemistry Research Group

    1997-10-01

    The aim of the project is to assist in development of more efficient in-furnace control methods for nitrogen oxide emission from energy conversion technologies based on combustion and/or gasification. Main emphasis in put on technologies such as fluidized bed combustion (CFBC, BFBC) and combined cycle processes (PFBC, IGCC). The project consists of two parts: (a) detailed kinetic elementary reaction modelling and (b) prediction of NO{sub x} emission from full scale combustors. The following topics have been studied during 1996: (a) Detailed kinetic modelling Effect of HCl on CO burn-out under FBC freeboard conditions. Effect of pressure on the Thermal DeNO{sub x} process under PFBC conditions. Mechanism of NH{sub 3} destruction to N{sub 2} by selective oxidation (SO): -the importance of formation of NO{sub 2} from NO and O{sub 2} at low temperatures. (b) Prediction of NO{sub x} emission from full scale combustors Prediction of NO{sub x} emission from BFBC freeboard: a case study using flow tubes and detailed chemistry. The work has been made partly in collaboration with VTT Energy (projects 213 and 214) and Tampere University of Technology (project 210). (orig.)

  3. Accounting for water formation from hydrocarbon fuel combustion in life cycle analyses

    Science.gov (United States)

    Belmont, E. L.; Davidson, F. T.; Glazer, Y. R.; Beagle, E. A.; Webber, M. E.

    2017-09-01

    Hydrocarbon fuel production and utilization are considered water intensive processes due to the high volumes of water used in source development and fuel processing. At the same time, there is significant water formed during combustion. However, this water is not currently widely harvested at the site of production. Instead, it is added to the hydrologic cycle, often in a different location from the fuel production site. This study quantifies the water formed from combustion of these fuels and analyzes the magnitudes of formation in the context of other hydrologic sources and sinks in order to facilitate future assessments of water harvesting technology and/or atmospheric impacts of combustion. Annual water formation from stoichiometric combustion of hydrocarbon fuels, including natural gas, oil- and natural gas liquid-derived products, and coal, in the United States and worldwide are presented and compared with quantities of water sequestered, evaporated, and stored in the atmosphere. Water production factors in terms of mass and energy of fuel consumed, WPFm and WPFe, respectively, are defined for the comparison of fuels and incorporation into future life cycle analyses (LCAs). Results show that water formation from combustion has increased worldwide from 2005 to 2015, with the largest increase coming from growth in combustion of natural gas. Water formation from combustion of hydrocarbon fuels equals or exceeds water sequestered from the hydrologic cycle through deep well injection in the US annually. Overall, water formation is deemed significant enough to warrant consideration by LCAs of water intensity in fuel production and use, and should be included in future analyses.

  4. Comprehensive mechanisms for combustion chemistry: Experiment, modeling, and sensitivity analysis

    Energy Technology Data Exchange (ETDEWEB)

    Dryer, F.L.; Yetter, R.A. [Princeton Univ., NJ (United States)

    1993-12-01

    This research program is an integrated experimental/numerical effort to study pyrolysis and oxidation reactions and mechanisms for small-molecule hydrocarbon structures under conditions representative of combustion environments. The experimental aspects of the work are conducted in large diameter flow reactors, at pressures from one to twenty atmospheres, temperatures from 550 K to 1200 K, and with observed reaction times from 10{sup {minus}2} to 5 seconds. Gas sampling of stable reactant, intermediate, and product species concentrations provides not only substantial definition of the phenomenology of reaction mechanisms, but a significantly constrained set of kinetic information with negligible diffusive coupling. Analytical techniques used for detecting hydrocarbons and carbon oxides include gas chromatography (GC), and gas infrared (NDIR) and FTIR methods are utilized for continuous on-line sample detection of light absorption measurements of OH have also been performed in an atmospheric pressure flow reactor (APFR), and a variable pressure flow (VPFR) reactor is presently being instrumented to perform optical measurements of radicals and highly reactive molecular intermediates. The numerical aspects of the work utilize zero and one-dimensional pre-mixed, detailed kinetic studies, including path, elemental gradient sensitivity, and feature sensitivity analyses. The program emphasizes the use of hierarchical mechanistic construction to understand and develop detailed kinetic mechanisms. Numerical studies are utilized for guiding experimental parameter selections, for interpreting observations, for extending the predictive range of mechanism constructs, and to study the effects of diffusive transport coupling on reaction behavior in flames. Modeling using well defined and validated mechanisms for the CO/H{sub 2}/oxidant systems.

  5. Ab Initio-Based Predictions of Hydrocarbon Combustion Chemistry

    Science.gov (United States)

    2015-07-15

    144306  (2010)]  and  the   cubic -­‐ spline -­‐fitted   PES   reported   by   Xu,   Xie,   Zhang,   Lin,   and   Guo...SUBTITLE 13. SUPPLEMENTARY NOTES 12. DISTRIBUTION AVAILIBILITY STATEMENT 6. AUTHORS 7. PERFORMING ORGANIZATION NAMES AND ADDRESSES 15. SUBJECT TERMS b ...accurate global PESs and for direct dynamics simulations using interpolating moving least squares (IMLS) that guarantee high fidelity to ab initio data. A

  6. Experimental Studies of Hydrocarbon Flame Phenomena: Enabling Combustion Control

    Science.gov (United States)

    2016-07-30

    36 where Su 0 is the burning velocity of the pure fuel , Ea is the activation energy , R represents the universal gas constant, Tb is the mixture...K.M., 2009, “On diluted- fuel combustion issues in burning biogas surrogates,” ASME J. Energy Resour. Technol., 131(4), pp. 041802-041802-9. [8...Diluted MethaneFlames in the Near- andFar-Field , Journal of Energy Resources Technology, (12 2013): 0. doi: Andrew R. Hutchins, William A. Reach

  7. Piston ring lubrication and hydrocarbon emissions from internal combustion engines

    Energy Technology Data Exchange (ETDEWEB)

    Froelund, K.

    1997-11-01

    Is it the intention with this project to improve the existing hydrocarbon emission model at the Institute by combining it with a model for predicting the piston ring lubrication. The piston ring lubrication model should be experimentally verified to ensure the validity of the model. The following items were the objectives of the current study: Develop a piston ring lubrication model. This implies the development of a ring-pack gas flow model; Examine the response of the piston ring lubrication model to changing engineer conditions. Especially, it would be interesting to look at the engine warm-up phase since this is the phase where the engine-out emissions are highest and where the commonly used three way catalyst is not capable of converting the engine-out emissions, thereby leading the engine-out emissions directly out in to the environment with the exhaust gases; In order to verify the piston ring lubrication model the lubricant distribution on the cylinder liner should be investigated experimentally. Here again it would be of great interesting to look at the engine warm-up phase; The piston ring lubrication model should be adjusted for application together with the new hydrocarbon emission model for SI-engines at the Institute in order to increase the accuracy of the latter; The piston ring lubrication model could be used for describing the transport of PAH`s in diesel engines. (EG)

  8. Emissions of Parent, Nitro, and Oxygenated Polycyclic Aromatic Hydrocarbons from Residential Wood Combustion in Rural China

    OpenAIRE

    SHEN, Guofeng; TAO, SHU; WEI, Siye; ZHANG, Yanyan; Wang, Rong; Wang, Bin; Li, Wei; Shen, Huizhong; HUANG, YE; Chen, Yuanchen; Chen, Han; Yang, Yifeng; Wang, Wei; Wang, Xilong; Liu, Wenxin

    2012-01-01

    Residential wood combustion is one of the important sources of air pollution in developing countries. Among the pollutants emitted, parent polycyclic aromatic hydrocarbons (pPAHs) and their derivatives, including nitrated and oxygenated PAHs (nPAHs and oPAHs), are of concern because of their mutagenic and carcinogenic effects. In order to evaluate their impacts on regional air quality and human health, emission inventories, based on realistic emission factors (EFs), are needed. In this study,...

  9. Combustion performance and heat transfer characterization of LOX/hydrocarbon type propellants. Task 3: Data dump

    Science.gov (United States)

    Hart, S. W.

    1982-01-01

    A preliminary characterization of Orbital Maneuvering System (OMS) and Reaction Control System (RCS) engine point designs over a range of thrust and chamber pressure for several hydrocarbon fuels is reported. OMS and RCS engine point designs were established in two phases comprising baseline and parametric designs. Interface pressures, performance and operating parameters, combustion chamber cooling and turboprop requirements, component weights and envelopes, and propellant conditioning requirements for liquid to vapor phase engine operation are defined.

  10. Assessment of Turbulence-Chemistry Interaction Models in the National Combustion Code (NCC) - Part I

    Science.gov (United States)

    Wey, Thomas Changju; Liu, Nan-suey

    2011-01-01

    This paper describes the implementations of the linear-eddy model (LEM) and an Eulerian FDF/PDF model in the National Combustion Code (NCC) for the simulation of turbulent combustion. The impacts of these two models, along with the so called laminar chemistry model, are then illustrated via the preliminary results from two combustion systems: a nine-element gas fueled combustor and a single-element liquid fueled combustor.

  11. Optofluidic reactors for reverse combustion photocatalytic production of hydrocarbons (Conference Presentation)

    Science.gov (United States)

    Schein, Perry; Erickson, David

    2017-03-01

    In combustion, hydrocarbon fuels are burned with oxygen to release energy, carbon dioxide and water vapor. Here, we introduce a photocatalytic reactor for reversing this process, when carbon dioxide and water are combined and using optical and thermal energy from the sun hydrocarbons are produced and oxygen is released. This allows for the sustainable production of hydrocarbon products from non-fossil sources, allowing for the development of "green" hydrocarbon products. Our reactors take the form of modular cells of 10 x 10 x 10 cm scale where light is delivered to nanostructured catalysts through the evanescent field around dielectric slab waveguides. The light distribution is optimized through the use of engineered scattering sites to enhance field uniformity. This is combined with integrated fluidic architecture to deliver a stream rich in water and carbon dioxide (such as exhaust from a natural gas burning plant) to the nanostructured catalyst particles in a narrow channel. Exhaust streams rich in oxygen and hydrocarbon products are collected at the outlet of the reactor cell. The cell is heated using solar thermal energy and temperatures of up to 200°C are achieved, enhancing reaction efficiency. Hydrocarbon products produced include methanol as well as other potentially useful molecules for fuel production or precursors to the manufacture of plastics. These reactors can be coupled to solar collectors to take advantage of the sun as a free source of heat and light, and the modular nature of the cells enables scaling to larger deployments.

  12. Fundamentals of the physical-chemistry of pulverized coal combustion

    Energy Technology Data Exchange (ETDEWEB)

    Lahaye, J.; Prado, G. (eds.)

    1987-01-01

    A total of 20 papers were presented at the conference in seven sessions the major headings of which are: devolatilization, heterogeneous combustion, pollutants in coal combustion, optical diagnostics and transfer to the modelling.

  13. Laser Spectrometric Measurement System for Local Express Diagnostics of Flame at Combustion of Liquid Hydrocarbon Fuels

    Science.gov (United States)

    Kobtsev, V. D.; Kozlov, D. N.; Kostritsa, S. A.; Smirnov, V. V.; Stel'makh, O. M.; Tumanov, A. A.

    2016-03-01

    A laboratory laser spectrometric measurement system for investigation of spatial distributions of local temperatures in a flame at combustion of vapors of various liquid hydrocarbon fuels in oxygen or air at atmospheric pressure is presented. The system incorporates a coherent anti-Stokes Raman spectrometer with high spatial resolution for local thermometry of nitrogen-containing gas mixtures in a single laser shot and a continuous operation burner with a laminar diffusion flame. The system test results are presented for measurements of spatial distributions of local temperatures in various flame zones at combustion of vapor—gas n-decane/nitrogen mixtures in air. Its applicability for accomplishing practical tasks in comparative laboratory investigation of characteristics of various fuels and for research on combustion in turbulent flames is discussed.

  14. Numerical simulation of combustion stability of liquidrocket engine based on chemistry dynamics

    Institute of Scientific and Technical Information of China (English)

    黄玉辉; 王振国; 周进

    2002-01-01

    Combustion instability of O2/kerosene, O2/kerosene/hydrogen, and O2/kerosene/hydro- gen spray flame is numerically studied. The numerical results of combustion self-oscillation are consistent with the historical experiments. Hydrogen is helpful to stabilizing oxygen/hydrocarbon combustion. High gas injecting velocity of the coaxial injector would increase the combustion stability. Contrary to the former expectation, the most sensitive region for combustion instability is not where the heat releases most intensely but is the low-temperature premixed region near the injectors. According to the simulation, the technology steps, such as adding catalyzer to decrease the reaction activity energy, or improving the injector design to reduce the premixed low temperature region, would improve the combustion stability.

  15. Problems in Catalytic Oxidation of Hydrocarbons and Detailed Simulation of Combustion Processes

    Science.gov (United States)

    Xin, Yuxuan

    This dissertation research consists of two parts, with Part I on the kinetics of catalytic oxidation of hydrocarbons and Part II on aspects on the detailed simulation of combustion processes. In Part I, the catalytic oxidation of C1--C3 hydrocarbons, namely methane, ethane, propane and ethylene, was investigated for lean hydrocarbon-air mixtures over an unsupported Pd-based catalyst, from 600 to 800 K and under atmospheric pressure. In Chapter 2, the experimental facility of wire microcalorimetry and simulation configuration were described in details. In Chapter 3 and 4, the oxidation rate of C1--C 3 hydrocarbons is demonstrated to be determined by the dissociative adsorption of hydrocarbons. A detailed surface kinetics model is proposed with deriving the rate coefficient of hydrocarbon dissociative adsorption from the wire microcalorimetry data. In Part II, four fundamental studies were conducted through detailed combustion simulations. In Chapter 5, self-accelerating hydrogen-air flames are studied via two-dimensional detailed numerical simulation (DNS). The increase in the global flame velocity is shown to be caused by the increase of flame surface area, and the fractal structure of the flame front is demonstrated by the box-counting method. In Chapter 6, skeletal reaction models for butane combustion are derived by using directed relation graph (DRG) and DRG-aided sensitivity analysis (DRGASA), and uncertainty minimization by polynomial chaos expansion (MUM-PCE) mothodes. The dependence of model uncertainty is subjected to the completeness of the model. In Chapter 7, a systematic strategy is proposed to reduce the cost of the multicomponent diffusion model by accurately accounting for the species whose diffusivity is important to the global responses of the combustion systems, and approximating those of less importance by the mixture-averaged model. The reduced model is validated in an n-heptane mechanism with 88 species. In Chapter 8, the influence of Soret

  16. Resonance Energy of an Arene Hydrocarbon from Heat of Combustion Measurements.

    Science.gov (United States)

    Kolesnichenko, Vladimir L

    2015-12-08

    A simple experimental method for determination of the resonance energy by measuring the energies of combustion for two isomeric compounds, aromatic 1-tert-butyl-3,5-dimethylbenzene and nonaromatic trans,trans,cis-1,5,9-cyclododecatriene is proposed. Both compounds not only have the same molecular formula, but also contain the same number of sp(2) and sp(3) carbon atoms. After converting the obtained values into the gas phase heats of combustion and subtracting one value from another, the resulting mean resonance energy of 184 kJ/mol was obtained. The proposed method can be offered as an experiment for an undergraduate physical chemistry lab curriculum.

  17. Vacuum ultraviolet photo-physical chemistry of hydrocarbon polymers

    Science.gov (United States)

    Truica-Marasescu, Florina-Elena

    The purpose of this study has been to investigate fundamental processes involved in the vacuum ultraviolet (VUV, lambda films at atmospheric pressure, thereby alleviating the need for expensive vacuum pumps and other auxiliary equipment necessary for continuous low-pressure plasma roll-to-roll treatment of flexible substrates. Another important advantage of VUV photochemistry over plasma is that more specific surface chemistries can be achieved with monochromatic VUV radiation, due to selective (photo-) chemistries both on the solid surface and in the gas phase. The hydrocarbon polymers used for this study were well-characterized low-density polyethylene, LDPE; biaxially-oriented polypropylene, BOPP; polystyrene, PS; and poly(methylmethacrylate), PMMA. Due to the complexity of interactions between VUV photons and polymers, especially when the latter are in a reactive gas, VUV-wavelength-dependent effects on the physico-chemical properties of irradiated polymer surfaces have been investigated under two different set of conditions, namely: VUV exposure in vacuum, and in a reactive atmosphere of low-pressure ammonia, VUV/NH3. In the former case, we investigated wavelength (lambda)-dependent material ablation ("etching") by in-situ quartz crystal microbalance (QCM) measurements, as a function of the irradiation dose, D. Near-surface structural changes (the creation of unsaturation, cross-linking, etc.) and radical-creation reactions resulting from VUV-initiated bond scissions were analysed by attenuated total reflectance infrared spectroscopy (ATR-FTIR) and by X-ray photoelectron spectroscopy (XPS) following irradiation. For all polymers studied the etch rates, R(lambda), were found to correlate well with the corresponding absorption coefficients, alpha(lambda), and with the accumulation rates, K, of various (C=C)-containing groups, determined from quantitative FTIR measurements. PMMA was found to have the highest R values, and the rate of mass loss of BOPP was higher

  18. [Emission factors of polycyclic aromatic hydrocarbons (PAHs) in residential coal combustion and its influence factors].

    Science.gov (United States)

    Hai, Ting-Ting; Chen, Ying-Jun; Wang, Yan; Tian, Chong-Guo; Lin, Tian

    2013-07-01

    As the emission source of polycyclic aromatic hydrocarbons (PAHs), domestic coal combustion has attracted increasing attention in China. According to the coal maturity, combustion form and stove type associated with domestic coal combustion, a large-size, full-flow dilution tunnel and fractional sampling system was employed to collect the emissions from five coals with various maturities, which were burned in the form of raw-coal-chunk (RCC)/honeycomb-coal-briquettes (HCB) in different residential stoves, and then the emission factors of PAHs (EF(PAHs)) were achieved. The results indicate that the EF(PAHs) of bituminous coal ranged from 1.1 mg x kg(-1) to 3.9 mg x kg(-1) for RCC and 2.5 mg x kg(-1) to 21. 1 mg x kg(-1) for HCB, and the anthracite EF(PAH8) were 0.2 mg x kg(-1) for RCC and 0.6 mg x kg(-1) for HCB, respectively. Among all the influence factors of emission factors of PAHs from domestic coal combustion, the maturity of coal played a major role, the range of variance reaching 1 to 2 orders of magnitude in coals with different maturity. Followed by the form of combustion (RCC/HCB), the EF(PAHs) of HCB was 2-6 times higher than that of RCC for the same geological maturity of the coal. The type of stove had little influence on EF(PAHs).

  19. Nitrogen Chemistry in Fluidized Bed Combustion of Coal

    DEFF Research Database (Denmark)

    Jensen, Anker Degn

    plant were used for model verification. The simulations of the NO emission during staged combustion and NH3 injection for NO reduction were in qualitative agreement with the experimental data. A parametric study of the influence of operating conditions on the conversion of fuel-N to NO showed...... are subjected to some uncertainty, and a sensitivity analysis of the predicted NO emission was carried out. The analysis showed that the predicted NO emission is sensitive to both hydrodynamic and combustion-related parameters. The most important hydrodynamic parameters were the minimum fluidization velocity......, the gas interchange coefficient, the bubble size and the bubble rise velocity. The most important combustion parameters were the rate of CO and CH4 combustion and the fraction of CO produced from char combustion. By using a rate of production analysis, the important reactions in the NO model were...

  20. Combustion chemistry of alcohols: Experimental and modeled structure of a premixed 2-methylbutanol flame

    KAUST Repository

    Lucassen, Arnas

    2014-06-14

    This paper presents a detailed investigation of 2-methylbutanol combustion chemistry in low-pressure premixed flames. This chemistry is of particular interest to study because this compound is potentially a lignocellulosic-based, next-generation biofuel. The detailed chemical structure of a stoichiometric low-pressure (25 Torr) flame was determined using flame-sampling molecular-beam mass spectrometry. A total of 55 species were identified and subsequently quantitative mole fraction profiles as function of distance from the burner surface were determined. In an independent effort, a detailed flame chemistry model for 2-methylbutanol was assembled based on recent knowledge gained from combustion chemistry studies for butanol isomers ([Sarathy et al. Combust. Flame 159 (6) (2012) 2028-2055]) and iso-pentanol (3-methylbutanol) [Sarathy et al. Combust. Flame 160 (12) (2013) 2712-2728]. Experimentally determined and modeled mole fraction profiles were compared to demonstrate the model\\'s capabilities. Examples of individual mole fraction profiles are discussed together with the most significant fuel consumption pathways to highlight the combustion chemistry of 2-methylbutanol. Discrepancies between experimental and modeling results are used to suggest areas where improvement of the kinetic model would be needed. © 2014.

  1. An unexpected restructuring of combustion soot aggregates by subnanometer coatings of polycyclic aromatic hydrocarbons

    Science.gov (United States)

    Chen, Chao; Fan, Xiaolong; Shaltout, Tasneem; Qiu, Chong; Ma, Yan; Goldman, Andrew; Khalizov, Alexei F.

    2016-10-01

    We investigated the effect of thin polycyclic aromatic hydrocarbon (PAH) coatings on the structure of soot aggregates. Soot aerosol from an inverted diffusion burner was size classified, thermally denuded, coated with six different PAHs, and then characterized using scanning electron microscopy, light scattering, and mass-mobility measurements. Contrary to our expectation, significant restructuring was observed in the presence of subnanometer layers of pyrene, fluoranthene, and phenanthrene. These PAHs remained in subcooled liquid state in thin films, whereby the liquid layer acted as a lubricant, reducing the force required to initiate the restructuring. Thin layers of PAH of higher melting temperatures (perylene, anthracene, and triphenylene) presumably remained solid because these chemicals induced lesser structural changes. Our results suggest that some of the intrinsic PAH generated during incomplete combustion may induce significant restructuring of soot aggregates, even when present in small quantities, altering the properties and atmospheric impacts of combustion aerosols.

  2. An insight into chemical kinetics and turbulence-chemistry interaction modeling in flameless combustion

    Directory of Open Access Journals (Sweden)

    Amir Azimi, Javad Aminian

    2015-01-01

    Full Text Available Computational Fluid Dynamics (CFD study of flameless combustion condition is carried out by solving the Reynolds-Averaged Navier-Stokes (RANS equations in the open-source CFD package of OpenFOAM 2.1.0. Particular attention is devoted to the comparison of three global and detailed chemical mechanisms using the Partially Stirred Reactor (PaSR combustion model for the turbulence-chemistry interaction treatment. The OpenFOAM simulations are assessed against previously published CFD results using the Eddy Dissipation Concept (EDC combustion model as well as the experimental data available in the literature. Results show that global chemical mechanisms provide acceptable predictions of temperature and major species fields in flameless mode with much lower computational costs comparing with the detailed chemical mechanisms. However, incorporation of detailed chemical mechanisms with proper combustion models is crucial to account for finite-rate chemistry effects and accurately predict net production of minor species.

  3. Role of temperature and hydrochloric acid on the formation of chlorinated hydrocarbons and polycyclic aromatic hydrocarbons during combustion of paraffin powder, polymers, and newspaper.

    Science.gov (United States)

    Takasuga, Takumi; Umetsu, Norihito; Makino, Tetsuya; Tsubota, Katsuya; Sajwan, Kenneth S; Kumar, Kurunthachalam Senthil

    2007-07-01

    Formation of chlorinated hydrocarbons and polycyclic aromatic hydrocarbons (PAHs) were determined using a laboratory-scale incinerator when combusting materials at different temperatures, different concentrations of hydrochloric acid (HCl), and when combusting various types of polymers/newspaper. Polychlorobenzenes (PCBz), polychlorophenols (PCPhs), polychlorinated dibenzo-p-dioxins/furans (PCDD/Fs) and their toxic equivalency (TEQ) and PAHs were highlighted and reported. Our results imply maximum formation of chlorinated hydrocarbons at 400 degrees C in the following order; PCBz>or=PCPhs>PCDFs>PCDDs>TEQ on a parts-per-billion level. Similarly, a maximum concentration of chlorinated hydrocarbons was noticed with an HCl concentration at 1000 ppm with the presence of paraffin powder in the following order; PAHs>PCBz>or=PCPhs>PCDFs>PCDDs>TEQ an a parts-per-billion level. PAHs were not measured at different temperatures. Elevated PAHs were noticed with different HCl concentrations and paraffin powder combustion (range: 27-32 microg/g). While, different polymers and newspaper combusted, nylon and acrylonitrile butadiene styrene (ABS) produced the maximum hydrogen cyanide (HCN) concentration, concentrations of PCDD/FS, dioxin-like polychlorinated biphenyls (DL-PCBs), and TEQ were in a decreasing order: polyvinylchloride (PVC)newspapernewspapernewspaper newspapernewspaper

  4. A Model for Nitrogen Chemistry in Oxy-Fuel Combustion of Pulverized Coal

    OpenAIRE

    Hashemi, Hamid; Hansen, Stine; Toftegaard, Maja Bøg; Pedersen, Kim Hougaard; Jensen, Anker Degn; Dam-Johansen, Kim; Glarborg, Peter

    2011-01-01

    In this work, a model for the nitrogen chemistry in the oxy-fuel combustion of pulverized coal has been developed. The model is a chemical reaction engineering type of model with a detailed reaction mechanism for the gas-phase chemistry, together with a simplified description of the mixing of flows, heating and devolatilization of particles, and gas–solid reactions. The model is validated by comparison with entrained flow reactor results from the present work and from the literature on pulver...

  5. Emission and Size Distribution of Particle-bound Polycyclic Aromatic Hydrocarbons from Residential Wood Combustion

    Science.gov (United States)

    Shen, Guofeng; Wei, Siye; Zhang, Yanyan; Wang, Bin; Wang, Rong; Shen, Huizhong; Li, Wei; Huang, Ye; Chen, Yuanchen; Chen, Han; Tao, Shu

    2015-01-01

    Emissions and size distributions of 28 particle-bound polycyclic aromatic hydrocarbons (PAHs) from residential combustion of 19 fuels in a domestic cooking stove in rural China were studied. Measured emission factors of total PAHs were 1.79±1.55, 12.1±9.1, and 5.36±4.46 mg/kg for fuel wood, brushwood, and bamboo, respectively. Approximate 86.7, 65.0, and 79.7% of the PAHs were associated with fine particulate matter with size less than 2.1 µm for these three types of fuels. Statistically significant difference in emission factors and size distributions of particle-bound PAHs between fuel wood and brushwood was observed, with the former had lower emission factors but more PAHs in finer PM. Mass fraction of the fine particles associated PAHs was found to be positively correlated with fuel density and moisture, and negatively correlated with combustion efficiency. Low and high molecular weight PAHs segregated into the coarse and fine PM, respectively. The high accumulation tendency of the PAHs from residential wood combustion in fine particles implies strong adverse health impact. PMID:25678760

  6. (DURIP 10) High Speed Intensified Imaging System For Studies Of Mixing And Combustion In Supersonic Flows And Hydrocarbon Flame Structure Measurements At Elevated Pressures

    Science.gov (United States)

    2016-11-09

    AFRL-AFOSR-VA-TR-2016-0357 (DURIP 10) HIGH-SPEED INTENSIFIED IMAGING SYSTEM FOR STUDIES OF MIXING AND COMBUSTION IN SUPERSONIC FLOWS AND HYDROCARBON...COVERED (From - To) 03 Sep 2010 to 29 Sep 2011 4. TITLE AND SUBTITLE (DURIP 10) HIGH-SPEED INTENSIFIED IMAGING SYSTEM FOR STUDIES OF MIXING AND COMBUSTION ...91125 HIGH SPEED INTENSIFIED IMAGING SYSTEM FOR MIXING AND COMBUSTION IN SUPERSONIC FLOWS AND HYDROCARBON- FLAME STRUCTURE MEASUREMENTS AT

  7. The effects of polycyclic aromatic hydrocarbons on the chemistry of photodissociation regions

    NARCIS (Netherlands)

    Bakes, ELO; Tielens, AGGM

    1998-01-01

    We have investigated the effects of including polycylic aromatic hydrocarbons (PAHs) on the abundance of neutral atoms and molecules for two typical photodissociation regions (PDRs): a high-density case (the Orion complex) and a low-density case. PAHs provide a large surface area for chemistry betwe

  8. Hydrocarbons. Independent Learning Project for Advanced Chemistry (ILPAC). Unit O1.

    Science.gov (United States)

    Inner London Education Authority (England).

    This unit on hydrocarbons is one of 10 first year units produced by the Independent Learning Project for Advanced Chemistry (ILPAC). The unit is divided into sections dealing with alkanes, alkenes, alkynes, arenes, and several aspects of the petroleum industry. Two experiments, exercises (with answers), and pre- and post-tests are included.…

  9. New approaches for description of nitrogen chemistry in combustion

    Energy Technology Data Exchange (ETDEWEB)

    Hupa, M.; Kilpinen, P.; Brink, A.; Norstroem, T. [Aabo Akademi, Turku (Finland)

    1996-12-01

    The aim of the project is to develop novel models for a more accurate description of nitrogen oxide emissions from combustion processes and to increase the understanding of the complex details of homogeneous nitrogen reactions in combustion and gasification. The topics dealt with during 1995 include: (1) effect of Cl on CO oxidation and nitrogen reactions, (2) effect of pressure on NO reduction by SNCR (in co-operation with the project 204), (3) NH{sub 3} conversion to N{sub 2} in gasification gases by selective oxidation (in cooperation with the project 203). In addition, a literature review of the models suggested for the interaction between turbulence and a chemical gas-phase reaction has been made. A commercial CFD code, FLUENT, has also been taken into use. (author)

  10. An optimization approach to kinetic model reduction for combustion chemistry

    CERN Document Server

    Lebiedz, Dirk

    2013-01-01

    Model reduction methods are relevant when the computation time of a full convection-diffusion-reaction simulation based on detailed chemical reaction mechanisms is too large. In this article, we review a model reduction approach based on optimization of trajectories and show its applicability to realistic combustion models. As most model reduction methods, it identifies points on a slow invariant manifold based on time scale separation in the dynamics of the reaction system. The numerical approximation of points on the manifold is achieved by solving a semi-infinite optimization problem, where the dynamics enter the problem as constraints. The proof of existence of a solution for an arbitrarily chosen dimension of the reduced model (slow manifold) is extended to the case of realistic combustion models including thermochemistry by considering the properties of proper maps. The model reduction approach is finally applied to three models based on realistic reaction mechanisms: 1. ozone decomposition as a small t...

  11. Chemistry and combustion of fit-for-purpose biofuels.

    Science.gov (United States)

    Rothamer, David A; Donohue, Timothy J

    2013-06-01

    From the inception of internal combustion engines, biologically derived fuels (biofuels) have played a role. Nicolaus Otto ran a predecessor to today's spark-ignition engine with an ethanol fuel blend in 1860. At the 1900 Paris world's fair, Rudolf Diesel ran his engine on peanut oil. Over 100 years of petroleum production has led to consistency and reliability of engines that demand standardized fuels. New biofuels can displace petroleum-based fuels and produce positive impacts on the environment, the economy, and the use of local energy sources. This review discusses the combustion, performance and other requirements of biofuels that will impact their near-term and long-term ability to replace petroleum fuels in transportation applications. Copyright © 2013 Elsevier Ltd. All rights reserved.

  12. Physics and chemistry of plasma-assisted combustion.

    Science.gov (United States)

    Starikovskiy, Andrey

    2015-08-13

    There are several mechanisms that affect a gas when using discharge plasma to initiate combustion or to stabilize a flame. There are two thermal mechanisms-the homogeneous and inhomogeneous heating of the gas due to 'hot' atom thermalization and vibrational and electronic energy relaxation. The homogeneous heating causes the acceleration of the chemical reactions. The inhomogeneous heating generates flow perturbations, which promote increased turbulence and mixing. Non-thermal mechanisms include the ionic wind effect (the momentum transfer from an electric field to the gas due to the space charge), ion and electron drift (which can lead to additional fluxes of active radicals in the gradient flows in the electric field) and the excitation, dissociation and ionization of the gas by e-impact, which leads to non-equilibrium radical production and changes the kinetic mechanisms of ignition and combustion. These mechanisms, either together or separately, can provide additional combustion control which is necessary for ultra-lean flames, high-speed flows, cold low-pressure conditions of high-altitude gas turbine engine relight, detonation initiation in pulsed detonation engines and distributed ignition control in homogeneous charge-compression ignition engines, among others. Despite the lack of knowledge in mechanism details, non-equilibrium plasma demonstrates great potential for controlling ultra-lean, ultra-fast, low-temperature flames and is extremely promising technology for a very wide range of applications.

  13. Using Distonic Radical Ions to Probe the Chemistry of Key Combustion Intermediates: The Case of the Benzoxyl Radical Anion

    Science.gov (United States)

    Li, Cong; Lam, Adrian K. Y.; Khairallah, George N.; White, Jonathan M.; O'Hair, Richard A. J.; da Silva, Gabriel

    2013-04-01

    The benzoxyl radical is a key intermediate in the combustion of toluene and other aromatic hydrocarbons, yet relatively little experimental work has been performed on this species. Here, a combination of electrospray ionization (ESI), multistage mass spectrometry experiments, and density functional theory (DFT) calculations are used to examine the formation and fragmentation of a benzoxyl (benzyloxyl) distonic radical anion. Excited 4-carboxylatobenzoxyl radical anions were produced via two methods: (1) collision induced dissociation (CID) of the nitrate ester 4-(nitrooxymethyl)benzoate, -O2CC6H4CH2ONO2, and (2) reaction of ozone with the 4-carboxylatobenzyl radical anion, -O2CC6H4CH2 •. In neither case was the stabilized -O2CC6H4CH2O• radical anion intermediate detected. Instead, dissociation products at m/ z 121 and 149 were observed. These products are attributed to benzaldehyde (O2 -CC6H4CHO) and benzene (-O2CC6H5) products from respective loss of H and HCO radicals in the vibrationally excited benzoxyl intermediate. In no experiments was a product at m/ z 120 (i.e., -O2CC6H4 •) detected, corresponding to absence of the commonly assumed phenyl radical + CH2=O channel. The results reported suggest that distonic ions are useful surrogates for reactive intermediates formed in combustion chemistry.

  14. Emission factors of carbonaceous particulate matter and polycyclic aromatic hydrocarbons from residential solid fuel combustions

    Energy Technology Data Exchange (ETDEWEB)

    Shen, Guofeng [Jiangsu Academy of Environmental Science, Nanjing (China). Inst. of Atmospheric Sciences

    2014-07-01

    Emission inventory is basic for the understanding of environmental behaviors and potential effects of compounds, however, current inventories are often associated with relatively high uncertainties. One important reason is the lack of emission factors, especially for the residential solid fuel combustion in developing countries. In the present study, emission factors of a group of pollutants including particulate matter, organic carbon, elemental carbon (sometimes known as black carbon) and polycyclic aromatic hydrocarbons were measured for a variety of residential solid fuels including coal, crop straw, wood, and biomass pellets in rural China. The study provided a large number of emission factors that can be further used in emission estimation. Composition profiles and isomer ratios were investigated and compared so as to be used in source apportionment. In addition, the present study identified and quantified the influence of factors like fuel moisture, volatile matter on emission performance.

  15. Nitrogen Chemistry During Burnout in Fuel-Staged Combustion

    DEFF Research Database (Denmark)

    Kristensen, Per Gravers; Glarborg, Peter; Dam-Johansen, Kim

    1996-01-01

    A parametric study involving flow reactor experiments and chemical kinetic modeling is presented for the burnout zone in fuel-staging (reburning). The results provide guidelines for optimizing the reburn process and provide a test basis for verifying kinetic models for nitrogen chemistry at tempe......A parametric study involving flow reactor experiments and chemical kinetic modeling is presented for the burnout zone in fuel-staging (reburning). The results provide guidelines for optimizing the reburn process and provide a test basis for verifying kinetic models for nitrogen chemistry...

  16. Nitrogen Chemistry During Burnout in Fuel-Staged Combustion

    DEFF Research Database (Denmark)

    Kristensen, Per Gravers; Glarborg, Peter; Dam-Johansen, Kim

    1996-01-01

    A parametric study involving flow reactor experiments and chemical kinetic modeling is presented for the burnout zone in fuel-staging (reburning). The results provide guidelines for optimizing the reburn process and provide a test basis for verifying kinetic models for nitrogen chemistry at tempe...

  17. 3-D CFD Simulation and Validation of Oxygen-Rich Hydrocarbon Combustion in a Gas-Centered Swirl Coaxial Injector using a Flamelet-Based Approach

    Science.gov (United States)

    Richardson, Brian; Kenny, Jeremy

    2015-01-01

    Injector design is a critical part of the development of a rocket Thrust Chamber Assembly (TCA). Proper detailed injector design can maximize propulsion efficiency while minimizing the potential for failures in the combustion chamber. Traditional design and analysis methods for hydrocarbon-fuel injector elements are based heavily on empirical data and models developed from heritage hardware tests. Using this limited set of data produces challenges when trying to design a new propulsion system where the operating conditions may greatly differ from heritage applications. Time-accurate, Three-Dimensional (3-D) Computational Fluid Dynamics (CFD) modeling of combusting flows inside of injectors has long been a goal of the fluid analysis group at Marshall Space Flight Center (MSFC) and the larger CFD modeling community. CFD simulation can provide insight into the design and function of an injector that cannot be obtained easily through testing or empirical comparisons to existing hardware. However, the traditional finite-rate chemistry modeling approach utilized to simulate combusting flows for complex fuels, such as Rocket Propellant-2 (RP-2), is prohibitively expensive and time consuming even with a large amount of computational resources. MSFC has been working, in partnership with Streamline Numerics, Inc., to develop a computationally efficient, flamelet-based approach for modeling complex combusting flow applications. In this work, a flamelet modeling approach is used to simulate time-accurate, 3-D, combusting flow inside a single Gas Centered Swirl Coaxial (GCSC) injector using the flow solver, Loci-STREAM. CFD simulations were performed for several different injector geometries. Results of the CFD analysis helped guide the design of the injector from an initial concept to a tested prototype. The results of the CFD analysis are compared to data gathered from several hot-fire, single element injector tests performed in the Air Force Research Lab EC-1 test facility

  18. Emission factors of polycyclic aromatic hydrocarbons from domestic coal combustion in China.

    Science.gov (United States)

    Geng, Chunmei; Chen, Jianhua; Yang, Xiaoyang; Ren, Lihong; Yin, Baohui; Liu, Xiaoyu; Bai, Zhipeng

    2014-01-01

    Domestic coal stove is widely used in China, especially for countryside during heating period of winter, and polycyclic aromatic hydrocarbons (PAHs) are important in flue gas of the stove. By using dilution tunnel system, samples of both gaseous and particulate phases from domestic coal combustion were collected and 18 PAH species were analyzed by GC-MS. The average emission factors of total 18 PAH species was 171.73 mg/kg, ranging from 140.75 to 229.11 mg/kg for bituminous coals, while was 93.98 mg/kg, ranging from 58.48 to 129.47 mg/kg for anthracite coals. PAHs in gaseous phases occupied 95% of the total of PAHs emission of coal combustion. In particulate phase, 3-ring and 4-ring PAHs were the main components, accounting for 80% of the total particulate PAHs. The total toxicity potency evaluated by benzo[a]pyrene-equivalent carcinogenic power, sum of 7 carcinogenic PAH components and 2,3,7,8-tetrachlorodibenzodioxin had a similar tendency. And as a result, the toxic potential of bituminous coal was higher than that of anthracite coal. Efficient emission control should be conducted to reduce PAH emissions in order to protect ecosystem and human health.

  19. Non intrusive spectroscopic investigations of soot and unburnt hydrocarbons in combustion gases

    Science.gov (United States)

    Hilton, Moira; Arrigone, Giovanni M.; Miller, Michael N.

    1999-09-01

    Fourier Transform Infrared (FTIR) spectroscopy was used to investigate the IR spectral absorption of soot particles from a Palas smoke generator. A TSI Condensation Particle Counter was used to quantify the number of soot particles produced and this was related to the intensity of the IR absorption. The broad band IR absorption increases with soot particle count but quantitative measurements of total soot mass were not obtained because accurate size distributions of the particles were not available. A sample of gas turbine engine exhaust gas was analyzed by Gas Chromatography-Mass Spectroscopy to determine the primary constituent unburnt hydrocarbon (UHC) species. Their relative proportions were measured with a Flame Ionization Detector (FID). These species are predominantly unsaturated C2 to C6 hydrocarbons. The infrared absorption spectrum of the exhaust gas sample was compared with that of combustion products from a laboratory kerosene burner using a multipass White cell. These were also compared with reference spectra and IR spectra of UHCs obtained non-intrusively from gas turbine engine tests. There are IR spectral band shape differences indicating that the relative proportions of the constituent UHCs in gas turbine exhaust are different from those in a kerosene burner plume.

  20. Emission, distribution and toxicity of polycyclic aromatic hydrocarbons (PAHs) during municipal solid waste (MSW) and coal co-combustion.

    Science.gov (United States)

    Peng, Nana; Li, Yi; Liu, Zhengang; Liu, Tingting; Gai, Chao

    2016-09-15

    Emission and distribution characteristics of polycyclic aromatic hydrocarbons (PAHs) were investigated during municipal solid waste (MSW) and coal combustion alone and MSW/coal blend (MSW weight fraction of 25%) co-combustion within a temperature range of 500°C-900°C. The results showed that for all combustion experiments, flue gas occupied the highest proportion of total PAHs and fly ash contained more high-ring PAHs. Moreover, the 3- and 4-ring PAHs accounted for the majority of total PAHs and Ant or Phe had the highest concentrations. Compared to coal, MSW combustion generated high levels of total PAHs with the range of 111.28μg/g-10,047.22μg/g and had high toxicity equivalent value (TEQ). MSW/coal co-combustion generated the smallest amounts of total PAHs and had the lowest TEQ than MSW and coal combustion alone. Significant synergistic interactions occurred between MSW and coal during co-combustion and the interactions suppressed the formation of PAHs, especially hazardous high-ring PAHs and decreased the TEQ. The present study indicated that the reduction of the yield and toxicity of PAHs can be achieved by co-combustion of MSW and coal.

  1. Polycyclic aromatic hydrocarbon emissions from the combustion of alternative fuels in a gas turbine engine.

    Science.gov (United States)

    Christie, Simon; Raper, David; Lee, David S; Williams, Paul I; Rye, Lucas; Blakey, Simon; Wilson, Chris W; Lobo, Prem; Hagen, Donald; Whitefield, Philip D

    2012-06-01

    We report on the particulate-bound polycyclic aromatic hydrocarbons (PAH) in the exhaust of a test-bed gas turbine engine when powered by Jet A-1 aviation fuel and a number of alternative fuels: Sasol fully synthetic jet fuel (FSJF), Shell gas-to-liquid (GTL) kerosene, and Jet A-1/GTL 50:50 blended kerosene. The concentration of PAH compounds in the exhaust emissions vary greatly between fuels. Combustion of FSJF produces the greatest total concentration of PAH compounds while combustion of GTL produces the least. However, when PAHs in the exhaust sample are measured in terms of the regulatory marker compound benzo[a]pyrene, then all of the alternative fuels emit a lower concentration of PAH in comparison to Jet A-1. Emissions from the combustion of Jet A-1/GTL blended kerosene were found to have a disproportionately low concentration of PAHs and appear to inherit a greater proportion of the GTL emission characteristics than would be expected from volume fraction alone. The data imply the presence of a nonlinear relation between fuel blend composition and the emission of PAH compounds. For each of the fuels, the speciation of PAH compounds present in the exhaust emissions were found to be remarkably similar (R(2) = 0.94-0.62), and the results do provide evidence to support the premise that PAH speciation is to some extent indicative of the emission source. In contrast, no correlation was found between the PAH species present in the fuel with those subsequently emitted in the exhaust. The results strongly suggests that local air quality measured in terms of the particulate-bound PAH burden could be significantly improved by the use of GTL kerosene either blended with or in place of Jet A-1 kerosene.

  2. Polycyclic aromatic hydrocarbons (PAHs) from coal combustion: emissions, analysis, and toxicology.

    Science.gov (United States)

    Liu, Guijian; Niu, Zhiyuan; Van Niekerk, Daniel; Xue, Jian; Zheng, Liugen

    2008-01-01

    Coal may become more important as an energy source in the 21st century, and coal contains large quantities of organic and inorganic matter. When coal burns chemical and physical changes take place, and many toxic compounds are formed and emitted. Polycyclic aromatic hydrocarbons (PAHs) are among those compounds formed and are considered to pose potential health hazards because some PAHs are known carcinogens. Based on their toxicology, 16 PAHs are considered as priority pollutants by the USEPA. More attention must be given to the various methods of extraction and analysis of PAH from coal or coal products to accurately explain and determine the species of PAHs. The influences of the extraction time, solvents, and methods for PAH identification are important. In the future, more methods and influences will be studied more carefully and widely. PAHs are environmental pollutants, are highly lipid soluble, and can be absorbed by the lungs, gut, and skin of mammals because they are associated with fine particles from coal combustion. More attention is being given to PAHs because of their carcinogenic and mutagenic action. We suggest that when using a coal stove indoors, a chimney should be used; the particles and gas containing PAHs should be released outdoors to reduce the health hazard, especially in Southwest China. During coal utilization processes, such as coal combustion and pyrolysis, PAHs released may be divided into two categories according to their formation pathways: one pathway is derived from complex chemical reactions and the other is from free PAHs transferred from the original coal. The formation and emission of PAHs is a complex physical and chemical process that has received considerable attention in recent years. It is suggested that the formation mechanisms of PAHs will be an increasingly important topic for researchers to find methods for controlling emissions during coal combustion.

  3. Emission of polycyclic aromatic hydrocarbons from coal and sewage sludge co-combustion in a drop tube furnace.

    Science.gov (United States)

    Han, Jun; Qin, Linbo; Ye, Wei; Li, Yuqi; Liu, Long; Wang, Hao; Yao, Hong

    2012-09-01

    The emission characteristics of polycyclic aromatic hydrocarbons (PAHs) during coal and sewage sludge co-combustion were investigated in a laboratory-scale drop tube furnace. The experimental results demonstrated that coal and sewage sludge co-combustion was beneficial in reducing PAH emissions and PAH toxic equivalent (TEQ) concentrations. Meanwhile, the five-ring PAHs were the main contributor in reducing the concentration of PAHs and TEQ. Moreover, the two- and five-ring PAH concentrations decreased as the mass fraction of sewage sludge in the mixture increased from 0% to 100%. It was also found that PAHs from coal mono-combustion was dominated by the four- and five-ring PAHs. As for the sewage sludge mono-combustion, the three- and four-ring PAHs were the principal components.

  4. Fuel Chemistry And Combustion Distribution Effects On Rocket Engine Combustion Stability

    Science.gov (United States)

    2015-11-19

    model, the D 2 law rate constant for ideal combustion, k0, of a droplet is dependent on the thermal properties of the fuel and oxidizer and is...remaining increase in the D 2 law regression rate constant is caused by the non- ideal conditions of the experiment. Natural convection is present, as...is the gap-averaged pressure. Considering incompressible gas flow (ρ is constant ), two governing equations can be solved for the pressure in the gap

  5. Physicochemical properties of carbon materials obtained by combustion synthesis of perchlorinated hydrocarbons

    Directory of Open Access Journals (Sweden)

    S. Cudziło

    2010-09-01

    Full Text Available We present studies on the combustion synthesis of carbon materials from several perchlorinated organic compounds : tetrachloromethane (CCl4, hexachloroethane (C2Cl6, tetrachloroethylene (C2Cl4, hexachloro-1,3-butadiene (C4Cl6, hexachlorocyclopentadiene (C5Cl6. The porosity (obtained by low-temperature nitrogen adsorption, microstructure (SEM, structural arrangement (XRD and Raman spectroscopy, surface chemistry (FTIR and electrochemical behavior (cyclic voltammetry of the obtained carbons were investigated. The synthesized materials exhibit an ordered structure similar to carbon black. Their physicochemical properties strongly depended on the structure of the perchlorocarbon precursor. It was found that perchlorinated compounds with unsaturated bonds yielded more amorphous products. The electrochemical properties (e.g. edl capacity depend mainly on the mesopore surface area of the carbonaceous products.

  6. Cyclopentane combustion chemistry. Part I: Mechanism development and computational kinetics

    KAUST Repository

    Rachidi, Mariam El

    2017-06-23

    Cycloalkanes are significant constituents of conventional fossil fuels, in which they are one of the main contributors to soot formation, but also significantly influence the ignition characteristics below ∼900K. This paper discusses the development of a detailed high- and low-temperature oxidation mechanism for cyclopentane, which is an important archetypical cycloalkane. The differences between cyclic and non-cyclic alkane chemistry, and thus the inapplicability of acyclic alkane analogies, required the detailed theoretical investigation of the kinetics of important cyclopentane oxidation reactions as part of the mechanism development. The cyclopentyl+O reaction was investigated at the UCCSD(T)-F12a/cc-pVTZ-F12//M06-2X/6-311++G(d,p) level of theory in a time-dependent master equation framework. Comparisons with analogous cyclohexane or non-cyclic alkane reactions are presented. Our study suggests that beyond accurate quantum chemistry the inclusion of pressure dependence and especially that of formally direct kinetics is crucial even at pressures relevant for practical application.

  7. NATO Advanced Study Institute on Pollutants from Combustion Formation and Impact on Atmospheric Chemistry

    CERN Document Server

    2000-01-01

    This volume is based on the lectures presented at the NATO Advanced Study Institute: (ASI) «Pollutants Formation from Combustion. Formation Mechanisms and Impact on th th Atmospheric Chemistry» held in Maratea, Italy, from 13 to 26 september 1998. Preservation of the environment is of increasing concern in individual countries but also at continental or world scales. The structure of a NATO ASI which involve lecturers and participants of different nationalities was thought as especially well suited to address environmental issues. As combustion is known to substantially contribute to the damaging of the atmosphere, it was natural to concentrate the ASI program on reviewing the currently available knowledge of the formation mechanisms of the main pollutants liberated by combustion systems. In most situations, pollutants are present as trace components and their formation and removal is strongly conditioned by the chemical reactions initiated by fuel consumption. Therefore specific lectures were aimed at defi...

  8. Validation of a Grid Independent Spray Model and Fuel Chemistry Mechanism for Low Temperature Diesel Combustion

    Directory of Open Access Journals (Sweden)

    Takeshi Yoshikawa

    2009-09-01

    Full Text Available Spray and combustion submodels used in a Computational Fluid Dynamics (CFD code, KIVACHEMKIN, were validated for Low Temperature Combustion (LTC in a diesel engine by comparing measured and model predicted fuel spray penetrations, and in-cylinder distributions of OH and soot. The conditions considered were long ignition delay, early and late fuel injection cases. It was found that use of a grid independent spray model, called the GASJET model, with an improved n-heptane chemistry mechanism can well predict the heat release rate, not only of the main combustion stage, but also of the cool flame stage. Additionally, the GASJET model appropriately predicts the distributions of OH and soot in the cylinder even when the resolution of the computational mesh is decreased by half, which significantly reduces the required computational time.

  9. Investigation and Optimization of Biodiesel Chemistry for HCCI Combustion

    Energy Technology Data Exchange (ETDEWEB)

    Bunting, Bruce G. [ORNL; Bunce, Michael [ORNL; Joyce, Blake [ORNL; Crawford, Robert W. [Rincon Ranch Consulting

    2014-06-23

    Over the past 5 years, ORNL has run 95 diesel range fuels in homogene-ous charge compression ignition (HCCI), including 40 bio-diesels and associated diesel fuels in their blending. The bio-diesel blends varied in oxygen content, iodine number, cetane, boiling point distribution, chemical composition, and some contained nitrogen. All fuels were run in an HCCI engine at 1800 rpm, in the power range of 2.5 to 4.5 bar IMEP, using intake air heating for combustion phasing control, and at a compression ratio of 10.6. The engine response to fuel variables has been analyzed statistically. Generally, the engine responded well to fuels with lower nitrogen and oxygen, lower cetane, and lower aromatics. Because of the wide range of fuels combined in the model, it provides only a broad overview of the engine response. It is recommended that data be truncated and re-modeled to obtain finer resolution of engine response to particular fuel variables.

  10. A Combustion Chemistry Analysis of Carbonate Solvents in Li-Ion Batteries

    Energy Technology Data Exchange (ETDEWEB)

    Harris, S J; Timmons, A; Pitz, W J

    2008-11-13

    Under abusive conditions Li-ion batteries can rupture, ejecting electrolyte and other flammable gases. In this paper we consider some of the thermochemical properties of these gases that will determine whether they ignite and how energetically they burn. We show that flames of carbonate solvents are fundamentally less energetic than those of conventional hydrocarbons. An example of this difference is given using a recently developed mechanism for dimethyl carbonate (DMC) combustion, where we show that a diffusion flame burning DMC has only half the peak energy release rate of an analogous propane flame. We find a significant variation among the carbonate solvents in the factors that are important to determining flammability, such as combustion enthalpy and vaporization enthalpy. This result suggests that thermochemical and kinetic factors might well be considered when choosing solvent mixtures.

  11. Combustion performance and heat transfer characterization of LOX/hydrocarbon type propellants

    Science.gov (United States)

    Michel, R. W.

    1983-01-01

    An evaluation liquid oxygen (LOX) and various hydrocarbon fuels as low cost alternative propellants suitable for future space transportation system applications was done. The emphasis was directed toward low earth orbit maneuvering engine and reaction control engine systems. The feasibility of regeneratively cooling an orbit maneuvering thruster was analytically determined over a range of operating conditions from 100 to 1000 psia chamber pressure and 1000 to 10,000-1bF thrust, and specific design points were analyzed in detail for propane, methane, RP-1, ammonia, and ethanol; similar design point studies were performed for a film-cooled reaction control thruster. Heat transfer characteristics of propane were experimentally evaluated in heated tube tests. Forced convection heat transfer coefficients were determined. Seventy-seven hot firing tests were conducted with LOX/propane and LOX/ethanol, for a total duration of nearly 1400 seconds, using both heat sink and water-cooled calorimetric chambers. Combustion performance and stability and gas-side heat transfer characteristics were evaluated.

  12. Development of a Raman spectroscopy technique to detect alternate transportation fuel hydrocarbon intermediates in complex combustion environments.

    Energy Technology Data Exchange (ETDEWEB)

    Ekoto, Isaac W.; Barlow, Robert S.

    2012-12-01

    Spontaneous Raman spectra for important hydrocarbon fuels and combustion intermediates were recorded over a range of low-to-moderate flame temperatures using the multiscalar measurement facility located at Sandia/CA. Recorded spectra were extrapolated to higher flame temperatures and then converted into empirical spectral libraries that can readily be incorporated into existing post-processing analysis models that account for crosstalk from overlapping hydrocarbon channel signal. Performance testing of the developed libraries and reduction methods was conducted through an examination of results from well-characterized laminar reference flames, and was found to provide good agreement. The diagnostic development allows for temporally and spatially resolved flame measurements of speciated hydrocarbon concentrations whose parent is more chemically complex than methane. Such data are needed to validate increasingly complex flame simulations.

  13. Twenty-second symposium (international) on combustion

    Energy Technology Data Exchange (ETDEWEB)

    1989-01-01

    The following research areas were discussed at the symposium: coal combustion: carbon burnout, pyrolysis, furnaces, laboratory-scale combustion, and fluidized bed combustion; combustion-generated particulates: soot inception, growth, and soot formation in diffusion flames; engine combustion; turbulent combustion: flames in vortices, fractals and cellular automations, nonpremixed flames, premixed flames, premixed flame structure, and lifted flames; reaction kinetics: hydrocarbon oxidation, free radical chemistry, unsaturated species, aromatics, and nitrogen compounds/pollutant formation; combustion generated NO/sub x/ and SO/sub x/; fires: flame spread, radiation, characterization, and unsteady flames; Laminar flames: structure, opposed-flow combustion, shape, propagation/extinction, and inhibition, oscillations, microgravity; ignition; detonations; dusts; propellants; diagnostics; combustion of drops, sprays, and dispersions, and slurries. Individual projects are processed separately for the data bases. (CBS)

  14. Interactive computer modeling of combustion chemistry and coalescence-dispersion modeling of turbulent combustion

    Science.gov (United States)

    Pratt, D. T.

    1984-01-01

    An interactive computer code for simulation of a high-intensity turbulent combustor as a single point inhomogeneous stirred reactor was developed from an existing batch processing computer code CDPSR. The interactive CDPSR code was used as a guide for interpretation and direction of DOE-sponsored companion experiments utilizing Xenon tracer with optical laser diagnostic techniques to experimentally determine the appropriate mixing frequency, and for validation of CDPSR as a mixing-chemistry model for a laboratory jet-stirred reactor. The coalescence-dispersion model for finite rate mixing was incorporated into an existing interactive code AVCO-MARK I, to enable simulation of a combustor as a modular array of stirred flow and plug flow elements, each having a prescribed finite mixing frequency, or axial distribution of mixing frequency, as appropriate. Further increase the speed and reliability of the batch kinetics integrator code CREKID was increased by rewriting in vectorized form for execution on a vector or parallel processor, and by incorporating numerical techniques which enhance execution speed by permitting specification of a very low accuracy tolerance.

  15. SIMULATION OF NOx FORMATION IN TURBULENT SWIRLING COMBUSTION USING A USM TURBULENCE-CHEMISTRY MODEL

    Institute of Scientific and Technical Information of China (English)

    周力行; 乔丽; 张健

    2003-01-01

    A unified second-order moment (USM) turbulence-chemistry model for simulating NOx formation in turbulent combustion is proposed.All of correlations,including the correlation of the reaction-rate coefficient fluctuation with the concentration fluctuation,are closed by the transport equations in the same form.This model discards the approximation of series expansion of the exponential function or the approximation of using the product of several 1-D PDF's instead of a joint PDF.It is much simpler than other refined models,such as the PDF transport equation model and the conditional moment closure model.The proposed model is used to simulate methane-air swirling turbulent combustion and NOx formation.The prediction results are in good agreement with the experimental results.

  16. Combustion

    CERN Document Server

    Glassman, Irvin

    1987-01-01

    Combustion, Second Edition focuses on the underlying principles of combustion and covers topics ranging from chemical thermodynamics and flame temperatures to chemical kinetics, detonation, ignition, and oxidation characteristics of fuels. Diffusion flames, flame phenomena in premixed combustible gases, and combustion of nonvolatile fuels are also discussed. This book consists of nine chapters and begins by introducing the reader to heats of reaction and formation, free energy and the equilibrium constants, and flame temperature calculations. The next chapter explores the rates of reactio

  17. Emission factors for carbonaceous particles and polycyclic aromatic hydrocarbons from residential coal combustion in China.

    Science.gov (United States)

    Chen, Yingjun; Sheng, Guoying; Bi, Xinhui; Feng, Yanli; Mai, Bixian; Fu, Jiamo

    2005-03-15

    Emission factors of carbonaceous particles, including black carbon (BC) and organic carbon (OC), and polycyclic aromatic hydrocarbons (PAHs) were determined for five coals, which ranged in maturity from sub-bituminous to anthracite. They were burned in the form of honeycomb briquettes in a residential coalstove, one of the most common fuel/stove combinations in China. Smoke samples were taken through dilution sampling equipment, with a high volume sampler that could simultaneously collect emissions in both particulate and gaseous phases, and a cascade impactor that could segregate particles into six fractions. Particulate BC and OC were analyzed by a thermal-optical method, and PAHs in emissions of both phases were analyzed by GC-MS. Burning of bituminous coals produced the highest emission factors of particulate matter (12.91 g/kg), BC (0.28 g/kg), OC (7.82 g/kg), and 20 PAHs (210.6 mg/kg) on the basis of burned dry ash-free (daf) coal, while the anthracite honeycomb-briquette was the cleanest household coal fuel. The size-segregated results show that more than 94% of the particles were submicron, and calculated mass median aerodynamic diameters (MMAD) of all particles were under 0.3 microm. Based on the coal consumption in the residential sector of China, 290.24 Gg (gigagrams) of particulate matter, 5.36 Gg of BC, 170.33 Gg of OC, and 4.72 Gg of 20 PAHs mass were emitted annually from household honeycomb-briquette burning during 2000. Anthracite coal should be selected preferentially and more advanced burning conditions should be applied in domestic combustion, from the viewpoint of both climate change and adverse health effects.

  18. Effects of methyl group on aromatic hydrocarbons on the nanostructures and oxidative reactivity of combustion-generated soot

    KAUST Repository

    Guerrero Peña, Gerardo D.J.

    2016-07-23

    The substituted and unsubstituted aromatic hydrocarbons, present in transportation fuels such as gasoline and diesel, are thought to be responsible for most of the soot particles produced during their combustion. However, the effects of the substituted alkyl groups on the aromatic hydrocarbons on their sooting tendencies, and on the physical and chemical properties of soot produced from them are not well understood. In this work, the effect of the presence of methyl groups on aromatic hydrocarbons on their sooting propensity, and on the oxidative reactivity, morphology, and chemical composition of soot generated from them in diffusion flames is studied using benzene, toluene, and m-xylene as fuels. Several experimental techniques including high resolution transmission electron microscopy and X-ray diffraction are used to identify the morphological changes in soot, whereas the elemental and thermo-gravimetric analyses, electron energy loss spectroscopy, and Fourier transform infrared spectroscopy are used to study the changes in its chemical properties and reactivity. The activation energies for soot oxidation are calculated at different conversion levels, and a trend in the reactivity of soots from benzene, toluene and m-xylene is reported. It is observed that the sizes of primary particles and graphene-like sheets, and the concentrations of aliphatics and oxygenated groups in soot particles decreased with the addition of methyl group(s) on the aromatic ring. The physicochemical changes in soot are found to support the oxidative reactivity trends. © 2016 The Combustion Institute

  19. Surface Chemistry of Aluminium Alloy Slid against Steel Lubricated by Organic Friction Modifier in Hydrocarbon Oil

    Directory of Open Access Journals (Sweden)

    Ichiro Minami

    2012-01-01

    Full Text Available The lubrication mechanism of aluminium alloy slid against steel was investigated from the standpoint of surface chemistry. Low friction and low wear were observed using glycerol mono-olate in a hydrocarbon as lubricant. Increase in the silicon content in the aluminium alloy during rubbing was observed by surface analyses using (1 Auger electron spectroscopy, (2 scanning electron microscopy along with energy dispersive X-ray spectroscopy, and (3 X-ray photoelectron spectroscopy. Mild removal of the passive state (aluminium oxide from the uppermost surface by the additive during the running-in process was proposed as the lubrication mechanism. The importance of additive chemistry that improves the running-in process was pointed out.

  20. Optimizing Performance of Combustion Chemistry Solvers on Intel's Many Integrated Core (MIC) Architectures

    Energy Technology Data Exchange (ETDEWEB)

    Sitaraman, Hariswaran [National Renewable Energy Laboratory (NREL), Golden, CO (United States); Grout, Ray W [National Renewable Energy Laboratory (NREL), Golden, CO (United States)

    2017-06-09

    This work investigates novel algorithm designs and optimization techniques for restructuring chemistry integrators in zero and multidimensional combustion solvers, which can then be effectively used on the emerging generation of Intel's Many Integrated Core/Xeon Phi processors. These processors offer increased computing performance via large number of lightweight cores at relatively lower clock speeds compared to traditional processors (e.g. Intel Sandybridge/Ivybridge) used in current supercomputers. This style of processor can be productively used for chemistry integrators that form a costly part of computational combustion codes, in spite of their relatively lower clock speeds. Performance commensurate with traditional processors is achieved here through the combination of careful memory layout, exposing multiple levels of fine grain parallelism and through extensive use of vendor supported libraries (Cilk Plus and Math Kernel Libraries). Important optimization techniques for efficient memory usage and vectorization have been identified and quantified. These optimizations resulted in a factor of ~ 3 speed-up using Intel 2013 compiler and ~ 1.5 using Intel 2017 compiler for large chemical mechanisms compared to the unoptimized version on the Intel Xeon Phi. The strategies, especially with respect to memory usage and vectorization, should also be beneficial for general purpose computational fluid dynamics codes.

  1. Large eddy simulation of hydrogen/air scramjet combustion using tabulated thermo-chemistry approach

    Directory of Open Access Journals (Sweden)

    Cao Changmin

    2015-10-01

    Full Text Available Large eddy simulations (LES have been performed to investigate the flow and combustion fields in the scramjet of the German Aerospace Center (DLR. Turbulent combustion is modeled by the tabulated thermo-chemistry approach in combination with the presumed probability density function (PDF. A β-function is used to model the distribution of the mixture fraction, while two different PDFs, δ-function (Model I and β-function (Model II, are applied to model the reaction progress. Temperature is obtained by solving filtered energy transport equation and the reaction rate of the progress variable is rescaled by pressure to consider the effects of compressibility. The adaptive mesh refinement (AMR technique is used to properly capture shock waves, boundary layers, shear layers and flame structures. Statistical results of temperature and velocity predicted by Model II show better accuracy than that predicted by Model I. The results of scatter points and mixture fraction-conditional variables indicate the significant differences between Model I and Model II. It is concluded that second moment information in the presumed PDF of the reaction progress is very important in the simulation of supersonic combustion. It is also found that an unstable flame with extinction and ignition develops in the shear layers of bluff body and a fuel-rich partially premixed flame stabilizes in the central recirculation bubble.

  2. Large eddy simulation of hydrogen/air scramjet combustion using tabulated thermo-chemistry approach

    Institute of Scientific and Technical Information of China (English)

    Cao Changmin; Ye Taohong; Zhao Majie

    2015-01-01

    Large eddy simulations (LES) have been performed to investigate the flow and combus-tion fields in the scramjet of the German Aerospace Center (DLR). Turbulent combustion is mod-eled by the tabulated thermo-chemistry approach in combination with the presumed probability density function (PDF). A b-function is used to model the distribution of the mixture fraction, while two different PDFs, d-function (Model I) and b-function (Model II), are applied to model the reaction progress. Temperature is obtained by solving filtered energy transport equation and the reaction rate of the progress variable is rescaled by pressure to consider the effects of compressibil-ity. The adaptive mesh refinement (AMR) technique is used to properly capture shock waves, boundary layers, shear layers and flame structures. Statistical results of temperature and velocity predicted by Model II show better accuracy than that predicted by Model I. The results of scatter points and mixture fraction-conditional variables indicate the significant differences between Model I and Model II. It is concluded that second moment information in the presumed PDF of the reaction progress is very important in the simulation of supersonic combustion. It is also found that an unstable flame with extinction and ignition develops in the shear layers of bluff body and a fuel-rich partially premixed flame stabilizes in the central recirculation bubble.

  3. Sensitivity of ozone predictions to biogenic hydrocarbon chemistry and emissions in air quality models

    Energy Technology Data Exchange (ETDEWEB)

    Jang, C.J.; Lo, S.C.Y.; Vukovich, J.; Kasibhatla, P. [MCNC-North Carolina Supercomputing Center, Research Triangle Park, NC (United States)

    1997-12-31

    Over the last decade, there is growing evidence that biogenic hydrocarbons play an important role in regional and urban ozone (O{sub 3}) formation in the United States. As a result, the regulatory guidelines issued by the USEPA require that biogenic emissions be included in photochemical modeling. Significant changes and improvement have also been made for estimating the emissions and chemical reaction rates of biogenic hydrocarbons in air quality models. In this paper the authors examine the sensitivity of ozone predictions to the changes in biogenic hydrocarbon chemistry and emissions and investigate why ozone is sensitive to these changes. They first use a Lagrangian box model, the OZIPR/EKMA model, to examine the differences of O{sub 3} predicted using two sets of chemical mechanisms, the original CB4 mechanism and the updated CB4 mechanism with new isoprene chemistry under various emission scenarios. The results show that in the selected urban case, the updated CB4 mechanism predicted lower O{sub 3} than the original CB4 mechanism because of the lower isoprene incremental reactivity in the updated CB4 mechanism. However, in the selected rural case, the updated CB4 mechanism predicted higher O{sub 3} than the original CB4, which is in contradiction to a recent OTAG study using the updated CB4 mechanism. The Eulerian grid model simulation using the MCNC`s EDSS/MAQSIP system further lends support to the box model results. The grid model simulations show that the updated CB4 mechanism predicts much lower O{sub 3} than the original CB4 mechanism over the areas where significant amount of NO{sub x} is emitted; on the contrary, over the Southeastern US region with high isoprene emission rates, the updated CB4 mechanism predicts much higher O{sub 3}.

  4. Combustion of butanol isomers - A detailed molecular beam mass spectrometry investigation of their flame chemistry

    Energy Technology Data Exchange (ETDEWEB)

    Osswald, Patrick; Gueldenberg, Hanna; Kohse-Hoeinghaus, Katharina [Department of Chemistry, Bielefeld University (Germany); Yang, Bin [National Synchrotron Radiation Laboratory, University of Science and Technology of China, Hefei, Anhui (China); Department of Aerospace and Mechanical Engineering, University of Southern California, Los Angeles, CA (United States); Yuan, Tao; Qi, Fei [National Synchrotron Radiation Laboratory, University of Science and Technology of China, Hefei, Anhui (China)

    2011-01-15

    The combustion chemistry of the four butanol isomers, 1-, 2-, iso- and tert-butanol was studied in flat, premixed, laminar low-pressure (40 mbar) flames of the respective alcohols. Fuel-rich ({phi} = 1.7) butanol-oxygen-(25%)argon flames were investigated using different molecular beam mass spectrometry (MBMS) techniques. Quantitative mole fraction profiles are reported as a function of burner distance. In total, 57 chemical compounds, including radical and isomeric species, have been unambiguously assigned and detected quantitatively in each flame using a combination of vacuum ultraviolet (VUV) photoionization (PI) and electron ionization (EI) MBMS. Synchrotron-based PI-MBMS allowed to separate isomeric combustion intermediates according to their different ionization thresholds. Complementary measurements in the same flames with a high mass-resolution EI-MBMS system provided the exact elementary composition of the involved species. Resulting mole fraction profiles from both instruments are generally in good quantitative agreement. In these flames of the four butanol isomers, temperature, measured by laser-induced fluorescence (LIF) of seeded nitric oxide, and major species profiles are strikingly similar, indicating seemingly analog global combustion behavior. However, significant variations in the intermediate species pool are observed between the fuels and discussed with respect to fuel-specific destruction pathways. As a consequence, different, fuel-specific pollutant emissions may be expected, by both their chemical nature and concentrations. The results reported here are the first of their kind from premixed isomeric butanol flames and are thought to be valuable for improving existing kinetic combustion models. (author)

  5. Combustion performance and heat transfer characterization of LOX/hydrocarbon type propellants, volume 2

    Science.gov (United States)

    Schoenman, L.

    1983-01-01

    A data base which relates candidate design variables, such as injector type, acoustic cavity configuration, chamber length, fuel film-cooling, etc., to operational characteristics such as combustion efficiency, combustion stability, carbon deposition, and chamber gas-side heat flux was generated.

  6. Question of development of industrial chemistry of combustible minerals (from a conference on problems in development of oil chemistry and chemical engineering)

    Energy Technology Data Exchange (ETDEWEB)

    Semenov, L.V.

    1986-04-01

    In conjunction with other scientific associations, the Department of General and Industrial Chemistry in the Soviet Academy of Sciences organized a conference in Zvenigorod in October 1985 which was devoted to the chemistry of coal, shale and oil. A series of papers were presented on the future of hydrogenation catalysis as an cost-effective method of processing coking products, coals, shaley resin, fuel oil and bituminous oil to produce synthetic liquids. Subjects included: the prospects of non-traditional methods of processing solid combustible minerals; heavy catalysis of oil residue and bituminous oils; the current state of coal chemistry in Kuzbass, new methods of coal classification and the production of liquid and chemical products from combustible shale.

  7. A high-pressure plug flow reactor for combustion chemistry investigations

    Science.gov (United States)

    Lu, Zhewen; Cochet, Julien; Leplat, Nicolas; Yang, Yi; Brear, Michael J.

    2017-10-01

    A plug flow reactor (PFR) is built for investigating the oxidation chemistry of fuels at up to 50 bar and 1000 K. These conditions include those corresponding to the low temperature combustion (i.e. the autoignition) that commonly occurs in internal combustion engines. Turbulent flow that approximates ideal, plug flow conditions is established in a quartz tube reactor. The reacting mixture is highly diluted by excess air to reduce the reaction rates for kinetic investigations. A novel mixer design is used to achieve fast mixing of the preheated air and fuel vapour at the reactor entrance, reducing the issue of reaction initialization in kinetic modelling. A water-cooled probe moves along the reactor extracting gases for further analysis. Measurement of the sampled gas temperature uses an extended form of a three-thermocouple method that corrects for radiative heat losses from the thermocouples to the enclosed PFR environment. Investigation of the PFR’s operation is first conducted using non-reacting flows, and then with isooctane oxidation at 900 K and 10 bar. Mixing of the non-reacting temperature and species fields is shown to be rapid. The measured fuel consumption and CO formation are then closely reproduced by kinetic modelling using an extensively validated iso-octane mechanism from the literature and the corrected gas temperature. Together, these results demonstrate the PFR’s utility for chemical kinetic investigations.

  8. Surface chemistry of rare-earth oxide surfaces at ambient conditions: reactions with water and hydrocarbons

    Science.gov (United States)

    Külah, Elçin; Marot, Laurent; Steiner, Roland; Romanyuk, Andriy; Jung, Thomas A.; Wäckerlin, Aneliia; Meyer, Ernst

    2017-01-01

    Rare-earth (RE) oxide surfaces are of significant importance for catalysis and were recently reported to possess intrinsic hydrophobicity. The surface chemistry of these oxides in the low temperature regime, however, remains to a large extent unexplored. The reactions occurring at RE surfaces at room temperature (RT) in real air environment, in particular, in presence of polycyclic aromatic hydrocarbons (PAHs), were not addressed until now. Discovering these reactions would shed light onto intermediate steps occurring in automotive exhaust catalysts before reaching the final high operational temperature and full conversion of organics. Here we first address physical properties of the RE oxide, nitride and fluoride surfaces modified by exposure to ambient air and then we report a room temperature reaction between PAH and RE oxide surfaces, exemplified by tetracene (C18H12) on a Gd2O3. Our study evidences a novel effect – oxidation of higher hydrocarbons at significantly lower temperatures (~300 K) than previously reported (>500 K). The evolution of the surface chemical composition of RE compounds in ambient air is investigated and correlated with the surface wetting. Our surprising results reveal the complex behavior of RE surfaces and motivate follow-up studies of reactions between PAH and catalytic surfaces at the single molecule level. PMID:28327642

  9. Investigation on effect of equivalence ratio and engine speed on homogeneous charge compression ignition combustion using chemistry based CFD code

    Directory of Open Access Journals (Sweden)

    Ghafouri Jafar

    2014-01-01

    Full Text Available Combustion in a large-bore natural gas fuelled diesel engine operating under Homogeneous Charge Compression Ignition mode at various operating conditions is investigated in the present paper. Computational Fluid Dynamics model with integrated chemistry solver is utilized and methane is used as surrogate of natural gas fuel. Detailed chemical kinetics mechanism is used for simulation of methane combustion. The model results are validated using experimental data by Aceves, et al. (2000, conducted on the single cylinder Volvo TD100 engine operating at Homogeneous Charge Compression Ignition conditions. After verification of model predictions using in-cylinder pressure histories, the effect of varying equivalence ratio and engine speed on combustion parameters of the engine is studied. Results indicate that increasing engine speed provides shorter time for combustion at the same equivalence ratio such that at higher engine speeds, with constant equivalence ratio, combustion misfires. At lower engine speed, ignition delay is shortened and combustion advances. It was observed that increasing the equivalence ratio retards the combustion due to compressive heating effect in one of the test cases at lower initial pressure. Peak pressure magnitude is increased at higher equivalence ratios due to higher energy input.

  10. Polycyclic Aromatic Hydrocarbons (PAHs) produced in the combustion of fatty acid alkyl esters from different feedstocks: Quantification, statistical analysis and mechanisms of formation.

    Science.gov (United States)

    Llamas, Alberto; Al-Lal, Ana-María; García-Martínez, María-Jesús; Ortega, Marcelo F; Llamas, Juan F; Lapuerta, Magín; Canoira, Laureano

    2017-05-15

    Polycyclic Aromatic Hydrocarbons (PAHs) are pollutants of concern due to their carcinogenic and mutagenic activity. Their emissions are mainly related with the combustion or pyrolysis of the organic matter, such as in fossil fuels combustion. It is important to characterize PAHs in the combustions of biofuels due to their increasing importance in the actual energetic setting. There is a lot of research focused in PAHs emission due to the combustion in diesel engines; but only few of them have analyzed the effect of raw material and type of alcohol used in the transesterification process. Different raw materials (i.e. animal fat, palm, rapeseed, linseed, peanut, coconut, and soybean oils) have been used for obtaining FAME and FAEE. A method for measuring PAHs generated during combustion in a bomb calorimeter has been developed. Combustion was made at different oxygen pressures and the samples were taken from the bomb after each combustion. Samples were extracted and the PAHs amounts formed during combustion were analyzed by GC-MS. This research shows the statistical relationships among the 16 PAHs of concern, biodiesel composition and oxygen pressure during combustion. Copyright © 2017 Elsevier B.V. All rights reserved.

  11. Improvement of lean combustion characteristics of heavy-hydrocarbon fuels with hydrogen addition; Suiso tenka ni yoru kokyu tanka suisokei nenryo no kihaku nensho no kaizen

    Energy Technology Data Exchange (ETDEWEB)

    Sakai, Y. [Saitama Institute of Technology, Saitama (Japan); Ishizuka, S. [Hiroshima University, Hiroshima (Japan). Faculty of Engineering

    1999-09-25

    The Lewis numbers of lean heavy-hydrocarbon fuels are larger than unity, and hence, their flames are prone to extinction in a shear flow, which occurs in a turbulent combustion. Here, propane is used as a representative fuel of heavy-hydrocarbon fuels because the Lewis number of lean propane/air mixtures is larger than unity, and an attempt to improve its combustion characteristics by hydrogen addition has been made. A tubular flame burner is used to evaluate its improvement, since a rotating, stretched vortex flow is established in the burner. The results show that with' hydrogen addition, the fuel concentration, the flame diameter and the flame temperature at extinction are reduced and its combustion characteristics are improved. However, it is found that the effective equivalence ration at extinction cannot become so small as that of lean methane/air mixture, which has a Lewis number less than unity. (author)

  12. Challenges in simulation of chemical processes in combustion furnaces

    Energy Technology Data Exchange (ETDEWEB)

    Hupa, M.; Kilpinen, P. [Aabo Akademi, Turku (Finland)

    1996-12-31

    The presentation gives an introduction to some of the present issues and problems in treating the complex chemical processes in combustion. The focus is in the coupling of the hydrocarbon combustion process with nitrogen oxide formation and destruction chemistry in practical furnaces or flames. Detailed kinetic modelling based on schemes of elementary reactions are shown to be a useful novel tool for identifying and studying the key reaction paths for nitrogen oxide formation and destruction in various systems. The great importance of the interaction between turbulent mixing and combustion chemistry is demonstrated by the sensitivity of both methane oxidation chemistry and fuel nitrogen conversion chemistry to the reactor and mixing pattern chosen for the kinetic calculations. The fluidized bed combustion (FBC) nitrogen chemistry involves several important heterogeneous reactions. Particularly the char in the bed plays an essential role. Recent research has advanced rapidly and the presentation proposes an overall picture of the fuel nitrogen reaction routes in circulating FBC conditions. (author)

  13. Plasma-Enhanced Combustion of Hydrocarbon Fuels and Fuel Blends Using Nanosecond Pulsed Discharges

    Energy Technology Data Exchange (ETDEWEB)

    Cappelli, Mark; Mungal, M Godfrey

    2014-10-28

    This project had as its goals the study of fundamental physical and chemical processes relevant to the sustained premixed and non-premixed jet ignition/combustion of low grade fuels or fuels under adverse flow conditions using non-equilibrium pulsed nanosecond discharges.

  14. Combustion Characteristics of Hydrocarbon Droplets Induced by Photoignition of Aluminum Nanoparticles (Conference Paper with Briefing Charts)

    Science.gov (United States)

    2017-04-23

    Hydrocarbon Droplets Induced by Photoignition of Aluminum Nanoparticles (Conference Paper with Briefing Charts) John Bennewitz, Alireza Badakhshan, and...droplets has been achieved through photoignition (PI) utilizing sub milligram of aluminum nanoparticles (Al NPs). For diesel fuel, a reliable ignition...Droplets Induced by Photoignition of Aluminum Nanoparticles Alireza Badakhshan1,*, John W. Bennewitz2, Douglas G. Talley3 1Engineering Research

  15. Dispersion modeling of polycyclic aromatic hydrocarbons from combustion of biomass and fossil fuels and production of coke in Tianjin, China

    Energy Technology Data Exchange (ETDEWEB)

    Shu Tao; Xinrong Li; Yu Yang; Raymond M. Coveney, Jr.; Xiaoxia Lu; Haitao Chen; Weiran Shen [Peking University, Beijing (China). Laboratory for Earth Surface Processes, College of Environmental Sciences

    2006-08-01

    A USEPA procedure, ISCLT3 (Industrial Source Complex Long-Term), was applied to model the spatial distribution of polycyclic aromatic hydrocarbons (PAHs) emitted from various sources including coal, petroleum, natural gas, and biomass into the atmosphere of Tianjin, China. Benzo(a)pyrene equivalent concentrations (BaPeq) were calculated for risk assessment. Model results were provisionally validated for concentrations and profiles based on the observed data at two monitoring stations. The dominant emission sources in the area were domestic coal combustion, coke production, and biomass burning. Mainly because of the difference in the emission heights, the contributions of various sources to the average concentrations at receptors differ from proportions emitted. The shares of domestic coal increased from {approximately} 43% at the sources to 56% at the receptors, while the contributions of coking industry decreased from {approximately} 23% at the sources to 7% at the receptors. The spatial distributions of gaseous and particulate PAHs were similar, with higher concentrations occurring within urban districts because of domestic coal combustion. With relatively smaller contributions, the other minor sources had limited influences on the overall spatial distribution. The calculated average BaPeq value in air was 2.54 {+-} 2.87 ng/m{sup 3} on an annual basis. Although only 2.3% of the area in Tianjin exceeded the national standard of 10 ng/m{sup 3}, 41% of the entire population lives within this area. 37 refs., 9 figs.

  16. Dispersion modeling of polycyclic aromatic hydrocarbons from combustion of biomass and fossil fuels and production of coke in Tianjin, China.

    Science.gov (United States)

    Tao, Shu; Li, Xinrong; Yang, Yu; Coveney, Raymond M; Lu, Xiaoxia; Chen, Haitao; Shen, Weiran

    2006-08-01

    A USEPA, procedure, ISCLT3 (Industrial Source Complex Long-Term), was applied to model the spatial distribution of polycyclic aromatic hydrocarbons (PAHs) emitted from various sources including coal, petroleum, natural gas, and biomass into the atmosphere of Tianjin, China. Benzo[a]pyrene equivalent concentrations (BaPeq) were calculated for risk assessment. Model results were provisionally validated for concentrations and profiles based on the observed data at two monitoring stations. The dominant emission sources in the area were domestic coal combustion, coke production, and biomass burning. Mainly because of the difference in the emission heights, the contributions of various sources to the average concentrations at receptors differ from proportions emitted. The shares of domestic coal increased from approximately 43% at the sources to 56% at the receptors, while the contributions of coking industry decreased from approximately 23% at the sources to 7% at the receptors. The spatial distributions of gaseous and particulate PAHs were similar, with higher concentrations occurring within urban districts because of domestic coal combustion. With relatively smaller contributions, the other minor sources had limited influences on the overall spatial distribution. The calculated average BaPeq value in air was 2.54 +/- 2.87 ng/m3 on an annual basis. Although only 2.3% of the area in Tianjin exceeded the national standard of 10 ng/m3, 41% of the entire population lives within this area.

  17. Formation of Combustible Hydrocarbons and H2 during Photocatalytic Decomposition of Various Organic Compounds under Aerated and Deaerated Conditions

    Directory of Open Access Journals (Sweden)

    Sylwia Mozia

    2014-11-01

    Full Text Available A possibility of photocatalytic production of useful aliphatic hydrocarbons and H2 from various organic compounds, including acetic acid, methanol, ethanol and glucose, over Fe-modified TiO2 is discussed. In particular, the influence of the reaction atmosphere (N2, air was investigated. Different gases were identified in the headspace volume of the reactor depending on the substrate. In general, the evolution of the gases was more effective in air compared to a N2 atmosphere. In the presence of air, the gaseous phase contained CO2, CH4 and H2, regardless of the substrate used. Moreover, formation of C2H6 and C3H8 in the case of acetic acid and C2H6 in the case of ethanol was observed. In case of acetic acid and methanol an increase in H2 evolution under aerated conditions was observed. It was concluded that the photocatalytic decomposition of organic compounds with simultaneous generation of combustible hydrocarbons and hydrogen could be a promising method of “green energy” production.

  18. Low and High Temperature Combustion Chemistry of Butanol Isomers in Premixed Flames and Autoignition Systems

    Energy Technology Data Exchange (ETDEWEB)

    Sarathy, S M; Pitz, W J; Westbrook, C K; Mehl, M; Yasunaga, K; Curran, H J; Tsujimura, T; Osswald, P; Kohse-Hoinghaus, K

    2010-12-12

    Butanol is a fuel that has been proposed as a bio-derived alternative to conventional petroleum derived fuels. The structural isomer in traditional 'bio-butanol' fuel is n-butanol, but newer conversion technologies produce iso-butanol as a fuel. In order to better understand the combustion chemistry of bio-butanol, this study presents a comprehensive chemical kinetic model for all the four isomers of butanol (e.g., 1-, 2-, iso- and tert-butanol). The proposed model includes detailed high temperature and low temperature reaction pathways. In this study, the primary experimental validation target for the model is premixed flat low-pressure flame species profiles obtained using molecular beam mass spectrometry (MBMS). The model is also validated against previously published data for premixed flame velocity and n-butanol rapid compression machine and shock tube ignition delay. The agreement with these data sets is reasonably good. The dominant reaction pathways at the various pressures and temperatures studied are elucidated. At low temperature conditions, we found that the reaction of alphahydroxybutyl with O{sub 2} was important in controlling the reactivity of the system, and for correctly predicting C{sub 4} aldehyde profiles in low pressure premixed flames. Enol-keto isomerization reactions assisted by HO{sub 2} were also found to be important in converting enols to aldehydes and ketones in the low pressure premixed flames. In the paper, we describe how the structural features of the four different butanol isomers lead to differences in the combustion properties of each isomer.

  19. Chemical characterization and stable carbon isotopic composition of particulate polycyclic aromatic hydrocarbons issued from combustion of 10 Mediterranean woods

    Directory of Open Access Journals (Sweden)

    A. Guillon

    2012-08-01

    Full Text Available The objectives of this study were to characterize polycyclic aromatic hydrocarbons from particulate matter emitted during wood combustion and to determine, for the first time, the isotopic signature of PAHs from nine wood species and Moroccan coal from the Mediterranean Basin. In order to differentiate sources of particulate-PAHs, molecular and isotopic measurements of PAHs were performed on the set of wood samples for a large panel of compounds. Molecular profiles and diagnostic ratios were measured by gas chromatography coupled with a mass spectrometer (GC/MS and molecular isotopic compositions (δ13C of particulate-PAHs were determined by gas chromatography/combustion/isotope ratio mass spectrometry (GC/C/IRMS. Wood species present similar molecular profiles with benz(aanthracene and chrysene as dominant PAHs, whereas levels of concentrations range from 1.8 to 11.4 mg g−1 OC (sum of PAHs. Diagnostic ratios are consistent with reference ratios from literature but are not sufficient to differentiate the different species of woods. Concerning isotopic methodology, PAH molecular isotopic compositions are specific for each species and contrary to molecular fingerprints, significant variations of δ13C are observed for the panel of PAHs. This work allows differentiating wood combustion from others origins of particulate matter (vehicular exhaust using isotopic measurements (with δ13CPAH = −28.7 to −26.6‰ but also confirms the necessity to investigate source characterisation at the emission in order to help and complete source assessment models. These first results on woodburnings will be useful for the isotopic approach of source tracking.

  20. Chemical characterization and stable carbon isotopic composition of particulate Polycyclic Aromatic Hydrocarbons issued from combustion of 10 Mediterranean woods

    Directory of Open Access Journals (Sweden)

    A. Guillon

    2013-03-01

    Full Text Available The objectives of this study were to characterize polycyclic aromatic hydrocarbons from particulate matter emitted during wood combustion and to determine, for the first time, the isotopic signature of PAHs from nine wood species and Moroccan coal from the Mediterranean Basin. In order to differentiate sources of particulate-PAHs, molecular and isotopic measurements of PAHs were performed on the set of wood samples for a large panel of compounds. Molecular profiles and diagnostic ratios were measured by gas chromatography/mass spectrometry (GC/MS and molecular isotopic compositions (δ13C of particulate-PAHs were determined by gas chromatography/combustion/isotope ratio mass spectrometry (GC/C/IRMS. Wood species present similar molecular profiles with benz(aanthracene and chrysene as dominant PAHs, whereas levels of concentrations range from 1.8 to 11.4 mg g−1 OC (sum of PAHs. Diagnostic ratios are consistent with reference ratios from literature but are not sufficient to differentiate the species of woods. Concerning isotopic methodology, PAH molecular isotopic compositions are specific for each species and contrary to molecular fingerprints, significant variations of δ13C are observed for the panel of PAHs. This work allows differentiating wood combustion (with δ13CPAH = −28.7 to −26.6‰ from others origins of particulate matter (like vehicular exhaust using isotopic measurements but also confirms the necessity to investigate source characterisation at the emission in order to help and complete source assessment models. These first results on woodburnings will be useful for the isotopic approach to source tracking.

  1. Dilution effects on the controlled auto-ignition (CAI) combustion of hydrocarbon and alcohol fuels

    OpenAIRE

    Oakley, A.; Zhao, H.; Ma, T.; Ladommatos, N

    2001-01-01

    Copyright © 2001 SAE International. This paper is posted on this site with permission from SAE International. Further use of this paper is not permitted without permission from SAE This paper presents results from an experimental programme researching the in-cylinder conditions necessary to obtain homogenous CAI (or HCCI) combustion in a 4-stroke engine. The fuels under investigation include three blends of Unleaded Gasoline, a 95 RON Primary Reference Fuel, Methanol, and Ethanol. This wor...

  2. Polycyclic aromatic hydrocarbon and particulate emissions from two-stage combustion of polystyrene: the effect of the primary furnace temperature.

    Science.gov (United States)

    Wang, J; Levendis, Y A; Richter, H; Howard, J B; Carlson, J

    2001-09-01

    A study is presented on laboratory-scale combustion of polystyrene (PS) to identify staged-combustion conditions that minimize emissions. Batch combustion of shredded PS was conducted in fixed beds placed in a bench-scale electrically heated horizontal muffle furnace. In most cases, combustion of the samples occurred by forming gaseous diffusion flames in atmospheric pressure air. The combustion effluent was mixed with additional air, and it was channeled to a second muffle furnace (afterburner) placed in series. Further reactions took place in the secondary furnace at a residence time of 0.7 s. The gas temperature of the primary furnace was varied in the range of 500-1,000 degrees C, while that of the secondary furnace was kept fixed at 1,000 degrees C. Sampling for CO, CO2, O2, soot, and unburned hydrocarbon emissions (volatile and semivolatile, by GC-MS) was performed at the exits of the two furnaces. Results showed that the temperature of the primary furnace, where PS gasifies, is of paramount importance to the formation and subsequent emissions of organic species and soot. Atthe lowesttemperatures explored, mostly styrene oligomers were identified at the outlet of the primary furnace, but they did not survive the treatment in the secondary furnace. The formation and emission of polycyclic aromatic hydrocarbons (PAH) and soot were suppressed. As the temperature in the first furnace was raised, increasing amounts of a wide range of both unsubstituted and substituted PAH containing up to at least seven condensed aromatic rings were detected. A similar trend was observed for total particulate yields. The secondary furnace treatment reduced the yields of total PAH, but it had an ambiguous effect on individual species. While most low molecular mass PAH were reduced in the secondary furnace, concentrations of some larger PAH increased under certain conditions. Thus, care in the selection of operating conditions of both the primary furnace (gasifier/ burner) and the

  3. Understanding the role of multifunctional nanoengineered particulate additives on supercritical pyrolysis and combustion of hydrocarbon fuels/propellants

    Science.gov (United States)

    Sim, Hyung Sub

    This dissertation aims to understand the fundamental effects of colloidal nanostructured materials on the supercritical pyrolysis, injection, ignition, and combustion of hydrocarbon fuels/propellants. As a fuel additive, functionalized graphene sheets (FGS) without or with the decoration of metal catalysts, such as platinum (Pt) or polyoxometalates (POM) nanoparticles, were examined against conventional materials including nanometer sized fumed silica and aluminum particles. Supercritical pyrolysis experiments were performed as a function of temperature, residence time, and particle type, using a high pressure and temperature flow reactor designed to provide isothermal and isobaric flow conditions. Supercritical pyrolysis results showed that the addition of FGS-based particles at a loading concentration of 50 ppmw increased the conversion rates and reduced apparent activation energies for methylcyclohexane (MCH) and n-dodecane (n-C12H26) fuels. For example, conversion rates, and formations of C1-C5 n-alkanes and C2-C6 1-alkenes were significantly increased by 43.5 %, 59.1 %, and 50.0 % for MCH decomposition using FGS 19 (50 ppmw) at a temperature of 820 K and reduced pressure of 1.36. In addition, FGS decorated with 20 wt % Pt (20wt%Pt FGS) at a loading concentration of 50 ppmw exhibited additional enhancement in the conversion rate of n-C12H26 by up to 24.0 % compared to FGS. Especially, FGS-based particles seem to alter initiation mechanisms, which could result in higher hydrogen formation. Hydrogen selectivities for both MCH and n-C12H26 decompositions were observed to increase by nearly a factor of 2 and 10, respectively. Supercritical injection and combustion experiments were conducted using a high pressure and temperature windowed combustion chamber coupled to the flow reactor through a feed system. Supercritical injection/combustion experiments indicated that the presence of a small amount of particles (100 ppmw) in the fuel affected the injection, ignition

  4. Probing combustion chemistry in a miniature shock tube with synchrotron VUV photo ionization mass spectrometry.

    Science.gov (United States)

    Lynch, Patrick T; Troy, Tyler P; Ahmed, Musahid; Tranter, Robert S

    2015-02-17

    Tunable synchrotron-sourced photoionization time-of-flight mass spectrometry (PI-TOF-MS) is an important technique in combustion chemistry, complementing lab-scale electron impact and laser photoionization studies for a wide variety of reactors, typically at low pressure. For high-temperature and high-pressure chemical kinetics studies, the shock tube is the reactor of choice. Extending the benefits of shock tube/TOF-MS research to include synchrotron sourced PI-TOF-MS required a radical reconception of the shock tube. An automated, miniature, high-repetition-rate shock tube was developed and can be used to study high-pressure reactive systems (T > 600 K, P shock waves. In this paper, we present results of a PI-TOF-MS study at the Advanced Light Source at Lawrence Berkeley National Laboratory. Dimethyl ether pyrolysis (2% CH3OCH3/Ar) was observed behind the reflected shock (1400 shock tube studies. The signal levels attained and data throughput rates with this technique are comparable to those with other synchrotron-based PI-TOF-MS reactors, and it is anticipated that this high pressure technique will greatly complement those lower pressure techniques.

  5. Single-step chemistry model and transport coefficient model for hydrogen combustion

    Institute of Scientific and Technical Information of China (English)

    WANG ChangJian; WEN Jennifer; LU ShouXiang; GUO Jin

    2012-01-01

    To satisfy the needs of large-scale hydrogen combustion and explosion simulation,a method is presented to establish single-step chemistry model and transport model for fuel-air mixture.If the reaction formula for hydrogen-air mixture is H2+0.5O2→H2O,the reaction rate model is ω =1.13×1015[H2][O2]exp(-46.37T0/T) mol (cm3 s)-1,and the transport coefficient model is μ=K/Cp=pD=7.0×10-5T 0.7 g (cm s)-1.By using current models and the reference model to simulate steady Zeldovich-von Neumann-Doering (ZND) wave and free-propagating laminar flame,it is found that the results are well agreeable.Additionally,deflagration-to-detonation transition in an obstructed channel was also simulated.The numerical results are also well consistent with the experimental results.These provide a reasonable proof for current method and new models.

  6. Comprehensive Mechanisms for Combustion Chemistry: An Experimental and Numerical Study with Emphasis on Applied Sensitivity Analysis

    Energy Technology Data Exchange (ETDEWEB)

    Dryer, Frederick L.

    2009-04-10

    This project was an integrated experimental/numerical effort to study pyrolysis and oxidation reactions and mechanisms for small-molecule hydrocarbon structures under conditions representative of combustion environments. The experimental aspects of the work were conducted in large-diameter flow reactors, at 0.3 to 18 atm pressure, 500 to 1100 K temperature, and 10-2 to 2 seconds reaction time. Experiments were also conducted to determine reference laminar flame speeds using a premixed laminar stagnation flame experiment and particle image velocimetry, as well as pressurized bomb experiments. Flow reactor data for oxidation experiments include: (1)adiabatic/isothermal species time-histories of a reaction under fixed initial pressure, temperature, and composition; to determine the species present after a fixed reaction time, initial pressure; (2)species distributions with varying initial reaction temperature; (3)perturbations of a well-defined reaction systems (e.g. CO/H2/O2 or H2/O2)by the addition of small amounts of an additive species. Radical scavenging techniques are applied to determine unimolecular decomposition rates from pyrolysis experiments. Laminar flame speed measurements are determined as a function of equivalence ratio, dilution, and unburned gas temperature at 1 atm pressure. Hierarchical, comprehensive mechanistic construction methods were applied to develop detailed kinetic mechanisms which describe the measurements and literature kinetic data. Modeling using well-defined and validated mechanisms for the CO/H2/Oxidant systems and perturbations of oxidation experiments by small amounts of additives were also used to derive absolute reaction rates and to investigate the compatibility of published elementary kinetic and thermochemical information. Numerical tools were developed and applied to assess the importance of individual elementary reactions to the predictive performance of the

  7. Predictions of the product compositions for combustion or gasification of biomass and others hydrocarbons

    Energy Technology Data Exchange (ETDEWEB)

    Rocha, Hendrick Maxil Zarate; Itai, Yuu; Nogueira, Manoel Fernandes Martins; Moraes, Sinfronio Brito; Rocha, Brigida Ramati Pereira da [Universidade Federal do Para (UFPA), Belem, PA (Brazil). Faculdade de Engenharia Mecanica]. E-mails: hendrick@ufpa.br; yuuitai@ufpa.br; mfmn@ufpa.br; sbrito@ufpa.br; brigida@ufpa.br

    2008-07-01

    Processes involving combustion and gasification are object of study of many researchers. To simulate these processes in a detailed way, it is necessary to solve equations for chemical kinetics whose resolution many times is difficult due lack of information in the literature a simples way to bypass tis problem is due the chemical equilibrium. Prediction of the flu gases composition through chemical equilibrium is an important step in the mathematical modelling for gasification and combustion processes. Some free programs exists to solve problems that involve the chemical equilibrium, such as STANJAN, CEA, GASEQ, CANTERA and others.These programs have difficulty for cases involving fuel such as: biomass, vegetable oils, biodiesel, natural gas, etc., because they do not have database with the fuel composition and is hard to supply their HHV and their elementary analysis. In this work, using numeric methods, a program was developed to predict the gases composition on equilibrium after combustion and gasification processes with the for constant pressure or volume. In the program the chemical formula of the fuel is defined as C{sub x}H{sub y}O{sub z}N{sub w}S{sub v}A{sub u} that reacts with an gaseous oxidizer composed by O{sub 2}, N{sub 2}, Ar, He, CO{sub 2} e H{sub 2}O to have as final result the composition of the products CO{sub 2}, CO, H{sub 2}O, H{sub 2}, H, OH, O{sub 2}, O, N{sub 2}, NO, SO{sub 2}, CH{sub 4}, Ar, He, and ash. To verify the accuracy of the calculated values, it was compared with the program CEA (developed by NASA) and with experimental data obtained from literature. (author)

  8. Combustion efficiency and altitude operational limits of three liquid hydrocarbon fuels having high volumetric energy content in a J33 single combustor

    Science.gov (United States)

    Stricker, Edward G

    1950-01-01

    Combustion efficiency and altitude operational limits were determined in a J33 single combustor for AN-F-58 fuel and three liquid hydrocarbon fuels having high volumetric energy content (decalin, tetralin, and monomethylnaphthalene) at simulated altitude and combustor inlet-air conditions. At the conditions investigated, the combustion efficiency for the four fuels generally decreased with an increase in volumetric energy content. The altitude operational limits for decalin and tetralin fuels were higher than for AN-F-58 fuel; monomethylnaphthalene fuel gave the lowest altitude operational limit.

  9. Combustion Chemistry of Biodiesel for the Use in Urban Transport Buses: Experiment and Modeling

    Science.gov (United States)

    Omidvarborna, Hamid

    Biofuels, such as biodiesel, offer benefits as a possible alternative to conventional fuels due to their fuel source sustainability and their reduced environmental impact. Before they can be used, it is essential to understand their combustion chemistry and emission characterizations due to a number of issues associated with them (e.g., high emission of nitrogen oxides (NOx), lower heating value than diesel, etc.). During this study, emission characterizations of different biodiesel blends (B0, B20, B50, and B100) were measured on three different feedstocks (soybean methyl ester (SME), tallow oil (TO), and waste cooking oil (WCO)) with various characteristics, while an ultra-low sulfur diesel (ULSD) was used as base fuel at low-temperature combustion (LTC). A laboratory combustion chamber was used to analyze soot formation, NOx emissions, while real engine emissions were measured for further investigation on PM and NOx emissions. For further study, carbon emissions (CO, CO 2, and CH4) were also measured to understand their relations with feedstocks' type. The emissions were correlated with fuel's characteristics, especially unsaturation degree (number of double bonds in methyl esters) and chain length (oxygen-to-carbon ratio). The experimental results obtained from laboratory experiments were confirmed by field experiments (real engines) collected from Toledo area regional transit authority (TARTA) buses. Combustion analysis results showed that the neat biodiesel fuels had longer ignition delays and lower ignition temperatures compared to ULSD at the tested condition. The results showed that biodiesel containing more unsaturated fatty acids emitted higher levels of NOx compared to biodiesel with more saturated fatty acids. A paired t-test on fuels showed that neat biodiesel fuels had significant reduction in the formation of NOx compared with ULSD. In another part of this study, biodiesel fuel with a high degree of unsaturation and high portion of long chains of

  10. Thermal decomposition of selected chlorinated hydrocarbons during gas combustion in fluidized bed

    Directory of Open Access Journals (Sweden)

    Olek Malgorzata

    2013-01-01

    Full Text Available Abstract Background The process of thermal decomposition of dichloromethane (DCM and chlorobenzene (MCB during the combustion in an inert, bubbling fluidized bed, supported by LPG as auxiliary fuel, have been studied. The concentration profiles of C6H5CI, CH2Cl2, CO2, CO, NOx, COCl2, CHCl3, CH3Cl, C2H2, C6H6, CH4 in the flue gases were specified versus mean bed temperature. Results The role of preheating of gaseous mixture in fluidized bed prior to its ignition inside bubbles was identified as important factor for increase the degree of conversion of DCM and MCB in low bed temperature, in comparison to similar process in the tubular reactor. Conclusions Taking into account possible combustion mechanisms, it was identified that autoignition in bubbles rather than flame propagation between bubbles is needed to achieve complete destruction of DCM and MCB. These condition occurs above 900°C causing the degree of conversion of chlorine compounds of 92-100%.

  11. Heavy Metals and Polycyclic Aromatic Hydrocarbons in Urban Leaf Litter Designated for Combustion

    Directory of Open Access Journals (Sweden)

    Meike Nitsche

    2017-03-01

    Full Text Available Vast amounts of leaf litter have to be disposed of by city administrations. This biomass has the potential for energy conversion, but contamination with pollutants can adversely affect this usage. We investigated leaf litter samples from the city of Kassel by analyzing their heavy metal and polycyclic aromatic hydrocarbon (PAH concentrations. Leaf samples were indeed contaminated with heavy metals and PAHs and contamination was influenced by provenience and collection technique. A simple cleaning system of washing and subsequent mechanical dewatering significantly reduced heavy metal concentration. Regression models were developed for contamination with heavy metals which showed that contamination could be successfully estimated using the total ash content of the sample as a predictor, with an R2 of up to 0.77. It can be concluded that leaf litter from cities is a possible feedstock for energetic conversion, provided a cleaning step is applied.

  12. Nonmethane hydrocarbons at Pico Mountain, Azores: 1. Oxidation chemistry in the North Atlantic region

    Science.gov (United States)

    Helmig, D.; Tanner, D. M.; Honrath, R. E.; Owen, R. C.; Parrish, D. D.

    2008-10-01

    Measurements of nonmethane hydrocarbons (NMHC) at the Pico Mountain observatory at 2225 m asl on Pico Island, Azores, Portugal, from August 2004 to August 2005 (in part overlapping with the field campaign of the International Consortium on Atmospheric Research on Transport and Transformation study) were used to investigate NMHC sources and seasonal oxidation chemistry in the central North Atlantic region. Levels of anthropogenic NMHC were characteristic of the marine free troposphere. Their concentrations were low compared to continental sites at higher northern latitudes, but higher than data reported from a similarly located Pacific mountain site at Mauna Loa Observatory, Hawaii. These higher NMHC levels are indicative of a greater influence of the adjacent continents on air composition at Pico. Substantially enhanced NMHC concentrations during the summers of 2004 and 2005 were attributed to long-range transport of biomass burning plumes originating from fires in northern Canada, Alaska, and Siberia. This finding exemplifies the continuing impact of biomass burning plumes on atmospheric composition and chemistry many days downwind of these emission sources. Seasonal cycles with lower NMHC concentrations and lower ratios of more reactive to less reactive NMHC during summer reflect the higher degree of photochemical processing occurring during transport. The NMHC concentrations indicate no significant role of chlorine atom oxidation on NMHC. Ozone above 35 ppbv was measured at Pico Mountain throughout all seasons. Enhanced ozone levels were observed in air that had relatively "fresh" photochemical signatures (e.g., ln [propane]/[ethane] > -2.5). During spring-summer air that was more processed ("older" air with ln [propane]/[ethane] < -2.5) on average had lower ozone levels (down to <20 ppbv). This relationship indicates that conditions in the lower free troposphere over the mid-North Atlantic during the spring and summer lead to net photochemical ozone destruction

  13. Research on In-situ Combustion Chemistry Mechanism%火烧油层化学机理研究

    Institute of Scientific and Technical Information of China (English)

    韩冠永; 刘永建; 耿志刚

    2015-01-01

    研究火烧油层化学机理,是为了改善火烧油层燃烧性能参数,而认识火烧油层技术最直接、最有效的研究手段之一是物理模拟实验,所以,借助火烧油层物理模拟实验来开展火烧油层化学机理及其改善方法研究是行之有效的。火烧油层复杂的化学机理使得火驱工艺过程的复杂性大大增加,对火烧油层化学反应的定性及定量分析是完善和发展火驱采油技术的基本途径。%In-situ combustion chemistry mechanism was studied in order to improve the combustion performance parameters of fire flooding. One of the most direct and effective research methods to understand the technology of fire flooding technology is the physical simulation experiment. The complex chemical mechanism of in-situ combustion makes the complexity of fire flooding process greatly increase. The basic way to improve and develop the technology of the fire flooding oil recovery is the qualitative and quantitative analysis of in-situ combustion chemical reaction.

  14. Study of the Radical Chain Mechanism of Hydrocarbon Oxidation for In Situ Combustion Process

    Directory of Open Access Journals (Sweden)

    Alexandra Ushakova

    2017-01-01

    Full Text Available Despite the abundance of in situ combustion models of oil oxidation, many of the effects are still beyond consideration. For example, until now, initial stages of oxidation were not considered from a position of radical chain process. This is a serious difficulty for the simulation of oil recovery process that involves air injection. To investigate the initial stages of oxidation, the paper considers the sequence of chemical reactions, including intermediate short-living compounds and radicals. We have attempted to correlate the main stages of the reaction with areas of heat release observed in the experiments. The system of differential equations based on the equations of oxidation reactions was solved. Time dependence of peroxides formation and start of heat release is analytically derived for the initial stages. We have considered the inhibition of initial oxidation stages by aromatic oil compounds and have studied the induction time in dependence on temperature. Chain ignition criteria for paraffins and crude oil in presence of core samples were obtained. The calculation results are compared with the stages of oxidation that arise by high-pressure differential scanning calorimetry. According to experimental observations we have determined which reactions are important for the process and which can be omitted or combined into one as insignificant.

  15. Combustion kinetics of light hydrocarbons in the presence of nitrogen oxide

    Energy Technology Data Exchange (ETDEWEB)

    Rota, R.; Morbidelli, M.; Carra, S. [Politecnico di Milano (Italy). Dipt. di Chimica Fisica Applicata

    1998-11-01

    An experimental analysis of the interactions between different hydrocarbons and NO is reported. All the experiments have been carried out in a perfectly stirred reactor, operated isothermally in the temperature range 1,050--1,250 K, with stoichiometric ratios ranging between 1.0 and 1.3. It has been found that, close to the higher temperature values investigated, the NO conversion as a function of the stoichiometric ratio shows a maximum around 1.15--1.20, both in the case of pure methane and methane-ethane mixtures in the feed. Moreover, the addition of NO significantly enhances the system reactivity at the lower temperatures investigated. The ethane content in the feed plays a different role depending upon the temperature value considered. At the lowest temperatures investigated the larger the amount of ethane, the higher the NO abatement, while at the higher temperatures the methane-ethane mixtures always show a larger NO conversion than that of pure methane. However, when increasing the ethane content in the feed, the NO conversion decreases. Finally, various detailed kinetic models (with particular reference to that developed by Miller and Bowman) have been discussed and used to interpret the experimental results.

  16. Combustion performance and heat transfer characterization of LOX/hydrocarbon type propellants, volume 1

    Science.gov (United States)

    Michel, R. W.

    1983-01-01

    A program to evaluate liquid oxygen and various hydrocarbon fuel as low cost alternative propellants suitable for future space transportation system applications is discussed. The emphasis of the program is directed toward low earth orbit maneuvering engine and reaction control engine systems. The feasibility of regeneratively cooling an orbit maneuvering thruster was analytically determined over a range of operating conditions from 100 to 1000 psia chamber pressure and 1000 to 10,000-1bF thrust, and specific design points were analyzed in detail for propane, methane, RP-1, ammonia, and ethanol; similar design point studies were performed for a filmcooled reaction control thruster. Heat transfer characteristics of propate were experimentally evaluated in heated tube tests. Forced convection heat transfer coefficients were determined over the range of fluid conditions encompassed by 450 to 1800 psia, -250 to +250 F, and 50 to 150 ft/sec, with wall temperatures from ambient to 1200 F. Seventy-seven hot firing tests were conducted with LOX/propane and LOC/ethanol, for a total duration of nearly 1400 seconds, using both heat sink and water-cooled calorimetric chambers.

  17. Determination of the Heat of Combustion of Biodiesel Using Bomb Calorimetry: A Multidisciplinary Undergraduate Chemistry Experiment

    Science.gov (United States)

    Akers, Stephen M.; Conkle, Jeremy L.; Thomas, Stephanie N.; Rider, Keith B.

    2006-01-01

    Biodiesel was synthesized by transesterification of waste vegetable oil using common glassware and reagents, and characterized by measuring heat of combustion, cloud point, density and measuring the heat of combustion and density together allows the student the energy density of the fuel. Analyzing the biodiesel can serve as a challenging and…

  18. Extension of the ReaxFF Combustion Force Field toward Syngas Combustion and Initial Oxidation Kinetics.

    Science.gov (United States)

    Ashraf, Chowdhury; van Duin, Adri C T

    2017-02-09

    A detailed insight of key reactive events related to oxidation and pyrolysis of hydrocarbon fuels further enhances our understanding of combustion chemistry. Though comprehensive kinetic models are available for smaller hydrocarbons (typically C3 or lower), developing and validating reaction mechanisms for larger hydrocarbons is a daunting task, due to the complexity of their reaction networks. The ReaxFF method provides an attractive computational method to obtain reaction kinetics for complex fuel and fuel mixtures, providing an accuracy approaching ab-initio-based methods but with a significantly lower computational expense. The development of the first ReaxFF combustion force field by Chenoweth et al. (CHO-2008 parameter set) in 2008 has opened new avenues for researchers to investigate combustion chemistry from the atomistic level. In this article, we seek to address two issues with the CHO-2008 ReaxFF description. While the CHO-2008 description has achieved significant popularity for studying large hydrocarbon combustion, it fails to accurately describe the chemistry of small hydrocarbon oxidation, especially conversion of CO2 from CO, which is highly relevant to syngas combustion. Additionally, the CHO-2008 description was obtained faster than expected H abstraction by O2 from hydrocarbons, thus underestimating the oxidation initiation temperature. In this study, we seek to systemically improve the CHO-2008 description and validate it for these cases. Additionally, our aim was to retain the accuracy of the 2008 description for larger hydrocarbons and provide similar quality results. Thus, we expanded the ReaxFF CHO-2008 DFT-based training set by including reactions and transition state structures relevant to the syngas and oxidation initiation pathways and retrained the parameters. To validate the quality of our force field, we performed high-temperature NVT-MD simulations to study oxidation and pyrolysis of four different hydrocarbon fuels, namely, syngas

  19. An investigation on polycyclic aromatic hydrocarbon emissions from pulverized coal combustion systems

    Science.gov (United States)

    Pisupati; Wasco; Scaroni

    2000-05-29

    Results from a series of tests conducted to study the emission of polynuclear or polycyclic aromatic hydrocarbons (PAHs) from bench-scale and small industrial, water-tube boiler are discussed. A Middle Kittanning, and Upper Freeport seam coals were used in the study. Samples were extracted from the reactor outlet and from the inlet and outlet sides of the research boiler's (RB) baghouse using EPA promulgated methods.Only acenaphthene and fluoranthene were detected in down-fired combustor (DFC) samples. In addition to these two, naphthalene was detected in the RB samples. Emission factors ranged from 80 to 320 &mgr;g/kg of fuel fired. Although there were minor trends in the emissions' data, given the reproducibility limits for PAH compounds, no significant differences were found in the emissions with respect to the fuel type or form (pulverized coal (PC) vs. coal-water slurry fuel (CWSF), and raw vs. cleaned coal) and firing conditions (high and low excess air). The PAH emissions showed a decrease with increase in the firing rate.A bench-scale drop-tube reactor (DTR) was used to study the effects of temperature and residence time on PAH formation. The results revealed near constant PAH concentrations in the solid-phase samples, while the PAH concentrations in the vapor-phase samples increased as a function of temperature. At a temperature of around 1300 degrees C, the rate of PAH formation was exceeded by the rate of PAH oxidation, and PAH concentrations in the vapor phase began to decrease.

  20. Improved Recovery Boiler Performance Through Control of Combustion, Sulfur, and Alkali Chemistry

    Energy Technology Data Exchange (ETDEWEB)

    Baxter, Larry L.

    2008-06-09

    This project involved the following objectives: 1. Determine black liquor drying and devolatilization elemental and total mass release rates and yields. 2. Develop a public domain physical/chemical kinetic model of black liquor drop combustion, including new information on drying and devolatilization. 3. Determine mechanisms and rates of sulfur scavenging in recover boilers. 4. Develop non-ideal, public-domain thermochemistry models for alkali salts appropriate for recovery boilers 5. Develop data and a one-dimensional model of a char bed in a recovery boiler. 6. Implement all of the above in comprehensive combustion code and validate effects on boiler performance. 7. Perform gasification modeling in support of INEL and commercial customers. The major accomplishments of this project corresponding to these objectives are as follows: 1. Original data for black liquor and biomass data demonstrate dependencies of particle reactions on particle size, liquor type, gas temperature, and gas composition. A comprehensive particle submodel and corresponding data developed during this project predicts particle drying (including both free and chemisorbed moisture), devolatilization, heterogeneous char oxidation, char-smelt reactions, and smelt oxidation. Data and model predictions agree, without adjustment of parameters, within their respective errors. The work performed under these tasks substantially exceeded the original objectives. 2. A separate model for sulfur scavenging and fume formation in a recovery boiler demonstrated strong dependence on both in-boiler mixing and chemistry. In particular, accurate fume particle size predictions, as determined from both laboratory and field measurements, depend on gas mixing effects in the boilers that lead to substantial particle agglomeration. Sulfur scavenging was quantitatively predicted while particle size required one empirical mixing factor to match data. 3. Condensed-phase thermochemistry algorithms were developed for salt

  1. Formation of Polycyclic Aromatic Hydrocarbons and Nitrogen Containing Polycyclic Aromatic Compounds in Titan's Atmosphere, the Interstellar Medium and Combustion

    Science.gov (United States)

    Landera, Alexander

    2013-12-01

    Several different mechanisms leading to the formation of (substituted) naphthalene and azanaphthalenes were examined using theoretical quantum chemical calculations. As a result, a series of novel synthetic routes to Polycyclic Aromatic Hydrocarbons (PAHs) and Nitrogen Containing Polycyclic Aromatic Compounds (N-PACs) have been proposed. On Earth, these aromatic compounds originate from incomplete combustion and are released into our environment, where they are known to be major pollutants, often with carcinogenic properties. In the atmosphere of a Saturn's moon Titan, these PAH and N-PACs are believed to play a critical role in organic haze formation, as well as acting as chemical precursors to biologically relevant molecules. The theoretical calculations were performed by employing the ab initio G3(MP2,CC)/B3LYP/6-311G** method to effectively probe the Potential Energy Surfaces (PES) relevant to the PAH and N-PAC formation. Following the construction of the PES, Rice-Ramsperger-Kassel-Markus (RRKM) theory was used to evaluate all unimolecular rate constants as a function of collision energy under single-collision conditions. Branching ratios were then evaluated by solving phenomenological rate expressions for the various product concentrations. The most viable pathways to PAH and N-PAC formation were found to be those where the initial attack by the ethynyl (C2H) or cyano (CN) radical toward a unsaturated hydrocarbon molecule led to the formation of an intermediate which could not effectively lose a hydrogen atom. It is not until ring cyclization has occurred, that hydrogen elimination leads to a closed shell product. By quenching the possibility of the initial hydrogen atom elimination, one of the most competitive processes preventing the PAH or N-PAC formation was avoided, and the PAH or N-PAC formation was allowed to proceed. It is concluded that these considerations should be taken into account when attempting to explore any other potential routes towards

  2. Polycyclic aromatic hydrocarbons in smoke used to smoke cheese produced by the combustion of rock rose (Cistus monspeliensis) and tree heather (Erica arborea) wood.

    Science.gov (United States)

    Conde, Francisco J; Ayala, Juan H; Afonso, Ana M; González, Venerando

    2005-01-12

    In this work, the polycyclic aromatic hydrocarbons (PAHs) and their methyl derivatives concentrations have been determined in smoke from the rock rose and tree heather wood combustion. The combustion is done in two types of smokers, kiln and drum, commonly used in the Canary Islands (Spain) to smoke cheese. The low control of the operational conditions justify the great variability of the PAHs concentration in the emissions, with values between 251.8 and 2547 microg/m3N. In general, the lowest concentrations correspond to the tree heather wood combustion in the drum, while the highest concentrations are usually reached in the rock rose wood combustion in the kiln. However, the relative contributions of each PAH to the total concentration are independently similar to the type of smoker and wood used. In the combustion conditions, the equilibrium is not reached during the PAHs distribution process between the gas and aerosol phases. Therefore, while naphthalene and their 1- and 2-methyl derivatives remain in the gas phase, phenanthrene and PAHs with higher molecular weight remain mainly in the aerosol phase. In this phase, the PAHs concentration represents 39.9% of the total PAHs produced by burning rock rose wood and 29.1% of the total PAHs when tree heather wood is used. To establish the carcinogenic potential in both phases, the percentages of some PAHs were calculated. These values are significantly higher in the aerosol phase and, at the same time, higher when rock rose wood is used.

  3. Consequences of unburned hydrocarbons on microstreamer dynamics and chemistry during plasma remediation of NO sub x using dielectric barrier discharges

    CERN Document Server

    Dorai, R

    2003-01-01

    Atmospheric pressure plasmas, and dielectric barrier discharges (DBDs) in particular, are being investigated for their use in the remediation of nitrogen oxides (NO sub x) from automotive exhausts. In their normal mode of operation, DBDs consist of a large density of short-lived filamentary microdischarges. Localized energy deposition results in spatially nonuniform gas temperatures and species densities which initiate advective and diffusive transport. Diesel exhausts, one of the major sources of NO sub x , typically contain unburned hydrocarbons (UHCs) which significantly influence the NO sub x chemistry during plasma remediation. In this paper, we discuss results from a computational investigation of the consequences of UHC chemistry on radial transport dynamics and remediation of NO sub x. In the presence of UHCs, radicals such as O and OH are dominantly consumed in the microstreamer region and their transport to larger radii is reduced. As a result, the conversion of NO to NO sub 2 is mainly restricted t...

  4. Consequences of unburned hydrocarbons on microstreamer dynamics and chemistry during plasma remediation of NOx using dielectric barrier discharges

    Science.gov (United States)

    Dorai, Rajesh; Kushner, Mark J.

    2003-05-01

    Atmospheric pressure plasmas, and dielectric barrier discharges (DBDs) in particular, are being investigated for their use in the remediation of nitrogen oxides (NOx) from automotive exhausts. In their normal mode of operation, DBDs consist of a large density of short-lived filamentary microdischarges. Localized energy deposition results in spatially nonuniform gas temperatures and species densities which initiate advective and diffusive transport. Diesel exhausts, one of the major sources of NOx, typically contain unburned hydrocarbons (UHCs) which significantly influence the NOx chemistry during plasma remediation. In this paper, we discuss results from a computational investigation of the consequences of UHC chemistry on radial transport dynamics and remediation of NOx. In the presence of UHCs, radicals such as O and OH are dominantly consumed in the microstreamer region and their transport to larger radii is reduced. As a result, the conversion of NO to NO2 is mainly restricted to the core of the microstreamer.

  5. Numerical modeling for flame dynamics and combustion processes in a two-sectional porous burner with a detailed chemistry

    Energy Technology Data Exchange (ETDEWEB)

    Shin, Young Jun; Kim, Yong Mo [Hanyang University, Seoul (Korea, Republic of)

    2014-11-15

    A two-dimensional model with the detailed chemistry and variable transport properties has been applied to numerically investigate the combustion processes and flame dynamics in the bilayer porous burner. To account for the velocity transition and diffusion influenced by solid matrix, porosity terms are included in the governing equations. Heat transfer coefficient is calculated by Nusselt number to reflect the effect of gas velocity, pore diameter, and material properties. The detailed chemistry is based on GRI 2.11. Numerical results indicate that the present approach is capable of the essential features of the premixed combustion in the porous media in terms of the precise flame structure, pollutant formation, and stabilization characteristics. In this bilayer porous burner, the heat transferred from the downstream flame zone is conducted to the upstream flame region through the solid matrix. This heat transfer process through the solid matrix substantially influences the flame structure and stabilization characteristics in the porous media. The predicted results are compared with experimental data in terms of temperature for gaseous mixture and solid matrix, CO and NO emission level. Based on numerical results, a precise comparison has been made for the freely propagating premixed flames and the premixed flames with a porous media for various inlet velocities.

  6. Cooperation of the Institute of Industrial Chemistry with a petroleum refinery at Plotska for the purpose of modernizing the technology for producing aromatic hydrocarbons

    Energy Technology Data Exchange (ETDEWEB)

    Tecza, U.; Lisicki, Z.; Manka, S.; Mierzejewski, M.; Prakhmajer, A.

    1982-01-01

    A project of the technological system of a unit for producing aromatic hydrocarbons at a petroleum refinery in Plotska and projects to modernize the technological processes in the production of aromatic hydrocarbons which are related to it is examined. These projects were carried out by colleagues of Institute of Industrial Chemistry (Warsaw) at the plant in 1974-80. They led to intensification of the production of xylenes and to the production of new products.

  7. Terascale High-Fidelity Simulations of Turbulent Combustion with Detailed Chemistry

    Energy Technology Data Exchange (ETDEWEB)

    Im, Hong G [University of Michigan; Trouve, Arnaud [University of Maryland; Rutland, Christopher J [University of Wisconsin; Chen, Jacqueline H [Sandia National Laboratories

    2012-08-13

    The TSTC project is a multi-university collaborative effort to develop a high-fidelity turbulent reacting flow simulation capability utilizing terascale, massively parallel computer technology. The main paradigm of our approach is direct numerical simulation (DNS) featuring highest temporal and spatial accuracy, allowing quantitative observations of the fine-scale physics found in turbulent reacting flows as well as providing a useful tool for development of sub-models needed in device-level simulations. The code named S3D, developed and shared with Chen and coworkers at Sandia National Laboratories, has been enhanced with new numerical algorithms and physical models to provide predictive capabilities for spray dynamics, combustion, and pollutant formation processes in turbulent combustion. Major accomplishments include improved characteristic boundary conditions, fundamental studies of auto-ignition in turbulent stratified reactant mixtures, flame-wall interaction, and turbulent flame extinction by water spray. The overarching scientific issue in our recent investigations is to characterize criticality phenomena (ignition/extinction) in turbulent combustion, thereby developing unified criteria to identify ignition and extinction conditions. The computational development under TSTC has enabled the recent large-scale 3D turbulent combustion simulations conducted at Sandia National Laboratories.

  8. Combustion and explosion processes in physical chemistry and technology of inorganic materials

    Energy Technology Data Exchange (ETDEWEB)

    Merzhanov, Alexander G [Institute of Structural Macrokinetics and Materials Science, Russian Academy of Sciences, Chernogolovka, Moscow Region (Russian Federation)

    2003-04-30

    This review is the first attempt to generalise, in a descriptive-conceptual form, material-synthesising and material-affecting combustion and explosion processes and relevant physicochemical, technological and materials science problems with special emphasis on their practical (technological and industrial) applications.

  9. A Model for Nitrogen Chemistry in Oxy-Fuel Combustion of Pulverized Coal

    DEFF Research Database (Denmark)

    Hashemi, Hamid; Hansen, Stine; Toftegaard, Maja Bøg

    2011-01-01

    involving both char and soot. Here, the tar yield of the volatiles is mainly converted to soot and H2, limiting the concentration of hydrocarbons and thereby the importance of gas-phase removal of NO. Our work emphasizes the need for accurate descriptions of mixing, volatile composition (fate of tar...

  10. The Chemistry Controlling Ignition of Hydrocarbons and Their Mixtures at High Pressure

    Science.gov (United States)

    2002-06-30

    Coefficient Regions”, Masters Thesis, Drexel University, Philadelphia, PA. Billmers , R. I., Aniolek, K. W., Cernansky, N. P., and Miller, D. L. (1999...Atmospheres: Experimental and Modeling”, Combustion and Flame, Vol 118, pp. 415-430. Lenhert, D. B., Billmers , R. I., Cernansky, N. P., and Miller, D...708, presented at The Pittsburgh Conference 2000, New Orleans Convention Center, Session Name: “Chemometrics III”. Billmers , R. I., Emig, M. F

  11. Ab initio Quantum Chemical Reaction Kinetics: Recent Applications in Combustion Chemistry (Briefing Charts)

    Science.gov (United States)

    2015-06-28

    HMX RDX  Recent Works  See Geith et al...Propellants, Explosives, Pyrotechnics, 29, 3 (2004)  ∆Hcomb(DNB) = (5195 ± 300) kJ kg-1 (bomb calorimetry and MP2/cc-pVTZ ∆Hf) cf HMX 9435 & RDX 9560 kJ...kg-1  Vd = 8660 ms-1, cf HMX 9100 & RDX 8750 ms-1  See Geith et al., Combust and Flame, 139, 358 (2004)  Recent synthesis (known since 1898 by

  12. Chemistry in plumes of high-flying aircraft with H2 combustion engines: a modelling study

    Directory of Open Access Journals (Sweden)

    G. Weibring

    Full Text Available Recent discussions on high-speed civil transport (HSCT systems have renewed the interest in the chemistry of supersonic-aircraft plumes. The engines of these aircraft emit large concentrations of radicals like O, H, OH, and NO. In order to study the effect of these species on the composition of the atmosphere, the detailed chemistry of an expanding and cooling plume is examined for different expansion models.

    For a representative flight at 26 km the computed trace gas concentrations do not differ significantly for different models of the expansion behaviour. However, it is shown that the distributions predicted by all these models differ significantly from those adopted in conventional meso-scale and global models in which the plume chemistry is not treated in detail. This applies in particular to the reservoir species HONO and H2O2.

  13. Turbulent combustion modelling of a confined premixed jet flame including heat loss effects using tabulated chemistry

    NARCIS (Netherlands)

    Gövert, S.; Mira, D.; Kok, J.B.W.; Vázquez, M.; Houzeaux, G.

    2015-01-01

    The present work addresses the coupling of a flamelet database, to a low-Mach approximation of the Navier–Stokes equations using scalar controlling variables. The model is characterized by the chemistry tabulation based on laminar premixed flamelets in combination with an optimal choice of the react

  14. Bacterial and human cell mutagenicity study of some C[sub 18]H[sub 10] cyclopenta-fused polycyclic aromatic hydrocarbons associated with fossil fuels combustion

    Energy Technology Data Exchange (ETDEWEB)

    Lafleur, A.L.; Longwell, J.P.; Marr, J.A.; Monchamp, P.A.; Thilly, W.G. (Massachusetts Institute of Technology, Cambridge (United States)); Mulder, P.P.Y.; Boere, B.B.; Cornelisse, J.; Lugtenburg, J. (Univ. of Leiden (Netherlands))

    1993-06-01

    A number of isomeric C[sub 18]H[sub 10] polycyclic aromatic hydrocarbons (PAHs), thought to be primarily cyclopenta-fused PAHs, are produced during the combustion and pyrolysis of fossil fuels. To determine the importance of their contributions to the total mutagenic activity of combustion and pyrolysis samples in which they are found, we characterized reference quantities of four C[sub 18]H[sub 10] CP-PAHs: benzol [ghi] fluoranthene (BF), cyclopenta [cd] pyrene (CPP), cyclopent [hi] acephenanthrylene (CPAP), and cyclopent [hi] acaenthrylene (CPAA). Synthesis of CPAA and CPAP is described. The availability of reference samples of these isomers also proved to be an essential aid in the identification of the C[sub 18]H[sub 10] species often found in combustion and pyrolysis samples. Chemical analysis of selected combustion and pyrolysis samples showed that CPP was generally the most abundant C[sub 18]H[sub 10] isomer, followed by CPAP and BF. CPAA was detected only in pyrolysis products from pure PAHs. We tested the four C[sub 18]H[sub 10] PAHs for mutagenicity in a forward mutation assay using S. typhimurium. CPP, BF, and CPAA were roughly twice as mutagenic as benzo[a]pyrene (BaP), whereas CPAP was only slightly active. These PAHs were also tested for mutagenic activity in human cells. In this assay, CPP and CPAA were strongly mutagenic but less active than BaP, whereas CPAP and BF were inactive at the dose levels tested. Also, the bacterial and human cell mutagenicity of CPAA and CPAP were compared with the mutagenicity of their monocyclopenta-fused analogs, aceanthrylene and acephenanthrylene. Although the mutagenicities of CPAP and acephenanthrylene are similar, the mutagenic activity of CPAA is an order of magnitude greater than that of aceanthrylene.

  15. Biogenic non-methane hydrocarbons (NMHC). Nature`s contribution to regional and global atmospheric chemistry

    Energy Technology Data Exchange (ETDEWEB)

    Klockow, D.; Hoffman, T. [Inst. of Spectrochemistry and Applied Spectroscopy, Dortmund (Germany)

    1995-12-31

    Terrestrial vegetation provides an important source of volatile hydrocarbons, especially isoprene, monoterpenes and in addition possibly sesquiterpenes as well as oxygenated compounds. Although there exist considerable uncertainties in the estimation of the magnitude of these biogenic NMHC emissions, it is generally accepted that the majority of global NMHC release is from natural and not from anthropogenic sources. Taking into consideration the high reactivity of the mostly unsaturated biogenic emissions, their impact on tropospheric processes can be assumed to be of great importance. Together with anthropogenic NO{sub x} emissions, the highly reactive natural alkenes can act as precursors in photochemical oxidant formation and contribute to regional-scale air pollution. Their oxidation in the atmosphere and the subsequent gas-to-particle conversion of the products lead to the formation of organic aerosols. Because of the formation of phytotoxic compounds, the interaction of the biogenic hydrocarbons with ozone inside or outside the leaves and needles of plants has been suggested to play a role in forest decline. (author)

  16. Numerical investigation of high-pressure combustion in rocket engines using Flamelet/Progress-variable models

    CERN Document Server

    Coclite, A; De Palma, P; Pascazio, G

    2015-01-01

    The present paper deals with the numerical study of high pressure LOx/H2 or LOx/hydrocarbon combustion for propulsion systems. The present research effort is driven by the continued interest in achieving low cost, reliable access to space and more recently, by the renewed interest in hypersonic transportation systems capable of reducing time-to-destination. Moreover, combustion at high pressure has been assumed as a key issue to achieve better propulsive performance and lower environmental impact, as long as the replacement of hydrogen with a hydrocarbon, to reduce the costs related to ground operations and increase flexibility. The current work provides a model for the numerical simulation of high- pressure turbulent combustion employing detailed chemistry description, embedded in a RANS equations solver with a Low Reynolds number k-omega turbulence model. The model used to study such a combustion phenomenon is an extension of the standard flamelet-progress-variable (FPV) turbulent combustion model combined ...

  17. On the effects of hydrocarbon and sulphur-containing compounds on the CCN activation of combustion particles

    Directory of Open Access Journals (Sweden)

    A. Petzold

    2005-05-01

    Full Text Available The European PartEmis project (''Measurement and prediction of emissions of aerosols and gaseous precursors from gas turbine engines'' was focussed on the characterisation and quantification of exhaust emissions from a gas turbine engine. A comprehensive suite of aerosol, gas and chemi-ion measurements were conducted under different combustor operating conditions and fuel sulphur concentrations. Combustion aerosol characterisation included on-line measurements of mass and number concentration, size distribution, mixing state, thermal stability of internally mixed particles, hygroscopicity, cloud condensation nuclei (CCN activation potential, and off-line analysis of chemical composition. Modelling of CCN activation of combustion particles was conducted using microphysical and chemical properties obtained from the measurements as input data. Based on this unique data set, the role of sulphuric acid coatings on the combustion particles, formed in the cooling exhaust plume through either direct condensation of gaseous sulphuric acid or coagulation with volatile condensation particles nucleating from gaseous sulphuric acid, and the role of the organic fraction for the CCN activation of combustion particles was investigated. It was found that particles containing a large fraction of non-volatile organic compounds grow significantly less at high relative humidity than particles with a lower content of non-volatile OC. Also the effect of the non-volatile OC fraction on the potential CCN activation is significant. While a coating of water-soluble sulphuric acid increases the potential CCN activation, or lowers the activation diameter, respectively, the non-volatile organic compounds, mainly found at lower combustion temperatures, can partially compensate this sulphuric acid-related enhancement of CCN activation of carbonaceous combustion aerosol particles.

  18. Atmospheric limiting values for complex hydrocarbon-containing mixtures. Pt. 3. Fuels for combustion engines; Luftgrenzwerte fuer komplexe kohlenwasserstoffhaltige Gemische. T. 3. Kraftstoffe fuer Verbrennungsmotoren

    Energy Technology Data Exchange (ETDEWEB)

    Schwarzer, H.G. [Esso AG, Hamburg (Germany)

    1997-06-01

    The justification paper atmospheric limiting values for complex hydrocarbon-containing mixtures, part 3 - ``fuels for combustion engines`` (gasolines, diesel fuel and kerosene) is currently in preparation. This third part gives information on industrial hygiene regarding the different fuels and describes the application of atmospheric limiting values for fuels. The article offers information on industrial hygiene regarding Otto engine fuel and aviation fuel, which needs to be taken into account in discussions concerning the laying down of atmospheric limiting values. (orig./ABI) [Deutsch] Das Begruendungspapier Luftgrenzwerte fuer komplexe kohlenwasserstoffhaltige Gemische Teil 3 `Kraftstoffe fuer Verbrennungsmotoren` (Gasoline, Dieselkraftstoff und Kerosin) ist z.Z. in Vorbereitung. In diesem dritten Teil werden arbeitshygienische Informationen zu den verschiedenen Kraftstoffen gegeben und die Anwendung der Luftgrenzwerte fuer Kraftstoffe beschrieben. Im folgenden werden arbeitshygienische Informationen zu Ottokraftstoff und Avgas gegeben, die es bei den Ueberlegungen hinsichtlich der Festlegung eines Luftgrenzwertes zu beruecksichtigen gilt. (orig./ABI)

  19. THERMOCHEMISTRY OF HYDROCARBON RADICALS

    Energy Technology Data Exchange (ETDEWEB)

    Kent M. Ervin, Principal Investigator

    2004-08-17

    Gas phase negative ion chemistry methods are employed to determine enthalpies of formation of hydrocarbon radicals that are important in combustion processes and to investigate the dynamics of ion-molecule reactions. Using guided ion beam tandem mass spectrometry, we measure collisional threshold energies of endoergic proton transfer and hydrogen atom transfer reactions of hydrocarbon molecules with negative reagent ions. The measured reaction threshold energies for proton transfer yield the relative gas phase acidities. In an alternative methodology, competitive collision-induced dissociation of proton-bound ion-molecule complexes provides accurate gas phase acidities relative to a reference acid. Combined with the electron affinity of the R {center_dot} radical, the gas phase acidity yields the RH bond dissociation energy of the corresponding neutral molecule, or equivalently the enthalpy of formation of the R{center_dot} organic radical, using equation: D(R-H) = {Delta}{sub acid}H(RH) + EA(R) - IE(H). The threshold energy for hydrogen abstraction from a hydrocarbon molecule yields its hydrogen atom affinity relative to the reagent anion, providing the RH bond dissociation energy directly. Electronic structure calculations are used to evaluate the possibility of potential energy barriers or dynamical constrictions along the reaction path, and as input for RRKM and phase space theory calculations. In newer experiments, we have measured the product velocity distributions to obtain additional information on the energetics and dynamics of the reactions.

  20. Parsing pyrogenic polycyclic aromatic hydrocarbons: forensic chemistry, receptor models, and source control policy.

    Science.gov (United States)

    O'Reilly, Kirk T; Pietari, Jaana; Boehm, Paul D

    2014-04-01

    A realistic understanding of contaminant sources is required to set appropriate control policy. Forensic chemical methods can be powerful tools in source characterization and identification, but they require a multiple-lines-of-evidence approach. Atmospheric receptor models, such as the US Environmental Protection Agency (USEPA)'s chemical mass balance (CMB), are increasingly being used to evaluate sources of pyrogenic polycyclic aromatic hydrocarbons (PAHs) in sediments. This paper describes the assumptions underlying receptor models and discusses challenges in complying with these assumptions in practice. Given the variability within, and the similarity among, pyrogenic PAH source types, model outputs are sensitive to specific inputs, and parsing among some source types may not be possible. Although still useful for identifying potential sources, the technical specialist applying these methods must describe both the results and their inherent uncertainties in a way that is understandable to nontechnical policy makers. The authors present an example case study concerning an investigation of a class of parking-lot sealers as a significant source of PAHs in urban sediment. Principal component analysis is used to evaluate published CMB model inputs and outputs. Targeted analyses of 2 areas where bans have been implemented are included. The results do not support the claim that parking-lot sealers are a significant source of PAHs in urban sediments. © 2013 SETAC.

  1. Application of pulsed laser photoacoustic analysis to pollutant chemistry in combustion

    Energy Technology Data Exchange (ETDEWEB)

    Stenberg, J.; Hernberg, R. [Tampere Univ. of Technology (Finland). Physics Dept.

    1994-12-31

    A technique for gas analysis based on pulsed laser induced photoacoustic spectroscopy (LIPS) in the uv and visible is presented. The analysis takes place in a test cell located at the end of a tubular probe and subject to the temperature and pressure prevailing in the combustion process. The instrument response has been calibrated for N{sub 2}O, NO, NO{sub 2}, NH{sub 3}, SO{sub 2} and H{sub 2}S at atmospheric pressure between 20 and 910 deg C. The response of the probe was found to increase with pressure for N{sub 2}O, NO, NH{sub 3} and NO{sub 2} up to 12 bar pressure. Some tests for analyzing a homogeneous, premixed CH{sub 4}/O{sub 2}/HCN/N{sub 2} -flame photoacoustically have been performed at pressures between 1-10 bar and temperatures 800-860 deg C. In these tests the formation of NO and NH{sub 3} was detected in post- flame conditions. OH-radical was detected inside the flame. (orig.)

  2. Ashes from oily sewage sludge combustion: chemistry, mineralogy and leaching properties

    Directory of Open Access Journals (Sweden)

    Róbert Polc

    2016-07-01

    Full Text Available In the current paper the chemical and mineralogical properties of bottom ash and fly ash from oily sewage sludge combustion are investigated. The mineralogical composition and the morphology of ashes were determined by X-ray powder diffraction (XRD in combination with scanning electron microscopy with quantitative energy-dispersive X-ray microanalysis (SEM-EDX. In addition, a leaching test results are presented to shed light on the potential toxicity of studied materials and their impact on the environment is discussed. Both of the studied materials are final products of thermal oxidation at industrial sludge incinerator. This facility aims to sanitary disposal of mechanical and biological sludge from industrial wastewater treatment plant. Bottom ash and fly ash are relatively stable solid products with slightly different chemical and mineralogical composition that reflects their different origin – burning condition in furnace vs. flues gas cleaning technology. Leaching tests of both mentioned materials were implemented under laboratory conditions. The aim of the laboratory tests was to determine the possibility of the pollutants release into the environment. The data presented herein support the importance of detailed mineralogical and geochemical study for the better understanding of the leaching tests. The obtained results showed that both of the sewage sludge ash samples exceed the criteria for accepting waste in landfilles established for Slovakia.

  3. Multigrid Method for Modeling Multi-Dimensional Combustion with Detailed Chemistry

    Science.gov (United States)

    Zheng, Xiaoqing; Liu, Chaoqun; Liao, Changming; Liu, Zhining; McCormick, Steve

    1996-01-01

    A highly accurate and efficient numerical method is developed for modeling 3-D reacting flows with detailed chemistry. A contravariant velocity-based governing system is developed for general curvilinear coordinates to maintain simplicity of the continuity equation and compactness of the discretization stencil. A fully-implicit backward Euler technique and a third-order monotone upwind-biased scheme on a staggered grid are used for the respective temporal and spatial terms. An efficient semi-coarsening multigrid method based on line-distributive relaxation is used as the flow solver. The species equations are solved in a fully coupled way and the chemical reaction source terms are treated implicitly. Example results are shown for a 3-D gas turbine combustor with strong swirling inflows.

  4. Industrial chemistry. Tome 3, combustion and explosion of gaseous mixtures. Course and solved exercises; Chimie industrielle. Tome 3, combustions et explosions des melanges gazeux. Cours et problemes resolus

    Energy Technology Data Exchange (ETDEWEB)

    Lefrancois, B. [Conservatoire National des Arts et Metiers (CNAM), 75 - Paris (France)

    1999-07-01

    This book comprises a course about the combustion and explosion of gaseous mixtures, followed by 12 exercises of application with their solution. The seven chapters of the course deal successively with: 1 - general considerations about combustions and explosions: definitions, chemical equations of combustion, standard combustion and decomposition enthalpies, internal combustion energy, oxygen statement, forecasting of the explosive property, risk assessment; 2 - flame temperatures: adiabatic flame temperatures and complete reactions, adiabatic combustion pressure at constant volume, adiabatic flame temperatures and equilibrium reactions, examples of calculations; 3 - ignition temperatures: measurement (pyrometry), mechanism, delay, variations of ignition temperature, ignition of a gas mixture by adiabatic compression, ignition of a gas mixture by contact with a very hot solid, ignition temperatures and safety; 4 - flammability limits of gaseous mixtures: pure materials in air, flammable gas mixtures, safety; 5 - deflagration in gaseous phase: phenomenon, mechanism, variations of propagation velocities, jamming diameter and distance, deflagration initiated inside a tube with one end closed, deflagration inside a closed cell; 6 - detonation in gaseous phase: phenomenon, general characteristics and mechanism, variations of detonation propagation velocities, limits of detonability, priming of detonations, shock waves and combustion, deflagration primed detonation and pressures profile, comparison between the two types of heterogenous explosions (deflagration and detonation in gases); 7 - atmospheric dispersion: general aspects, Gaussian models, particular cases. (J.S.)

  5. SPATIALLY RESOLVED l-C{sub 3}H{sup +} EMISSION IN THE HORSEHEAD PHOTODISSOCIATION REGION: FURTHER EVIDENCE FOR A TOP-DOWN HYDROCARBON CHEMISTRY

    Energy Technology Data Exchange (ETDEWEB)

    Guzmán, V. V.; Öberg, K. I. [Harvard-Smithsonian Center for Astrophysics, 60 Garden Street, Cambridge, MA 02138 (United States); Pety, J. [Institut de Radioastronomie Millimétrique (IRAM), 300 rue de la Piscine, F-38406 Saint Martin d’Hères (France); Goicoechea, J. R. [Instituto de Ciencia de Materiales de Madrid (CSIC), E-28049 Cantoblanco, Madrid (Spain); Gerin, M. [LERMA, Observatoire de Paris, École Normale Supérieure, PSL Research University, CNRS, UMR8112, F-75014 Paris (France); Roueff, E. [Sorbonne Universités, UPMC Univ. Paris 06, UMR8112, LERMA, F-75005 Paris (France); Gratier, P., E-mail: vguzman@cfa.harvard.edu [Université de Bordeaux, LAB, UMR 5804, F-33270, Floirac (France)

    2015-02-20

    Small hydrocarbons, such as C{sub 2}H, C{sub 3}H, and C{sub 3}H{sub 2} are more abundant in photo-dissociation regions (PDRs) than expected based on gas-phase chemical models. To explore the hydrocarbon chemistry further, we observed a key intermediate species, the hydrocarbon ion l-C{sub 3}H{sup +}, in the Horsehead PDR with the Plateau de Bure Interferometer at high-angular resolution (6″). We compare with previous observations of C{sub 2}H and c-C{sub 3}H{sub 2} at similar angular resolution and new gas-phase chemical model predictions to constrain the dominant formation mechanisms of small hydrocarbons in low-UV flux PDRs. We find that at the peak of the HCO emission (PDR position), the measured l-C{sub 3}H{sup +}, C{sub 2}H, and c-C{sub 3}H{sub 2} abundances are consistent with current gas-phase model predictions. However, in the first PDR layers, at the 7.7 μm polycyclic aromatic hydrocarbon band emission peak, which are more exposed to the radiation field and where the density is lower, the C{sub 2}H and c-C{sub 3}H{sub 2} abundances are underestimated by an order of magnitude. At this position, the l-C{sub 3}H{sup +} abundance is also underpredicted by the model but only by a factor of a few. In addition, contrary to the model predictions, l-C{sub 3}H{sup +} peaks further out in the PDR than the other hydrocarbons, C{sub 2}H and c-C{sub 3}H{sub 2}. This cannot be explained by an excitation effect. Current gas-phase photochemical models thus cannot explain the observed abundances of hydrocarbons, in particular, in the first PDR layers. Our observations are consistent with a top-down hydrocarbon chemistry, in which large polyatomic molecules or small carbonaceous grains are photo-destroyed into smaller hydrocarbon molecules/precursors.

  6. Reconstruction of Biomass Combustion History Using Soot, Char, and Polycyclic Aromatic Hydrocarbons at Linsley Pond, Conn, USA

    Science.gov (United States)

    Yan, B.; Han, Y.; Peteet, D. M.

    2013-12-01

    Biomass burning has become recognized as one of key elements of climate change. The occurrence of fires is a complex function of climate, moisture, vegetation and landscape type. Fires impact environments in multiple ways, e.g., increase in soil erosion, change of vegetation type, and increase in nutrient levels in soils and lakes that receive runoff from burned areas. Sediment cores that contain an archive of deposition of combustion products can help reconstruct the history of past fires. In this study, alkylated PAHs and black carbon (char and soot) were used to explore the paleofire history reflected in a sediment core collected from Linsley Pond, Connecticut (41°18'N, 72 °45'W). Biomass type and combustion levels of these fires and whether they occurred locally or regionally can be derived from these indicators. Such details, together with other paleoenvironmental indicators recorded in sediment cores (e.g., pollen, macrofossils, and LOI) helped unravel the environmental conditions before and after fires. Alkanes, PAHs, alkylated PAHs, and the ratio of soot to char indicate that in the Younger Dryas, fire occurred at a relatively low temperature (i.e. smoldering), followed by an abrupt increase of flaming combustion of softwood (white pine) at the Holocene boundary. Our paleofire data supports the previous interpretations of a shift towards a warm and dry climate in the southern New England region at this time.

  7. Roadside and rooftop measurements of polycyclic aromatic hydrocarbons in PM 2.5 in urban Guangzhou: Evaluation of vehicular and regional combustion source contributions

    Science.gov (United States)

    Gao, Bo; Yu, Jian-Zhen; Li, Shu-Xian; Ding, Xiang; He, Quan-Fu; Wang, Xin-Ming

    2011-12-01

    Concurrent sampling of PM 2.5 aerosol at a roadside of heavy traffic (1.2 m above ground) and on a nearby rooftop (50 m above ground) was conducted at a same location in urban Guangzhou in September, October 2006 and January 2007. The samples were analyzed for eighteen polycyclic aromatic hydrocarbons (PAHs), together with major aerosol constituents and certain organic tracers for vehicular emissions (hopanes) and biomass burning (levoglucosan). Elemental carbon (EC) and hopanes were observed to be lower by 21-38% and 28-84%, respectively, at the rooftop than the roadside, confirming vehicular emissions as a significant local PM source. On the other hand, sulfate showed little vertical gradient, consistent with its secondary origin and its regional characteristics. The roadside-rooftop sample pairs have provided an opportunity in evaluating relative contributions of vehicular emissions and regional sources to ambient PAHs in this urban location. Concentrations of the total PAHs were ˜43% lower at rooftop in the September 2006 samples while they were at similar levels between rooftop and roadside in the October 2006 and January 2007 samples. Sources of PAHs were investigated through comparing ambient data of PAH isomer pairs and PAH/EC ratios with relevant source profiles including those of Guangzhou roadway tunnel emissions, rice straw/sugarcane leave combustion, and industrial coal combustion. The 4-ring PAHs such as pyrene and fluoranthene had a shift in their dominating source from vehicular emissions in September and October to regional combustion source in January. A few major 5- and 6-ring PAHs such as benzo[ghi]perylene and indeno[1,2,3-cd]pyrene were likely heavily influenced by regional biomass burning emissions in all three sampling months. Benzo(a)pyrene-equivalent carcinogenic potency (BaP eq) was calculated to evaluate the cancer risk of carcinogenic PAHs on the public. BaP eq levels in PM 2.5 were significantly higher at the roadside than those at

  8. Low-temperature combustion chemistry of n-butanol: principal oxidation pathways of hydroxybutyl radicals.

    Science.gov (United States)

    Welz, Oliver; Zádor, Judit; Savee, John D; Sheps, Leonid; Osborn, David L; Taatjes, Craig A

    2013-11-21

    Reactions of hydroxybutyl radicals with O2 were investigated by a combination of quantum-chemical calculations and experimental measurements of product formation. In pulsed-photolytic Cl-initiated oxidation of n-butanol, the time-resolved and isomer-specific product concentrations were probed using multiplexed tunable synchrotron photoionization mass spectrometry (MPIMS). The interpretation of the experimental data is underpinned by potential energy surfaces for the reactions of O2 with the four hydroxybutyl isomers (1-hydroxybut-1-yl, 1-hydroxybut-2-yl, 4-hydroxybut-2-yl, and 4-hydroxybut-1-yl) calculated at the CBS-QB3 and RQCISD(T)/cc-pV∞Z//B3LYP/6-311++G(d,p) levels of theory. The observed product yields display substantial temperature dependence, arising from a competition among three fundamental pathways: (1) stabilization of hydroxybutylperoxy radicals, (2) bimolecular product formation in the hydroxybutyl + O2 reactions, and (3) decomposition of hydroxybutyl radicals. The 1-hydroxybut-1-yl + O2 reaction is dominated by direct HO2 elimination from the corresponding peroxy radical forming butanal as the stable coproduct. The chemistry of the other three hydroxybutylperoxy radical isomers mainly proceeds via alcohol-specific internal H-atom abstractions involving the H atom from either the -OH group or from the carbon attached to the -OH group. We observe evidence of the recently reported water elimination pathway (Welz et al. J. Phys. Chem. Lett. 2013, 4 (3), 350-354) from the 4-hydroxybut-2-yl + O2 reaction, supporting its importance in γ-hydroxyalkyl + O2 reactions. Experiments using the 1,1-d2 and 4,4,4-d3 isotopologues of n-butanol suggest the presence of yet unexplored pathways to acetaldehyde.

  9. Investigations of the causes of hydrocarbon emissions in spark ignition engines with homogeneous charge compression ignition (HCCI). A report of the Institute for Internal Combustion Engines and Automotive Engineering, TU Vienna (IVK); Untersuchung der Ursachen fuer Kohlenwasserstoff-Emissionen beim Ottomotor mit homogener Selbstzuendung (HCCI). Bericht des Instituts fuer Verbrennungskraftmaschinen und Kraftfahrzeugbau derTechnischen Universitaet Wien (IVK)

    Energy Technology Data Exchange (ETDEWEB)

    Geringer, B. (ed.) [Technische Univ., Vienna (Austria); Loch, A.

    2007-07-01

    The main aim of research and development in the field of internal combustion engine is to create an engine with low fuel consumption and hence low carbon dioxide emissions to meet future emissions regulations as well as providing a good driving experience. Homogeneous charge compression ignition (HCCI) is an alternative combustion process being currently developed that promises a good fuel consumption rate and low nitrogen oxide emissions for the gasoline engine. The only legally restricted exhaust gas emissions for this combustion process are carbon monoxide (CO) and hydrocarbons (HC). The aim of this research was a better understanding of the causes and sources of hydrocarbon emissions with HCCI using gasoline so as to further reduce hydrocarbon emissions. A description of the HCCI combustion process is followed by a list of the known sources of hydrocarbon emission in conventional gasoline engines and current knowledge of the causes of hydrocarbon emission with HCCI. It is assumed that many of the known causes of hydrocarbon emissions in the conventional gasoline combustion process are the same for HCCI. For this reason, this study focused on combustion and carburation, which is where the combustion processes differ the most. (orig.)

  10. Spatial distribution of polycyclic aromatic hydrocarbons in soil, sediment, and combusted residue at an e-waste processing site in southeast China.

    Science.gov (United States)

    Leung, Anna O W; Cheung, Kwai Chung; Wong, Ming Hung

    2015-06-01

    The environmental pollution and health impacts caused by the primitive and crude recycling of e-waste have become urgent global issues. Guiyu, China is a major hotspot of e-waste recycling. In this study, the levels and distribution of polycyclic aromatic hydrocarbons in soil in Guiyu were determined to investigate the effect of e-waste activities on the environment and to identify possible sources of these pollutants. Sediment samples from a local duck pond, water gullies, a river tributary, and combusted residue from e-waste burning sites were also investigated. The general trend found in soil (Σ16 PAHs) was acid leaching site > duck pond > rice field > printer roller dump site > reservoir (control site) and ranged from 95.2 ± 54.2 to 5,210 ± 89.6 ng/g (dry wt). The highest average total PAH concentrations were found in combusted residues of wires, cables, and other computer electrical components located at two e-waste open burning sites (18,600 and 10,800 ± 3,940 ng/g). These were 195- and 113-fold higher than the PAH concentrations of soil at the control site. Sediment PAH concentrations ranged from 37.2 ± 6 to 534 ± 271 ng/g. Results of this study provide further evidence of significant input of PAHs to the environment attributed to crude e-waste recycling.

  11. Sandia Combustion Research: Technical review

    Energy Technology Data Exchange (ETDEWEB)

    NONE

    1995-07-01

    This report contains reports from research programs conducted at the Sandia Combustion Research Facility. Research is presented under the following topics: laser based diagnostics; combustion chemistry; reacting flow; combustion in engines and commercial burners; coal combustion; and industrial processing. Individual projects were processed separately for entry onto the DOE databases.

  12. Effect of the methyl substitution on the combustion of two methylheptane isomers: Flame chemistry using vacuum-ultraviolet (VUV) photoionization mass spectrometry

    KAUST Repository

    Selim, Hatem

    2015-04-16

    Alkanes with one or more methyl substitutions are commonly found in liquid transportation fuels, so a fundamental investigation of their combustion chemistry is warranted. In the present work, stoichiometric low-pressure (20 Torr) burner-stabilized flat flames of 2-methylheptane and 3-methylheptane were investigated. Flame species were measured via time-of-flight molecular-beam mass spectrometry, with vacuum-ultraviolet (VUV) synchrotron radiation as the ionization source. Mole fractions of major end-products and intermediate species (e.g., alkanes, alkenes, alkynes, aldehydes, and dienes) were quantified axially above the burner surface. Mole fractions of several free radicals were also measured (e.g., CH3, HCO, C2H3, C3H3, and C3H5). Isomers of different species were identified within the reaction pool by an energy scan between 8 and 12 eV at a distance of 2.5 mm away from the burner surface. The role of methyl substitution location on the alkane chain was determined via comparisons of similar species trends obtained from both flames. The results revealed that the change in CH3 position imposed major differences on the combustion of both fuels. Comparison with numerical simulations was performed for kinetic model testing. The results provide a comprehensive set of data about the combustion of both flames, which can enhance the erudition of both fuels combustion chemistry and also improve their chemical kinetic reaction mechanisms. © 2015 American Chemical Society.

  13. Polycyclic aromatic hydrocarbon exposure in household air pollution from solid fuel combustion among the female population of Xuanwei and Fuyuan counties, China.

    Science.gov (United States)

    Downward, George S; Hu, Wei; Rothman, Nat; Reiss, Boris; Wu, Guoping; Wei, Fusheng; Chapman, Robert S; Portengen, Lutzen; Qing, Lan; Vermeulen, Roel

    2014-12-16

    Exposure to polycyclic aromatic hydrocarbons (PAHs) from burning "smoky" (bituminous) coal has been implicated as a cause of the high lung cancer incidence in the counties of Xuanwei and Fuyuan, China. Little is known about variations in PAH exposure from throughout the region nor how fuel source and stove design affects exposure. Indoor and personal PAH exposure resulting from solid fuel combustion in Xuanwei and Fuyuan was investigated using repeated 24 h particle bound and gas-phase PAH measurements, which were collected from 163 female residents of Xuanwei and Fuyuan. 549 particle bound (283 indoor and 266 personal) and 193 gas phase (all personal) PAH measurements were collected. Mixed effect models indicated that PAH exposure was up to 6 times higher when burning smoky coal than smokeless coal and varied by up to a factor of 3 between different smoky coal geographic sources. PAH measurements from unventilated firepits were up to 5 times that of ventilated stoves. Exposure also varied between different room sizes and season of measurement. These findings indicate that PAH exposure is modulated by a variety of factors, including fuel type, coal source, and stove design. These findings may provide valuable insight into potential causes of lung cancer in the area.

  14. Cofiring of difficult fuels: The effect of Ca-based sorbents on the gas chemistry in fluidised bed combustion; Kalsiumpohjaisten lisaeaineiden vaikutus leijukerrospolton kaasukemiaan vaikeiden polttoaineiden sekapoltossa

    Energy Technology Data Exchange (ETDEWEB)

    Aeijaelae, M.; Partanen, J.; Fabritius, M.; Elo, T.; Virta, A.K. [Imatran Voima Oy, Vantaa (Finland)

    1997-10-01

    The objective of this project is to establish the effects of Ca-based sorbents on sulphur, halogen and alkaline chemistry in fluidised bed combustion of difficult fuels, and to find out any restrictions on the use of these sorbents. The aim is to acquire sufficient knowledge to ensure the operational reliability of power plants and to minimise the emissions and costs of flue gas cleaning. The results enable the owner to anticipate necessary changes associated with slagging, fouling and emission control in the existing power plants, when there are plans to increase the range of fuels used. (orig.)

  15. Lectures on combustion theory

    Energy Technology Data Exchange (ETDEWEB)

    Burstein, S.Z.; Lax, P.D.; Sod, G.A. (eds.)

    1978-09-01

    Eleven lectures are presented on mathematical aspects of combustion: fluid dynamics, deflagrations and detonations, chemical kinetics, gas flows, combustion instability, flame spread above solids, spark ignition engines, burning rate of coal particles and hydrocarbon oxidation. Separate abstracts were prepared for three of the lectures. (DLC)

  16. Combustor nozzle for a fuel-flexible combustion system

    Science.gov (United States)

    Haynes, Joel Meier [Niskayuna, NY; Mosbacher, David Matthew [Cohoes, NY; Janssen, Jonathan Sebastian [Troy, NY; Iyer, Venkatraman Ananthakrishnan [Mason, OH

    2011-03-22

    A combustor nozzle is provided. The combustor nozzle includes a first fuel system configured to introduce a syngas fuel into a combustion chamber to enable lean premixed combustion within the combustion chamber and a second fuel system configured to introduce the syngas fuel, or a hydrocarbon fuel, or diluents, or combinations thereof into the combustion chamber to enable diffusion combustion within the combustion chamber.

  17. Using urinary 1-hydroxypyrene concentrations to evaluate polycyclic aromatic hydrocarbon exposure in women using biomass combustion as main energy source.

    Science.gov (United States)

    Ruíz-Vera, Tania; Pruneda-Alvarez, Lucia G; Pérez-Vázquez, Francisco J; Ochoa-Martínez, Angeles C; Orta-García, Sandra T; Ilizaliturri-Hernández, Cesar A; Pérez-Maldonado, Iván N

    2015-01-01

    The use of solid fuels for cooking and heating is likely to be the largest source of indoor air pollution on a global scale. The aim of this study was to investigate the urinary excretion of 1-hydroxypyrene (1-OHP) in women living in a rural community, where biomass combustion is used as main energy source during a working day. The study was performed on urine samples collected in 2012, of 30 healthy women who were residents of a rural community in San Luis Potosi, Mexico. Urine was collected from each woman at three time points (morning, post-lunch and evening) during a working day. The analysis of urinary 1-OHP was performed using high-performance liquid chromatography (HPLC). Also, a health-risk assessment was conducted. The highest levels of 1-OHP in this study were found in the samples taken in the evening (geometric mean ± SD; 0.36 ± 0.13 µg/g creatinine). However, no significant differences among 1-OHP concentrations in the evening and post-lunch samples (0.27 ± 0.10 µg/g creatinine; 0.58 ± 0.67 µg/L) were observed. But, the 1-OHP levels (0.17 ± 0.13 µg/g creatinine; 0.19 ± 0.21 µg/L) found in samples collected in the morning were significantly lower than the 1-OHP levels found in samples collected during post-lunch and evening time. The data shown in this study demonstrated an increment in the exposure levels to PAHs in women across the shift. However, no health risk was found in this study.

  18. Interactive chemistry in the Laboratoire de Météorologie Dynamique general circulation model: model description and impact analysis of biogenic hydrocarbons on tropospheric chemistry

    Directory of Open Access Journals (Sweden)

    G. A. Folberth

    2006-01-01

    Full Text Available We present a description and evaluation of LMDz-INCA, a global three-dimensional chemistry-climate model, pertaining to its recently developed NMHC version. In this substantially extended version of the model a comprehensive representation of the photochemistry of non-methane hydrocarbons (NMHC and volatile organic compounds (VOC from biogenic, anthropogenic, and biomass-burning sources has been included. The tropospheric annual mean methane (9.2 years and methylchloroform (5.5 years chemical lifetimes are well within the range of previous modelling studies and are in excellent agreement with estimates established by means of global observations. The model provides a reasonable simulation of the horizontal and vertical distribution and seasonal cycle of CO and key non-methane VOC, such as acetone, methanol, and formaldehyde as compared to observational data from several ground stations and aircraft campaigns. LMDz-INCA in the NMHC version reproduces tropospheric ozone concentrations fairly well throughout most of the troposphere. The model is applied in several sensitivity studies of the biosphere-atmosphere photochemical feedback. The impact of surface emissions of isoprene, acetone, and methanol is studied. These experiments show a substantial impact of isoprene on tropospheric ozone and carbon monoxide concentrations revealing an increase in surface O3 and CO levels of up to 30 ppbv and 60 ppbv, respectively. Isoprene also appears to significantly impact the global OH distribution resulting in a decrease of the global mean tropospheric OH concentration by approximately 0.7×105 molecules cm-3 or roughly 8% and an increase in the global mean tropospheric methane lifetime by approximately seven months. A global mean ozone net radiative forcing due to the isoprene induced increase in the tropospheric ozone burden of 0.09 W m-2 is found. The key role of isoprene photooxidation in the global tropospheric redistribution of NOx is demonstrated. LMDz

  19. Bridge from mechanical engineering to chemistry. Chair for Combustion Technology; Brug van werktuigbouw naar chemie. Leerstoel Verbrandingstechnologie

    Energy Technology Data Exchange (ETDEWEB)

    Thorborg, L. [ed.

    1998-07-01

    The Groningen University and the Netherlands Gasunie entered into an agreement to cooperate in the research on natural gas combustion. The cooperation results in new research jobs and allows the university access to advanced research facilities of the Gasunie

  20. Les méthodes thermiques de production des hydrocarbures. Chapitre 5 : Combustion "in situ". Pricipes et études de laboratoire Thermal Methods of Hydrocarbon Production. Chapter 5 : "In Situ" Combustion. Principles and Laboratory Research

    Directory of Open Access Journals (Sweden)

    Burger J.

    2006-11-01

    Full Text Available II existe plusieurs variantes de la combustion in situ, suivant le sens de déplacement du front de combustion, à co-courant ou à contre-courant, et suivant la nature des fluides injectés, air seul ou injection combinée d'air et d'eau. Les réactions de pyrolyse, d'oxydation et de combustion mises en jeu par ces techniques sont discutées, en particulier la cinétique des principaux mécanismes réactionnels, l'importance du dépôt de coke et l'exothermicité des réactions d'oxydation et de combustion. Les résultats d'essais de déplacement unidirectionnel du front de combustion dans des cellules de laboratoire sont présentés et discutés. Enfin on indique les conditions pratiques d'application des méthodes de combustion in situ sur champ. Possible variations of in situ combustion technique ore as follows : forward or reverse combustion depending on the relative directions of the air flow and the combustion front, dry combustion if air is the only fluid injected into the oil-bearing formation, or fixe/woter flooding if water is injected along with air. The chemical reactions of pyrolysis, oxidation and combustion involved in these processes are described. The kinetics of these reactions is discussed as well as fuel availability in forward combustion and the exothermicity of the oxidation and combustion reactions. The results obtained in the laboratory when a combustion front propagates in unidirectional adiabatic tells are described and discussed. This type of experimentation provides extensive information on the characteristics of the processes. Screening criteria for the practical application of in situ combustion techniques are presented.

  1. High Temperature Chemical Kinetic Combustion Modeling of Lightly Methylated Alkanes

    Energy Technology Data Exchange (ETDEWEB)

    Sarathy, S M; Westbrook, C K; Pitz, W J; Mehl, M

    2011-03-01

    Conventional petroleum jet and diesel fuels, as well as alternative Fischer-Tropsch (FT) fuels and hydrotreated renewable jet (HRJ) fuels, contain high molecular weight lightly branched alkanes (i.e., methylalkanes) and straight chain alkanes (n-alkanes). Improving the combustion of these fuels in practical applications requires a fundamental understanding of large hydrocarbon combustion chemistry. This research project presents a detailed high temperature chemical kinetic mechanism for n-octane and three lightly branched isomers octane (i.e., 2-methylheptane, 3-methylheptane, and 2,5-dimethylhexane). The model is validated against experimental data from a variety of fundamental combustion devices. This new model is used to show how the location and number of methyl branches affects fuel reactivity including laminar flame speed and species formation.

  2. Forensic chemistry.

    Science.gov (United States)

    Bell, Suzanne

    2009-01-01

    Forensic chemistry is unique among chemical sciences in that its research, practice, and presentation must meet the needs of both the scientific and the legal communities. As such, forensic chemistry research is applied and derivative by nature and design, and it emphasizes metrology (the science of measurement) and validation. Forensic chemistry has moved away from its analytical roots and is incorporating a broader spectrum of chemical sciences. Existing forensic practices are being revisited as the purview of forensic chemistry extends outward from drug analysis and toxicology into such diverse areas as combustion chemistry, materials science, and pattern evidence.

  3. A Dual-Line Detection Rayleigh Scattering Diagnostic Technique for the Combustion of Hydrocarbon Fuels and Filtered UV Rayleigh Scattering for Gas Velocity Measurements

    Science.gov (United States)

    Otugen, M. Volkan

    1997-01-01

    Non-intrusive techniques for the dynamic measurement of gas flow properties such as density, temperature and velocity, are needed in the research leading to the development of new generation high-speed aircraft. Accurate velocity, temperature and density data obtained in ground testing and in-flight measurements can help understand the flow physics leading to transition and turbulence in supersonic, high-altitude flight. Such non-intrusive measurement techniques can also be used to study combustion processes of hydrocarbon fuels in aircraft engines. Reliable, time and space resolved temperature measurements in various combustor configurations can lead to a better understanding of high temperature chemical reaction dynamics thus leading to improved modeling and better prediction of such flows. In view of this, a research program was initiated at Polytechnic University's Aerodynamics Laboratory with support from NASA Lewis Research Center through grants NAG3-1301 and NAG3-1690. The overall objective of this program has been to develop laser-based, non-contact, space- and time-resolved temperature and velocity measurement techniques. In the initial phase of the program a ND:YAG laser-based dual-line Rayleigh scattering technique was developed and tested for the accurate measurement of gas temperature in the presence of background laser glare. Effort was next directed towards the development of a filtered, spectrally-resolved Rayleigh/Mie scattering technique with the objective of developing an interferometric method for time-frozen velocity measurements in high-speed flows utilizing the uv line of an ND:YAG laser and an appropriate molecular absorption filter. This effort included both a search for an appropriate filter material for the 266 nm laser line and the development and testing of several image processing techniques for the fast processing of Fabry-Perot images for velocity and temperature information. Finally, work was also carried out for the development of

  4. Evaluation of the reaction rate constants for the gas-phase Al-CH4-air combustion chemistry

    Science.gov (United States)

    Sharipov, A. S.; Titova, N. S.; Starik, A. M.

    2012-10-01

    The most likely reaction pathways and reaction products in the Al-CH4-O2-N2 system are investigated using density functional theory and ab initio calculations. The B3LYP functional with extended 6-311+G(3df,2p) basis set as well as the CBS-QB3 composite method are mainly utilised. Theoretical analysis of corresponding reaction rate constants is also performed with the use of simple theoretical models. A critical overview of current knowledge on combustion-relevant reactions with aluminium compounds is given. On the basis of critical comparison of available experimental kinetic data with theoretical calculations, the approximations for rate constants for 44 reversible elementary reactions involving Al-containing species are recommended for use in combustion issues.

  5. Processes in petroleum chemistry. Technical and economical characteristics Vol. 1. Synthesis gas and derivatives. Main hydrocarbon intermediaries (2 ed. )

    Energy Technology Data Exchange (ETDEWEB)

    Chauvel, A.; Lefebvre, G.; Castex, L.

    1985-01-01

    The aim of this book is to give rudiments for a preliminary study to outline petrochemical operation and cost estimation. Basic operations are examined: Steam reforming or partial oxidation, steam or thermal cracking and catalytic reforming. The main topics examined include: hydrogen purification, hydrogen fabrication from hydrocarbons, carbonaceous materials or water, production of carbon monoxide, ammoniac synthesis methanol synthesis from synthesis gas, preparation of formol, urea, acetylene and monomers for the preparation of plastics.

  6. Introduction of Differential Scanning Calorimetry in a General Chemistry Laboratory Course: Determination of Thermal Properties of Organic Hydrocarbons

    Science.gov (United States)

    D'Amelia, Ronald; Franks, Thomas; Nirode, William F.

    2007-01-01

    In first-year general chemistry undergraduate courses, thermodynamics and thermal properties such as melting points and changes in enthalpy ([Delta]H) and entropy ([Delta]S) of phase changes are frequently discussed. Typically, classical calorimetric methods of analysis are used to determine [Delta]H of reactions. Differential scanning calorimetry…

  7. Introduction of Differential Scanning Calorimetry in a General Chemistry Laboratory Course: Determination of Thermal Properties of Organic Hydrocarbons

    Science.gov (United States)

    D'Amelia, Ronald; Franks, Thomas; Nirode, William F.

    2007-01-01

    In first-year general chemistry undergraduate courses, thermodynamics and thermal properties such as melting points and changes in enthalpy ([Delta]H) and entropy ([Delta]S) of phase changes are frequently discussed. Typically, classical calorimetric methods of analysis are used to determine [Delta]H of reactions. Differential scanning calorimetry…

  8. High Gravity (g) Combustion

    Science.gov (United States)

    2006-02-01

    required thrust-to-weight ratio goals. Shorter residence times in the combustion chamber may reduce the NOx emissions, but the CO and UHC emissions then...Emissions analyzing equipment is available to detect CO, CO2, NOx, O2, and total unburned hydrocarbons ( UHC ) at the combustor exit plane. Emissions... UHC ) emissions along with the CO data, as seen in Fig. 24, shows that Configuration 1 had much higher UHC levels. The reactions from hydrocarbons to

  9. Control and reduction of NOx emissions on light hydrocarbons combustion in fluidized bed combustors: a technological prospection surveys; Controle e reducao de emissoes de NOx durante queima de hidrocarbonetos leves em combustores a leito fluidizado: um estudo de prospeccao tecnologica

    Energy Technology Data Exchange (ETDEWEB)

    Santos, Douglas Alves; Winter, Eduardo [Instituto Nacional da Propriedade Industrial (INPI), Rio de Janeiro, RJ (Brazil)

    2008-07-01

    The present paper aims a technological prospecting study of the main technological agents involved in industrial light hydrocarbons combustion process. More specifically, the work approaches technologies applied to nitrogen oxides emissions control and reduction. Nitrogen oxides are typically known as 'NOx' (NO, N{sub 2}O, NO{sub 2}). 'NOx' are byproducts from fuel burning in combustion systems, including also in fluidized bed combustion systems. The technological prospecting study employed 'technology foresight' as tool for evaluating the technological perspectives of the thermal generation, basis on environment protection. Such technological perspectives of the thermal generation were evaluated through invention patent documents. The query methodology for obtaining of patent documents employed a free patent base, known as ESPACENET. Additionally, the documents obtained were evaluated, considering beyond the countries and the publication dates, technological perspectives employed to 'NOx' emissions control and reduction. It is very important to highlight around 70% of the industrial technological information are just found in invention patent documents. (author)

  10. A Physics and Tabulated Chemistry Based Compression Ignition Combustion Model: from Chemistry Limited to Mixing Limited Combustion Modes Un modèle de combustion à allumage par compression basé sur la physique et la chimie tabulée : des modes de combustion contrôlés par la chimie jusqu’aux modes contrôlés par le mélange

    Directory of Open Access Journals (Sweden)

    Bordet N.

    2011-11-01

    Full Text Available This paper presents a new 0D phenomenological approach to predict the combustion process in multi injection Diesel engines operated under a large range of running conditions. The aim of this work is to develop a physical approach in order to improve the prediction of in-cylinder pressure and heat release. Main contributions of this study are the modeling of the premixed part of the Diesel combustion with a further extension of the model for multi-injection strategies. In the present model, the rate of heat release due to the combustion for the premixed phase is related to the mean reaction rate of fuel which is evaluated by an approach based on tabulated local reaction rate of fuel and on the determination of the Probability Density Function (PDF of the mixture fraction (Z, in order to take into consideration the local variations of the fuel-air ratio. The shape of the PDF is presumed as a standardized β-function. Mixture fraction fluctuations are described by using a transport equation for the variance of Z. The standard mixture fraction concept established in the case of diffusion flames is here adapted to premixed combustion to describe inhomogeneity of the fuel-air ratio in the control volume. The detailed chemistry is described using a tabulated database for reaction rates and cool flame ignition delay as a function of the progress variable c. The mixing-controlled combustion model is based on the calculation of a characteristic mixing frequency which is a function of the turbulence density, and on the evolution of the available fuel vapor mass in the control volume. The developed combustion model is one sub-model of a thermodynamic model based on the mathematical formulation of the conventional two-zone approach. In addition, an extended sub-model for multi injection is developed to take into account interactions between each spray by describing their impact on the mixture formation. Numerical results from simulations are compared with

  11. Health effects of combustion-generated soot and polycyclic aromatic hydrocarbons. Progress report, May 1, 1979-April 30, 1980. [Lead abstract

    Energy Technology Data Exchange (ETDEWEB)

    Thilly, W. G.

    1980-05-01

    Mutagen studies on soot and soot components are reported in aspects dealing from quantitative chemical analyses of samples and mutagenesis of cells and microorganisms exposed to mutagens, to bioassay developments and techniques. Several polycyclic aromatic hydrocarbons are characterized and discussed.

  12. Comparison, limitations and uncertainty of wet chemistry techniques, loss on ignition and dry combustion in soil organic carbon analysis

    Science.gov (United States)

    Ćirić, Vladimir; Manojlović, Maja; Belić, Milivoj; Nešić, Ljiljana; Švarc-Gajić, Jaroslava; Sitaula, Bishal K.

    2014-05-01

    Soil organic carbon (SOC) has an important role in natural processes (carbon cycle, global climate change and plant growth), agriculture, soil protection and biodiversity. Determination of SOC is usually based on the oxidation of soil organic matter (SOM). Many methods are available, each with advantages and disadvantages in terms of accuracy, costs, convenience and repeatability. Therefore, it is necessary to make a comprehensive overview in order to select appropriate method with the purpose of accurate SOC determination. Most errors in SOC stocks assessment and SOC monitoring occur due to differences in analytical approaches and procedures. This can be a key factor in making incorrect conclusions. The purpose of this research was to compare methods for SOC determination and highlight the strengths and weaknesses of individual methods. The research was conducted on soil samples collected from different soil types and different land uses of temperate region. The concentration of SOC in every sample was determined by the following methods: Tyrin's method, Tyrin's method without addition of AgSO4, Kotzmann's method, loss on ignition (LOI) method, Walkley-Black method, dry combustion by CHN analyzer with pretreatment with HCl and subtraction of volumetrically determined soil inorganic carbon (SIC) from dry combustion by CHN analyzer without pretreatment. Each of the applied methods demonstrated specific limitations. The average SOC concentration determined by different methods ranged from 16.1-28.5 g kg-1. It has been established that different methods for the determination of total SOC recovered 76-157% of SOC compared to the reference dry combustion method by CHN analyzer. The correlation coefficients between applied methods ranged from 0.74-0.98. The Tyrin's method without addition of AgSO4 can be recommended as the most suitable method for the determination of SOC, with mandatory use of the correction factor 1.14. For the purpose of reducing the difference

  13. Homogeneous chemistry of NO/sub x/ production and removal from fossil fuel combustion gases. Final technical report

    Energy Technology Data Exchange (ETDEWEB)

    Silver, J.A.; Gozewski, C.M.; Kolb, C.E.

    1980-11-01

    The reduction of NO/sub x/ emissions from stationary combustion sources by non-catalytic homogeneous chemical addition is a promising technique. Demonstrations in laboratory experiments and on a number of field scale combustors have shown that the addition of ammonia to the exhaust flow significantly reduces the NO concentrations in a narrow temperature range. This report summarizes the work performed to understand the detailed chemical mechanism which makes this reduction occur. A model describing the NH/sub i//NO/sub x/ chemical system is developed, and rates of the key reactions identified are measured in a high temperature fast flow reactor. Product channels for certain important reactions are also identified. The experimental results are incorporated into the computer code, and the model predictions are compared with laboratory and field test results. Possible additives other than ammonia are evaluated and discussed.

  14. Internal combustion engine

    Energy Technology Data Exchange (ETDEWEB)

    Helmich, M.J.; Hoagland, M.C.; Hubbard, R.L.; Schaub, F.S.

    1981-12-22

    A method of combusting natural gas fuel in a two cycle, turbocharged internal combustion engine substantially reduces the production of nitrogen-oxygen emissions. An improved turbocharger design provides increased air charging pressure, produces a controlled lean air/fuel mixture and lowers peak combustion temperatures. A jet cell ignition device ensures uniform, reliable ignition of the lean air/fuel mixture under all operating conditions and the lean air/fuel mixture in turn encourages complete fuel combustion and provides excellent combustion characteristics with methane, ethane and heavier paraffinic hydrocarbon fuels. These structural modifications and adjustment of other operating parameters combine to reduce nitric oxide (NO) and nitrogen dioxide (NO/sub 2/) emissions by as much as 75% while effecting only a negligible increase in fuel consumption.

  15. Wintertime aerosol chemistry and haze evolution in an extremely polluted city of the North China Plain: significant contribution from coal and biomass combustion

    Science.gov (United States)

    Li, Haiyan; Zhang, Qi; Zhang, Qiang; Chen, Chunrong; Wang, Litao; Wei, Zhe; Zhou, Shan; Parworth, Caroline; Zheng, Bo; Canonaco, Francesco; Prévôt, André S. H.; Chen, Ping; Zhang, Hongliang; Wallington, Timothy J.; He, Kebin

    2017-04-01

    The North China Plain (NCP) frequently experiences heavy haze pollution, particularly during wintertime. In winter 2015-2016, the NCP region suffered several extremely severe haze episodes with air pollution red alerts issued in many cities. We have investigated the sources and aerosol evolution processes of the severe pollution episodes in Handan, a typical industrialized city in the NCP region, using real-time measurements from an intensive field campaign during the winter of 2015-2016. The average (±1σ) concentration of submicron aerosol (PM1) during 3 December 2015-5 February 2016 was 187.6 (±137.5) µg m-3, with the hourly maximum reaching 700.8 µg m-3. Organic was the most abundant component, on average accounting for 45 % of total PM1 mass, followed by sulfate (15 %), nitrate (14 %), ammonium (12 %), chloride (9 %) and black carbon (BC, 5 %). Positive matrix factorization (PMF) with the multilinear engine (ME-2) algorithm identified four major organic aerosol (OA) sources, including traffic emissions represented by a hydrocarbon-like OA (HOA, 7 % of total OA), industrial and residential burning of coal represented by a coal combustion OA (CCOA, 29 % of total OA), open and domestic combustion of wood and crop residuals represented by a biomass burning OA (BBOA, 25 % of total OA), and formation of secondary OA (SOA) in the atmosphere represented by an oxygenated OA (OOA, 39 % of total OA). Emissions of primary OA (POA), which together accounted for 61 % of total OA and 27 % of PM1, are a major cause of air pollution during the winter. Our analysis further uncovered that primary emissions from coal combustion and biomass burning together with secondary formation of sulfate (mainly from SO2 emitted by coal combustion) are important driving factors for haze evolution. However, the bulk composition of PM1 showed comparatively small variations between less polluted periods (daily PM2. 5 ≤ 75 µg m-3) and severely polluted periods (daily PM2. 5 > 75 µg m-3

  16. Wintertime aerosol chemistry and haze evolution in an extremely polluted city of North China Plain: significant contribution from coal and biomass combustions

    Science.gov (United States)

    Li, Haiyan; Zhang, Qi; Zhang, Qiang; Chen, Chunrong; Wang, Litao; Wei, Zhe; Zhou, Shan; Parworth, Caroline; Zheng, Bo; Canonaco, Francesco; Prévôt, André; Chen, Ping; Zhang, Hongliang; He, Kebin

    2017-04-01

    The North China Plain (NCP) frequently encountered heavy haze pollution in recent years, particularly during wintertime. In 2015-2016 winter, the NCP region suffered several extremely severe haze episodes with air pollution red alerts issued in many cities. In this work, we investigated the sources and aerosol evolution processes of the severe pollution episodes in Handan, a typical industrialized city in the NCP region, using real-time measurements from an intensive field campaign during the winter of 2015-2016. The average (± 1σ) concentration of submicron aerosol (PM1) during December 3, 2015 - February 5, 2016 was 187.6 (± 137.5) μg m-3, with the hourly maximum reaching 700.8 μg m-3. Organic was the most abundant component, on average accounting for 45% of total PM1 mass, followed by sulfate (15%), nitrate (14%), ammonium (12%), chloride (9%) and BC (5%). Positive matrix factorization (PMF) with multi-linear engine (ME-2) identified four major organic aerosol (OA) sources, including traffic emissions represented by a hydrocarbon-like OA (HOA, 7% of total OA), industrial and residential burning of coal represented by a coal combustion OA (CCOA, 29% of total OA), open and domestic combustion of wood and crop residuals represented by a biomass burning OA (BBOA, 25% of total OA), and formation of secondary OA (SOA) in the atmosphere represented by an oxygenated OA (OOA, 39% of total OA). Emissions of primary OA (POA), which together accounted for 61% of total OA and 27% of PM1, are a major cause of air pollution in this region during the winter. Our analysis further uncovered that, primary emissions from coal combustion and biomass burning together with secondary formation of sulfate (mainly from SO2 emitted by coal combustion) are important driving factors for haze evolution. However, the bulk composition of PM1 showed comparatively small variations between less polluted periods (daily PM2.5 ≤ 75 μg m-3) and severely polluted periods (daily PM2.5 > 75

  17. A quantum chemistry study on thermochemical properties of high energy-density endothermic hydrocarbon fuel JP-10.

    Science.gov (United States)

    Qin, Xiao-Mei; Xie, Hu-Jun; Yue, Lei; Lu, Xiao-Xing; Fang, Wen-Jun

    2014-04-01

    The density functional theory (DFT) calculations at the M06-2X/6-31++G(d,p) level have been performed to explore the molecular structure, electronic structure, C-H bond dissociation enthalpy, and reaction enthalpies for five isodesmic reactions of a high energy-density endothermic hydrocarbon fuel JP-10. On the basis of the calculations, it is found that the carbonium ion C-6 isomer formed from the catalytic cracking at the C₆ site of JP-10 has the lowest energy, and the R-5 radical generated from the thermal cracking at the C₅ site of JP-10 is the most stable isomer. Furthermore, a series of hypothetical and isodesmic work reactions containing similar bond environments are used to calculate the reaction enthalpies for target compounds. For the same isodesmic reaction, the reaction enthalpy of each carbon site radical has also been calculated. The present work is of fundamental significance and strategic importance to provide some valuable insights into the component design and energy utilization of advanced endothermic fuels.

  18. Hydrocarbon pneumonia

    Science.gov (United States)

    Pneumonia - hydrocarbon ... Coughing Fever Shortness of breath Smell of a hydrocarbon product on the breath Stupor (decreased level of ... Most children who drink or inhale hydrocarbon products and develop ... hydrocarbons may lead to rapid respiratory failure and death.

  19. Nitrous Oxide from Combustion and Industry: Chemistry, Emissions and Control Protoxyde d'azote provenant de la combustion et de l'industrie : chimie, émissions et techniques de réduction

    Directory of Open Access Journals (Sweden)

    De Soete G.

    2006-11-01

    Full Text Available After an Introductory Part, presenting a survey of the present knowledge of nitrous oxide chemistry related to fossil fuel combustion and flue gas treatment, as a background for the understanding of emission factors, the paper deals successively with the average N2O emission factors from combustion and other industrial sources, and gives guidelines for appropriate N2O control technology ; with respect to the former item, some comments and criticisms on the 1991 OEDC/IPCC Report are formulated. As far as updated emission sources are concerned, emphasis is put on those which presently constitute issues : emissions from fluidized bed combustors, emissions caused by non catalytic selective NO reduction by ammonia and urea injection, N2O emissions caused by the use of automotive three-way catalysts as well as emissions from nitric acid and adipic acid manufacturing and from municipal wastes and sewage sludges incineration. Comments on the 1991 OEDC/IPCC Report mainly emphasize : (1 the surprising absence of emission factors from stationary combustion facilities and the inadequacy of some of the scarcely presented data, (2 the strange ignorance of the important effect of aging of three-way catalysts on the emission of N2O from gasoline vehicles. These omissions are the more surprising since reliable information in these two fields were already available at the period the OEDC Report was issued and or revised. For the assessment of adequate N2O control technologies, there is an urgent need for further R&D work. Presently existing understanding of homogeneous and heterogeneous N2O chemistry may provide interesting hints for N2O control, either by gas phase treatment or by catalytic reduction, depending on the concentration levels present in the off-gases to be treated. Le but de cet article est double : d'une part il fait le point sur les facteurs d'émission de N2O provenant de la combustion des combustibles fossiles et de certains autres secteurs de l

  20. Polycyclic aromatic hydrocarbon exposure in household air pollution from solid fuel combustion among the female population of Xuanwei and Fuyuan counties, China

    NARCIS (Netherlands)

    Downward, George S.; Hu, Wei; Rothman, Nat; Reiss, Boris; Wu, Guoping; Wei, Fusheng; Chapman, Robert S.; Portengen, Lutzen; Qing, Lan; Vermeulen, Roel

    2014-01-01

    Exposure to polycyclic aromatic hydrocarbons (PAHs) from burning "smoky" (bituminous) coal has been implicated as a cause of the high lung cancer incidence in the counties of Xuanwei and Fuyuan, China. Little is known about variations in PAH exposure from throughout the region nor how fuel source an

  1. Polycyclic aromatic hydrocarbon exposure in household air pollution from solid fuel combustion among the female population of Xuanwei and Fuyuan counties, China

    NARCIS (Netherlands)

    Downward, George S.|info:eu-repo/dai/nl/412435667; Hu, Wei; Rothman, Nat; Reiss, Boris|info:eu-repo/dai/nl/314119205; Wu, Guoping; Wei, Fusheng; Chapman, Robert S.; Portengen, Lutzen|info:eu-repo/dai/nl/269224742; Qing, Lan; Vermeulen, Roel|info:eu-repo/dai/nl/216532620

    2014-01-01

    Exposure to polycyclic aromatic hydrocarbons (PAHs) from burning "smoky" (bituminous) coal has been implicated as a cause of the high lung cancer incidence in the counties of Xuanwei and Fuyuan, China. Little is known about variations in PAH exposure from throughout the region nor how fuel source

  2. Urban air chemistry and diesel vehicles emissions: Quantifying small and big hydrocarbons by CIMS to improve emission inventories

    Science.gov (United States)

    Jobson, B. T.; Derstroff, B.; Edtbauer, A.; VanderSchelden, G. S.; Williams, J.

    2017-10-01

    Emissions from vehicles are a major source of volatile organic compounds (VOCs) in urban environments. Photochemical oxidation of VOCs emitted from vehicle exhaust contributes to O3 and PM2.5 formation, harmful pollutants that major urban areas struggle to control. How will a shift to a diesel engine fleet impact urban air chemistry? Diesel vehicles are a growing fraction of the passenger vehicle fleet in Europe as a result of a deliberate policy to reduce energy consumption and CO2 emissions from the transportation sector (Sullivan et al., 2004). In countries such as France the diesel passenger fleet was already ∼50% of the total in 2009, up from 20% in 1995. Dunmore et al. (2015) have recently inferred that in London, HO radical loss rates to organic compounds is dominated by diesel engine emissions. In the US, increasingly more stringent vehicles emission standards and requirement for improved energy efficiency means spark ignition passenger vehicle emissions have declined significantly over the last 20 years, resulting in the urban diesel fleet traffic (freight trucks) having a growing importance as a source of vehicle pollution (McDonald et al., 2013). The recent scandal involving a major car manufacturer rigging emission controls for diesel passenger cars is a reminder that real world emissions of VOCs from diesel engines are not well understood nor thoroughly accounted for in air quality modeling.

  3. Application of single-particle laser desorption/ionization time-of-flight mass spectrometry for detection of polycyclic aromatic hydrocarbons from soot particles originating from an industrial combustion process.

    Science.gov (United States)

    Zimmermann, R; Ferge, T; Gälli, M; Karlsson, R

    2003-01-01

    Combustion-related soot particles were sampled in situ from the stoker system of a 0.5 MW incineration pilot plant (feeding material was wood) at two different heights over the feed bed in the third air supply zone. The collected particles were re-aerosolized by a powder-dispersing unit and analyzed by a single-particle laser desorption/ionization (LDI) time-of-flight mass spectrometer (aerosol-time-of-flight mass spectrometry, ATOFMS). The ATOFMS instrument characterizes particles according to their aerodynamic size (laser velocimetry) and chemical composition (LDI mass spectrometry). Chemical species from the particles are laser desorbed/ionized by 266 nm Nd:YAG laser pulses. ATOFMS results on individual 'real world' particles in general give information on the bulk inorganic composition. Organic compounds, which are of much lower concentrations, commonly are not detectable. However, recent off-line laser microprobe mass spectrometric (LMMS) experiments on bulk soot aerosol samples have emphasized that organic compounds can be desorbed and ionized without fragmentation in LDI experiments from black carbonaceous matrices. This paper reports the successful transfer of the off-line results to on-line analysis of airborne soot particles by ATOFMS. The detection of polycyclic aromatic hydrocarbons from soot particles is addressed in detail. The results are interpreted in the context of the recent LMMS results. Furthermore, their relevance with respect to possible applications in on-line monitoring of combustion processes is discussed. Copyright 2003 John Wiley & Sons, Ltd.

  4. Studies in combustion dynamics

    Energy Technology Data Exchange (ETDEWEB)

    Koszykowski, M.L. [Sandia National Laboratories, Livermore, CA (United States)

    1993-12-01

    The goal of this program is to develop a fundamental understanding and a quantitative predictive capability in combustion modeling. A large part of the understanding of the chemistry of combustion processes comes from {open_quotes}chemical kinetic modeling.{close_quotes} However, successful modeling is not an isolated activity. It necessarily involves the integration of methods and results from several diverse disciplines and activities including theoretical chemistry, elementary reaction kinetics, fluid mechanics and computational science. Recently the authors have developed and utilized new tools for parallel processing to implement the first numerical model of a turbulent diffusion flame including a {open_quotes}full{close_quotes} chemical mechanism.

  5. Numerical study of premixed HCCI engine combustion and its sensitivity to computational mesh and model uncertainties

    Science.gov (United States)

    Kong, Song-Charng; Reitz, Rolf D.

    2003-06-01

    This study used a numerical model to investigate the combustion process in a premixed iso-octane homogeneous charge compression ignition (HCCI) engine. The engine was a supercharged Cummins C engine operated under HCCI conditions. The CHEMKIN code was implemented into an updated KIVA-3V code so that the combustion could be modelled using detailed chemistry in the context of engine CFD simulations. The model was able to accurately simulate the ignition timing and combustion phasing for various engine conditions. The unburned hydrocarbon emissions were also well predicted while the carbon monoxide emissions were under predicted. Model results showed that the majority of unburned hydrocarbon is located in the piston-ring crevice region and the carbon monoxide resides in the vicinity of the cylinder walls. A sensitivity study of the computational grid resolution indicated that the combustion predictions were relatively insensitive to the grid density. However, the piston-ring crevice region needed to be simulated with high resolution to obtain accurate emissions predictions. The model results also indicated that HCCI combustion and emissions are very sensitive to the initial mixture temperature. The computations also show that the carbon monoxide emissions prediction can be significantly improved by modifying a key oxidation reaction rate constant.

  6. Fundamental mechanisms for conversion of volatiles in biomass and waste combustion. Final report

    Energy Technology Data Exchange (ETDEWEB)

    Glarborg, P.; Hindiyarti, L.; Marshall, P.; Livbjerg, H.; Dagaut, P.; Jensen, Anker; Frandsen, Flemming

    2007-03-15

    This project deals with the volatile oxidation chemistry in biomass and waste fired systems, emphasizing reactions important for pollutants emissions (NO{sub x}, SO{sub 2}, HCl, aerosols). The project aims to extend existing models and databases with a number of chemical subsystems that are presently not well understood, but are particularly important in connection with combustion of biomass and waste. The project is divided into 3 tasks. Task 1: Conversion of chlorine, sulfur and alkali gas phase components in combustion of biomass. Task 2: Formation mechanisms for NO{sub x} in the freeboard of grate combustion of biomass. Task 3: Oxidation mechanisms for oxygenated hydrocarbons in the volatiles from pyrolysis of biomass. (au)

  7. MOLECULAR DIAGNOSTIC RATIOS TO ASSESS THE APPORTIONMENT OF PETROLEUM HYDROCARBONS CONTAMINANTION IN MARINE SEDIMENT

    Directory of Open Access Journals (Sweden)

    Agung Dhamar Syakti

    2016-11-01

    Full Text Available As maritime fulcrum nation, in Indonesia, marine environmental analytical chemistry field is still under developed. So that why, this review paper aims to provide basic understanding of the use some molecular diagnostic indices using n-alkanes indexes and polycyclic aromatic hydrocarbons (PAHs diagnostic ratios to estimate the source of apportionment of the hydrocarbons contamination and origin. The n-alkane chromatograms were then used to characterize the predominance of petrogenic or biogenic either terrestrial or aquatic. Furthermore, characterization allowed to discriminate riverine versus marine input. The occurrence of a broad unresolved complex mixture can be an evidence of biodegraded petroleum residues. For aromatic compounds, the prevalence of petrogenic, pyrolitic, and combustion-derived can be easily plotted by using isomers ratio calculation. This paper thus provides useful information on the hydrocarbon contamination origin, especially in marine sediments. Further researches should be undertaken in order to validate the use of molecular diagnostic ratio with isotopic approach.

  8. Synthetic fuel aromaticity and staged combustion

    Energy Technology Data Exchange (ETDEWEB)

    Longanbach, J. R.; Chan, L. K.; Levy, A.

    1982-11-15

    Samples of middle and heavy SRC-II distillates were distilled into 50 C boiling point range fractions. These were characterized by measurements of their molecular weight, elemental analysis and basic nitrogen content and calculation of average molecular structures. The structures typically consisted of 1 to 3 aromatic rings fused to alicyclic rings with short, 1 to 3 carbon aliphatic side chains. The lower boiling fractions contained significant amounts (1 atom/molecule) of oxygen while the heavier fractions contained so few heteroatoms that they were essentially hydrocarbons. Laboratory scale oxidative-pyrolysis experiments were carried out at pyrolysis temperatures of 500 to 1100 C and oxygen concentrations from 0 to 100 percent of stoichiometry. Analysis of liquid products, collected in condensers cooled with liquid nitrogen showed that aromatization is a major reaction in the absence of oxygen. The oxygen-containing materials (phenolics) seem to be more resistant to thermal pyrolysis than unsubstituted aromatics. Nitrogen converts from basic to nonbasic forms at about 500 C. The nonbasic nitrogen is more stable and survives up to 700 C after which it is slowly removed. A recently constructed 50,000 Btu/hr staged combustor was used to study the chemistry of the nitrogen and aromatics. SRC II combustion was studied under fuel-rich, first-stage conditions at air/fuel ratios from 0.6 to 1.0 times stoichiometric. The chemistry of the fuel during combustion calls for further investigation in order to examine the mechanism by which HCN is evolved as a common intermediate for the formation of the nitrogen-containing gaseous combustion products. 25 references, 45 figures, 25 tables.

  9. Biomass Conversion to Hydrocarbon Fuels Using the MixAlcoTM Process Conversion de la biomasse en combustibles hydrocarbonés au moyen du procédé MixAlcoTM

    Directory of Open Access Journals (Sweden)

    Taco-Vasquez S.

    2013-04-01

    Full Text Available The MixAlcoTM process converts biomass to hydrocarbons (e.g., gasoline using the following generic steps: pretreatment, fermentation, descumming, dewatering, thermal ketonization, distillation, hydrogenation, oligomerization and saturation. This study describes the production of bio-gasoline from chicken manure and shredded office paper, both desirable feedstocks that do not require pretreatment. Using a mixed culture of microorganisms derived from marine soil, the biomass was fermented to produce a dilute aqueous solution of carboxylate salts, which were subsequently descummed and dried. The dry salts were thermally converted to raw ketones, which were distilled to remove impurities. Using Raney nickel catalyst, the distilled ketones were hydrogenated to mixed secondary alcohols ranging from C3 to C12. Using zeolite HZSM-5 catalyst, these alcohols were oligomerized to hydrocarbons in a plug -flow reactor. Finally, these unsaturated hydrocarbons were hydrogenated to produce a mixture of hydrocarbons that can be blended into commercial gasoline. Le procédé MixAlcoTM convertit la biomasse en hydrocarbures (par exemple, en essence selon les étapes génériques suivantes : prétraitement, fermentation, écumage, déshydratation, cétonisation thermique, distillation, hydrogénation, oligomérisation et saturation. Cette étude décrit la production de bioessence à partir de fumier de poulet et de papier en lambeaux, ces deux sources étant des matières premières convoitées ne nécessitant pas de prétraitement. À l’aide d’une culture mixte de microorganismes dérivés de sols marins, la biomasse a été soumise à une fermentation de manière à produire une solution aqueuse diluée de sels de carboxylates, ultérieurement écumés et séchés. Les sels séchés ont été thermiquement convertis en cétones brutes, ensuite distillées afin d’éliminer les impuretés. À l’aide du catalyseur à base de nickel de Raney, les c

  10. Applicability of heat transfer equations to hydrogen combustion

    OpenAIRE

    Shudo, Toshio; Suzuki, Hiroyuki

    2002-01-01

    Previous research by the authors showed that hydrogen combustion exhibits a higher cooling loss to the combustion chamber wall of an internal combustion engine compared to hydrocarbon combustion because of its higher burning velocity and shorter quenching distance. The high cooling loss means that reduction of the cooling loss is essential to establish a high thermal efficiency in hydrogen combustion engines. This research analyzed the applicability of equations to describe the h...

  11. Spectral optimization and uncertainty quantification in combustion modeling

    Science.gov (United States)

    Sheen, David Allan

    Reliable simulations of reacting flow systems require a well-characterized, detailed chemical model as a foundation. Accuracy of such a model can be assured, in principle, by a multi-parameter optimization against a set of experimental data. However, the inherent uncertainties in the rate evaluations and experimental data leave a model still characterized by some finite kinetic rate parameter space. Without a careful analysis of how this uncertainty space propagates into the model's predictions, those predictions can at best be trusted only qualitatively. In this work, the Method of Uncertainty Minimization using Polynomial Chaos Expansions is proposed to quantify these uncertainties. In this method, the uncertainty in the rate parameters of the as-compiled model is quantified. Then, the model is subjected to a rigorous multi-parameter optimization, as well as a consistency-screening process. Lastly, the uncertainty of the optimized model is calculated using an inverse spectral optimization technique, and then propagated into a range of simulation conditions. An as-compiled, detailed H2/CO/C1-C4 kinetic model is combined with a set of ethylene combustion data to serve as an example. The idea that the hydrocarbon oxidation model should be understood and developed in a hierarchical fashion has been a major driving force in kinetics research for decades. How this hierarchical strategy works at a quantitative level, however, has never been addressed. In this work, we use ethylene and propane combustion as examples and explore the question of hierarchical model development quantitatively. The Method of Uncertainty Minimization using Polynomial Chaos Expansions is utilized to quantify the amount of information that a particular combustion experiment, and thereby each data set, contributes to the model. This knowledge is applied to explore the relationships among the combustion chemistry of hydrogen/carbon monoxide, ethylene, and larger alkanes. Frequently, new data will

  12. Mathematical Modeling in Combustion Science

    CERN Document Server

    Takeno, Tadao

    1988-01-01

    An important new area of current research in combustion science is reviewed in the contributions to this volume. The complicated phenomena of combustion, such as chemical reactions, heat and mass transfer, and gaseous flows, have so far been studied predominantly by experiment and by phenomenological approaches. But asymptotic analysis and other recent developments are rapidly changing this situation. The contributions in this volume are devoted to mathematical modeling in three areas: high Mach number combustion, complex chemistry and physics, and flame modeling in small scale turbulent flow combustion.

  13. Turbulent combustion modelization via a tabulation method of detailed kinetic chemistry coupled to Probability Density Function. Application to aeronautical engines; Modelisation de la combustion turbulente via une methode tabulation de la cinetique chimique detaillee couplee a des fonctions densites de probabilite. Application aux foyers aeronautiques

    Energy Technology Data Exchange (ETDEWEB)

    Rullaud, M.

    2004-06-01

    A new modelization of turbulent combustion is proposed with detailed chemistry and probability density functions (PDFs). The objective is to capture temperature and species concentrations, mainly the CO. The PCM-FTC model, Presumed Conditional Moment - Flame Tabulated Chemistry, is based on the tabulation of laminar premixed and diffusion flames to capture partial pre-mixing present in aeronautical engines. The presumed PDFs is introduced to predict averaged values. The tabulation method is based on the analysis of the chemical structure of laminar premixed and diffusion flames. Hypothesis are presented, tested and validated with Sandia experimental data jet flames. Then, the model is introduced in a turbulent flow simulation software. Three configurations are retained to quantify the level of prediction of this formulation: the D and F-Flames of Sandia and lifted jet flames of methane/air of Stanford. A good agreement is observed between experiments and simulations. The validity of this method is then demonstrated. (author)

  14. Obtaining of a barium compound by combustion chemistry and their evaluation as Co adsorbent; Obtencion de un compuesto de bario por combustion quimica y su evaluacion como adsorbente de Co

    Energy Technology Data Exchange (ETDEWEB)

    Rosas G, N. [ININ, 52045 Ocoyoacac, Estado de Mexico (Mexico)

    2008-07-01

    In this work, barium carbonate synthesized by chemical combustion method using a chemical precursor prepared by the combination of barium nitrate and urea as a fuel, with a 1:1 molar ratio in aqueous solution, the chemical precursor was heated to evaporate excess water, producing a homogeneous viscous liquid, that when heated to 900 centi grades for 5 minutes an exothermic reaction was produced very quickly and abruptly, forming a white powder final product, fine porous, little spongy, dry and crystalline ready to be used as material adsorbent. Additionally, the effect of water on the synthesis by chemical combustion was studied. Simultaneously, and with the purpose of comparing the advantages and disadvantages of the method by chemical combustion, barium carbonate was synthesized by precipitation method using barium nitrate salts and sodium carbonate. Synthesized barium carbonate, was characterized by X-ray diffraction, thermal gravimetric analysis, infrared spectrometry and scanning electron microscopy. We studied the adsorption capacity of Co present in aqueous solution by static tests on materials synthesized at room temperature using the neutron activation analysis. It was found that the synthesis by chemical combustion provides an interesting alternative compared to the synthesis by precipitation because it offers simplicity of synthesis and speed to have a good adsorbent material. It was found that the barium carbonate synthesized by the chemical combustion method using in their synthesis 1.0 ml of water, was the one who achieved the maximum adsorption capacity of 95.6% compared with the barium carbonate prepared by precipitation, which reached a capacity adsorption of 51.48%. (Author)

  15. Resonance ionization detection of combustion radicals

    Energy Technology Data Exchange (ETDEWEB)

    Cool, T.A. [Cornell Univ., Ithaca, NY (United States)

    1993-12-01

    Fundamental research on the combustion of halogenated organic compounds with emphasis on reaction pathways leading to the formation of chlorinated aromatic compounds and the development of continuous emission monitoring methods will assist in DOE efforts in the management and disposal of hazardous chemical wastes. Selective laser ionization techniques are used in this laboratory for the measurement of concentration profiles of radical intermediates in the combustion of chlorinated hydrocarbon flames. A new ultrasensitive detection technique, made possible with the advent of tunable VUV laser sources, enables the selective near-threshold photoionization of all radical intermediates in premixed hydrocarbon and chlorinated hydrocarbon flames.

  16. Structure and chemistry of the heteronuclear oxo-cluster [VPO4]•+: a model system for the gas-phase oxidation of small hydrocarbons.

    Science.gov (United States)

    Dietl, Nicolas; Wende, Torsten; Chen, Kai; Jiang, Ling; Schlangen, Maria; Zhang, Xinhao; Asmis, Knut R; Schwarz, Helmut

    2013-03-06

    The heteronuclear oxo-cluster [VPO4](•+) is generated via electrospray ionization and investigated with respect to both its electronic structure as well as its gas-phase reactivity toward small hydrocarbons, thus permitting a comparison to the well-known vanadium-oxide cation [V2O4](•+). As described in previous studies, the latter oxide exhibits no or just minor reactivity toward small hydrocarbons, such as CH4, C2H6, C3H8, n-C4H10, and C2H4, while substitution of one vanadium by a phosphorus atom yields the reactive [VPO4](•+) ion; the latter brings about oxidative dehydrogenation (ODH) of saturated hydrocarbons, e.g., propane and butane as well as oxygen-atom transfer (OAT) to unsaturated hydrocarbons, e.g. ethene, at thermal conditions. Further, the gas-phase structure of [VPO4](•+) is determined by IR photodissociation spectroscopy and compared to that of [V2O4](•+). DFT calculations help to elucidate the reaction mechanism. The results underline the crucial role of phosphorus in terms of C-H bond activation of hydrocarbons by mixed VPO clusters.

  17. Sandia Combustion Research Program

    Energy Technology Data Exchange (ETDEWEB)

    Johnston, S.C.; Palmer, R.E.; Montana, C.A. (eds.)

    1988-01-01

    During the late 1970s, in response to a national energy crisis, Sandia proposed to the US Department of Energy (DOE) a new, ambitious program in combustion research. Shortly thereafter, the Combustion Research Facility (CRF) was established at Sandia's Livermore location. Designated a ''user facility,'' the charter of the CRF was to develop and maintain special-purpose resources to support a nationwide initiative-involving US inventories, industry, and national laboratories--to improve our understanding and control of combustion. This report includes descriptions several research projects which have been simulated by working groups and involve the on-site participation of industry scientists. DOE's Industry Technology Fellowship program, supported through the Office of Energy Research, has been instrumental in the success of some of these joint efforts. The remainder of this report presents results of calendar year 1988, separated thematically into eleven categories. Referred journal articles appearing in print during 1988 and selected other publications are included at the end of Section 11. Our traditional'' research activities--combustion chemistry, reacting flows, diagnostics, engine and coal combustion--have been supplemented by a new effort aimed at understanding combustion-related issues in the management of toxic and hazardous materials.

  18. Probing flame chemistry with MBMS, theory, and modeling

    Energy Technology Data Exchange (ETDEWEB)

    Westmoreland, P.R. [Univ. of Massachusetts, Amherst (United States)

    1993-12-01

    The objective is to establish kinetics of combustion and molecular-weight growth in C{sub 3} hydrocarbon flames as part of an ongoing study of flame chemistry. Specific reactions being studied are (1) the growth reactions of C{sub 3}H{sub 5} and C{sub 3}H{sub 3} with themselves and with unsaturated hydrocarbons and (2) the oxidation reactions of O and OH with C{sub 3}`s. This approach combines molecular-beam mass spectrometry (MBMS) experiments on low-pressure flat flames; theoretical predictions of rate constants by thermochemical kinetics, Bimolecular Quantum-RRK, RRKM, and master-equation theory; and whole-flame modeling using full mechanisms of elementary reactions.

  19. The Influence of Galactic Cosmic Rays on Ion-Neutral Hydrocarbon Chemistry in the Upper Atmospheres of Free-Floating Exoplanets

    CERN Document Server

    Rimmer, P B; Bilger, C

    2013-01-01

    Cosmic rays may be linked to the formation of volatiles necessary for prebiotic chemistry. We explore the effect of cosmic rays in a hydrogen-dominated atmosphere, as a proof-of-concept that ion-neutral chemistry may be important for modelling hydrogen-dominated atmospheres. In order to accomplish this, we utilize Monte Carlo cosmic ray transport models with particle energies of $10^6$ eV $< E < 10^{12}$ eV in order to investigate the cosmic ray enhancement of free electrons in substellar atmospheres. Ion-neutral chemistry is then applied to a Drift-Phoenix model of a free-floating giant gas planet. Our results suggest that the activation of ion-neutral chemistry in the upper atmosphere significantly enhances formation rates for various species, and we find that C$_2$H$_2$, C$_2$H$_4$, NH$_3$, C$_6$H$_6$ and possibly C$_{10}$H are enhanced in the upper atmospheres because of cosmic rays. Our results suggest a potential connection between cosmic ray chemistry and the hazes observed in the upper atmospher...

  20. Radiation Chemistry

    Science.gov (United States)

    Wojnárovits, L.

    Ionizing radiation causes chemical changes in the molecules of the interacting medium. The initial molecules change to new molecules, resulting in changes of the physical, chemical, and eventually biological properties of the material. For instance, water decomposes to its elements H2 and O2. In polymers, degradation and crosslinking take place. In biopolymers, e.g., DNS strand breaks and other alterations occur. Such changes are to be avoided in some cases (radiation protection), however, in other cases they are used for technological purposes (radiation processing). This chapter introduces radiation chemistry by discussing the sources of ionizing radiation (radionuclide sources, machine sources), absorption of radiation energy, techniques used in radiation chemistry research, and methods of absorbed energy (absorbed dose) measurements. Radiation chemistry of different classes of inorganic (water and aqueous solutions, inorganic solids, ionic liquids (ILs)) and organic substances (hydrocarbons, halogenated compounds, polymers, and biomolecules) is discussed in concise form together with theoretical and experimental backgrounds. An essential part of the chapter is the introduction of radiation processing technologies in the fields of polymer chemistry, food processing, and sterilization. The application of radiation chemistry to nuclear technology and to protection of environment (flue gas treatment, wastewater treatment) is also discussed.

  1. Computational Combustion

    Energy Technology Data Exchange (ETDEWEB)

    Westbrook, C K; Mizobuchi, Y; Poinsot, T J; Smith, P J; Warnatz, J

    2004-08-26

    Progress in the field of computational combustion over the past 50 years is reviewed. Particular attention is given to those classes of models that are common to most system modeling efforts, including fluid dynamics, chemical kinetics, liquid sprays, and turbulent flame models. The developments in combustion modeling are placed into the time-dependent context of the accompanying exponential growth in computer capabilities and Moore's Law. Superimposed on this steady growth, the occasional sudden advances in modeling capabilities are identified and their impacts are discussed. Integration of submodels into system models for spark ignition, diesel and homogeneous charge, compression ignition engines, surface and catalytic combustion, pulse combustion, and detonations are described. Finally, the current state of combustion modeling is illustrated by descriptions of a very large jet lifted 3D turbulent hydrogen flame with direct numerical simulation and 3D large eddy simulations of practical gas burner combustion devices.

  2. Using Demonstrations Involving Combustion and Acid-Base Chemistry to Show Hydration of Carbon Dioxide, Sulfur Dioxide, and Magnesium Oxide and Their Relevance for Environmental Climate Science

    Science.gov (United States)

    Shaw, C. Frank, III; Webb, James W.; Rothenberger, Otis

    2016-01-01

    The nature of acidic and basic (alkaline) oxides can be easily illustrated via a series of three straightforward classroom demonstrations for high school and general chemistry courses. Properties of carbon dioxide, sulfur dioxide, and magnesium oxide are revealed inexpensively and safely. Additionally, the very different kinetics of hydration of…

  3. Using Demonstrations Involving Combustion and Acid-Base Chemistry to Show Hydration of Carbon Dioxide, Sulfur Dioxide, and Magnesium Oxide and Their Relevance for Environmental Climate Science

    Science.gov (United States)

    Shaw, C. Frank, III; Webb, James W.; Rothenberger, Otis

    2016-01-01

    The nature of acidic and basic (alkaline) oxides can be easily illustrated via a series of three straightforward classroom demonstrations for high school and general chemistry courses. Properties of carbon dioxide, sulfur dioxide, and magnesium oxide are revealed inexpensively and safely. Additionally, the very different kinetics of hydration of…

  4. Environmental optimisation of waste combustion

    Energy Technology Data Exchange (ETDEWEB)

    Schuster, Robert [AaF Energikonsult, Stockholm (Sweden); Berge, Niclas; Stroemberg, Birgitta [TPS Termiska Processer AB, Nykoeping (Sweden)

    2000-12-01

    The regulations concerning waste combustion evolve through R and D and a strive to get better and common regulations for the European countries. This study discusses if these rules of today concerning oxygen concentration, minimum temperature and residence time in the furnace and the use of stand-by burners are needed, are possible to monitor, are the optimum from an environmental point of view or could be improved. No evidence from well controlled laboratory experiments validate that 850 deg C in 6 % oxygen content in general is the best lower limit. A lower excess air level increase the temperature, which has a significant effect on the destruction of hydrocarbons, favourably increases the residence time, increases the thermal efficiency and the efficiency of the precipitators. Low oxygen content is also necessary to achieve low NO{sub x}-emissions. The conclusion is that the demands on the accuracy of the measurement devices and methods are too high, if they are to be used inside the furnace to control the combustion process. The big problem is however to find representative locations to measure temperature, oxygen content and residence time in the furnace. Another major problem is that the monitoring of the operation conditions today do not secure a good combustion. It can lead to a false security. The reason is that it is very hard to find boilers without stratifications. These stratifications (stream lines) has each a different history of residence time, mixing time, oxygen and combustible gas levels and temperature, when they reach the convection area. The combustion result is the sum of all these different histories. The hydrocarbons emission is in general not produced at a steady level. Small clouds of unburnt hydrocarbons travels along the stream lines showing up as peaks on a THC measurement device. High amplitude peaks has a tendency to contain higher ratio of heavy hydrocarbons than lower peaks. The good correlation between some easily detected

  5. Quasi-dimensional spray combustion model in DME engine with detailed chemistry%DME发动机准维直喷燃烧模型

    Institute of Scientific and Technical Information of China (English)

    徐波; 张煜盛

    2013-01-01

    A quasi-phenomenon multi-zone spray atomization model was developed to simulate the combustion and emission of direct injection engine with DME (dimethyl ether) as the fuel. The description of the spray mixing process was based on quasi-dimensional gas jet model. The combustion process in every divided zone was controlled by chemical reactions and computed using CHEMKIN code. The CHEMKIN libraries were used to formulate a stiff chemical kinetic solver suitable for integration within the engine cycle simulation. The simulation was based on the DME mechanism with detailed chemical reactions (79 species and 399 reactions). In this simulation, the partial differential equations were solved using DVODE code. The model can reveal the combustion process of DME and the produce of exhausts such as (CO, Nox).%为了能够预测二甲醚(DME)燃料缸内直喷燃烧及排放过程,基于该燃料气相喷雾雾化模型,推导出DME准维燃烧分区模型.通过气相射流模型对缸内情况进行分区,采用CHEMKIN库函数求解每个区化学反应速度.模型基于DME详细化学反应机理(包含79个物种、399步基元反应),采用DVODE算法对微分方程组进行求解,能够对DME着火过程进行模拟,并且能够对多种排放物(CO,NOz等)进行模拟预测.

  6. Measurement and simulation of swirling coal combustion

    Institute of Scientific and Technical Information of China (English)

    Liyuan Hu; Lixing Zhou; Yonghao Luo; Caisong Xu

    2013-01-01

    Particle image velocimetry (PIV),thermocouples and flue gas analyzer are used to study swirling coal combustion and NO formation under different secondary-air ratios.Eulerian-Lagrangian large-eddy simulation (LES) using the Smagorinsky-Lilly sub-grid scale stress model,presumed-PDF fast chemistry and eddy-break-up (EBU) gas combustion models,particle devolatilization and particle combustion models,are simultaneously used to simulate swirling coal combustion.Statistical LES results are validated by measurement results.Instantaneous LES results show that the coherent structures for swirling coal combustion are stronger than those for swirling gas combustion.Particles are shown to concentrate along the periphery of the coherent structures.Combustion flame is located in the high vorticity and high particle concentration zones.Measurement shows that secondary-air ratios have little effect on final NO formation at the exit of the combustor.

  7. Pulsating combustion - Combustion characteristics and reduction of emissions

    Energy Technology Data Exchange (ETDEWEB)

    Lindholm, Annika

    1999-11-01

    In the search for high efficiency combustion systems pulsating combustion has been identified as one of the technologies that potentially can meet the objectives of clean combustion and good fuel economy. Pulsating combustion offers low emissions of pollutants, high heat transfer and efficient combustion. Although it is an old technology, the interest in pulsating combustion has been renewed in recent years, due to its unique features. Various applications of pulsating combustion can be found, mainly as drying and heating devices, of which the latter also have had commercial success. It is, however, in the design process of a pulse combustor, difficult to predict the operating frequency, the heat release etc., due to the lack of a well founded theory of the phenomenon. Research concerning control over the combustion process is essential for developing high efficiency pulse combustors with low emissions. Natural gas fired Helmholtz type pulse combustors have been the experimental objects of this study. In order to investigate the interaction between the fluid dynamics and the chemistry in pulse combustors, laser based measuring techniques as well as other conventional measuring techniques have been used. The experimental results shows the possibilities to control the combustion characteristics of pulsating combustion. It is shown that the time scales in the large vortices created at the inlet to the combustion chamber are very important for the operation of the pulse combustor. By increasing/decreasing the time scale for the large scale mixing the timing of the heat release is changed and the operating characteristics of the pulse combustor changes. Three different means for NO{sub x} reduction in Helmholtz type pulse combustors have been investigated. These include exhaust gas recirculation, alteration of air/fuel ratio and changed inlet geometry in the combustion chamber. All used methods achieved less than 10 ppm NO{sub x} emitted (referred to stoichiometric

  8. Fundamental combustion and diagnostics research at Sandia. Progress report, April-June 1980

    Energy Technology Data Exchange (ETDEWEB)

    Gusinow, M.A. (ed.)

    1980-09-01

    The combustion research emphasizes basic research into fundamental problems associated with combustion. The overall program addresses detailed chemistry of combustion, fundamental processes associated with laminar and turbulent flames, development of research techniques specifically applicable to combustion environments, and operation of the user-oriented Combustion Research Facility. The first section of this report contains activities in Combustion Research, the second section contains activities in Molecular Physics and Spectroscopy, and the third section contains activities in Diagnostics Research.

  9. Kinetic data base for combustion modeling

    Energy Technology Data Exchange (ETDEWEB)

    Tsang, W.; Herron, J.T. [National Institute of Standards and Technology, Gaithersburg, MD (United States)

    1993-12-01

    The aim of this work is to develop a set of evaluated rate constants for use in the simulation of hydrocarbon combustion. The approach has been to begin with the small molecules and then introduce larger species with the various structural elements that can be found in all hydrocarbon fuels and decomposition products. Currently, the data base contains most of the species present in combustion systems with up to four carbon atoms. Thus, practically all the structural grouping found in aliphatic compounds have now been captured. The direction of future work is the addition of aromatic compounds to the data base.

  10. Forensic source differentiation of petrogenic, pyrogenic, and biogenic hydrocarbons in Canadian oil sands environmental samples.

    Science.gov (United States)

    Wang, Zhendi; Yang, C; Parrott, J L; Frank, R A; Yang, Z; Brown, C E; Hollebone, B P; Landriault, M; Fieldhouse, B; Liu, Y; Zhang, G; Hewitt, L M

    2014-04-30

    To facilitate monitoring efforts, a forensic chemical fingerprinting methodology has been applied to characterize and differentiate pyrogenic (combustion derived) and biogenic (organism derived) hydrocarbons from petrogenic (petroleum derived) hydrocarbons in environmental samples from the Canadian oil sands region. Between 2009 and 2012, hundreds of oil sands environmental samples including water (snowmelt water, river water, and tailings pond water) and sediments (from river beds and tailings ponds) have been analyzed. These samples were taken from sites where assessments of wild fish health, invertebrate communities, toxicology and detailed chemistry are being conducted as part of the Canada-Alberta Joint Oil Sands Monitoring Plan (JOSMP). This study describes the distribution patterns and potential sources of PAHs from these integrated JOSMP study sites, and findings will be linked to responses in laboratory bioassays and in wild organisms collected from these same sites. It was determined that hydrocarbons in Athabasca River sediments and waters were most likely from four sources: (1) petrogenic heavy oil sands bitumen; (2) biogenic compounds; (3) petrogenic hydrocarbons of other lighter fuel oils; and (4) pyrogenic PAHs. PAHs and biomarkers detected in snowmelt water samples collected near mining operations imply that these materials are derived from oil sands particulates (from open pit mines, stacks and coke piles).

  11. Hydrocarbon-enhanced particulate filter regeneration via microwave ignition

    Science.gov (United States)

    Gonze, Eugene V.; Brown, David B.

    2010-02-02

    A regeneration method for a particulate filter includes estimating a quantity of particulate matter trapped within the particulate filter, comparing the quantity of particulate matter to a predetermined quantity, heating at least a portion of the particulate filter to a combustion temperature of the particulate matter, and introducing hydrocarbon fuel to the particulate filter. The hydrocarbon fuel facilitates combustion of the particulate matter to regenerate the particulate filter.

  12. Negative Valve Overlap Reforming Chemistry in Low-Oxygen Environments

    Energy Technology Data Exchange (ETDEWEB)

    Szybist, James P [ORNL; Steeper, Richard R. [Sandia National Laboratories (SNL); Splitter, Derek A [ORNL; Kalaskar, Vickey B [ORNL; Pihl, Josh A [ORNL; Daw, C Stuart [ORNL

    2014-01-01

    Fuel injection into the negative valve overlap (NVO) period is a common method for controlling combustion phasing in homogeneous charge compression ignition (HCCI) and other forms of advanced combustion. When fuel is injected into O2-deficient NVO conditions, a portion of the fuel can be converted to products containing significant levels of H2 and CO. Additionally, other short chain hydrocarbons are produced by means of thermal cracking, water-gas shift, and partial oxidation reactions. The present study experimentally investigates the fuel reforming chemistry that occurs during NVO. To this end, two very different experimental facilities are utilized and their results are compared. One facility is located at Oak Ridge National Laboratory, which uses a custom research engine cycle developed to isolate the NVO event from main combustion, allowing a steady stream of NVO reformate to be exhausted from the engine and chemically analyzed. The other experimental facility, located at Sandia National Laboratories, uses a dump valve to capture the exhaust from a single NVO event for analysis. Results from the two experiments are in excellent trend-wise agreement and indicate that the reforming process under low-O2 conditions produces substantial concentrations of H2, CO, methane, and other short-chain hydrocarbon species. The concentration of these species is found to be strongly dependent on fuel injection timing and injected fuel type, with weaker dependencies on NVO duration and initial temperature, indicating that NVO reforming is kinetically slow. Further, NVO reforming does not require a large energy input from the engine, meaning that it is not thermodynamically expensive. The implications of these results on HCCI and other forms of combustion are discussed in detail.

  13. On-line measurement of heat of combustion

    Science.gov (United States)

    Chaturvedi, S. K.; Chegini, H.

    1988-01-01

    An experimental method for an on-line measurement of heat of combustion of a gaseous hydrocarbon fuel mixture of unknown composition is developed. It involves combustion of a test gas with a known quantity of air to achieve a predetermined oxygen concentration level in the combustion products. This is accomplished by a feedback controller which maintains the gas volumetric flow rate at a level consistent with the desired oxygen concentration in the products. The heat of combustion is determined from a known correlation with the gas volumetric flow rate. An on-line microcomputer accesses the gas volumetric flow data, and displays the heat of combustion values at desired time intervals.

  14. Catalytic combustion in small wood burning appliances

    Energy Technology Data Exchange (ETDEWEB)

    Oravainen, H. [VTT Energy, Jyvaeskylae (Finland)

    1996-12-31

    There is over a million hand fired small heating appliances in Finland where about 5,4 million cubic meters of wood fuel is used. Combustion in such heating appliances is a batch-type process. In early stages of combustion when volatiles are burned, the formation of carbon monoxide (CO) and other combustible gases are difficult to avoid when using fuels that have high volatile matter content. Harmful emissions are formed mostly after each fuel adding but also during char burnout period. When the CO-content in flue gases is, say over 0.5 %, also other harmful emissions will be formed. Methane (CH{sub 4}) and other hydrocarbons are released and the amount of polycyclic aromatic hydrocarbons (PAH)-compounds can be remarkable. Some PAH-compounds are very carcinogenic. It has been estimated that in Finland even more than 90 % of hydrocarbon and PAH emissions are due to small scale wood combustion. Emissions from transportation is excluded from these figures. That is why wood combustion has a net effect on greenhouse gas phenomena. For example carbon monoxide emissions from small scale wood combustion are two fold compared to that of energy production in power plants. Methane emission is of the same order as emission from transportation and seven fold compared with those of energy production. Emissions from small heating appliances can be reduced by developing the combustion techniques, but also by using other means, for example catalytic converters. In certain stages of the batch combustion, temperature is not high enough, gas mixing is not good enough and residence time is too short for complete combustion. When placed to a suitable place inside a heating appliance, a catalytic converter can oxidize unburned gases in the flue gas into compounds that are not harmful to the environment. (3 refs.)

  15. Chemical – thermodynamics description of oxidization of hydrocarbon fuels

    Directory of Open Access Journals (Sweden)

    О.Л. Матвєєва

    2005-01-01

    Full Text Available  In theory it is grounded, that in the process of exploitation because of intensification of oxidizing processes worsening takes place of power properties of fuels, in particular warmth of combustion, due to reduction of thermal effects of reactions of combustion of the oxidized hydrocarbons.

  16. Free-radicals aided combustion with scramjet applications

    Science.gov (United States)

    Yang, Yongsheng; Kumar, Ramohalli

    1992-01-01

    Theoretical and experimental investigations aimed at altering 'nature-prescribed' combustion rates in hydrogen/hydrocarbon reactions with (enriched) air are presented. The intent is to anchor flame zones in supersonic streams, and to ensure proper and controllable complete combustion in scramjets. The diagnostics are nonintrusive through IR thermograms and acoustic emissions in the control and free-radicals altered flame zones.

  17. Combustion physics

    Science.gov (United States)

    Jones, A. R.

    1985-11-01

    Over 90% of our energy comes from combustion. By the year 2000 the figure will still be 80%, even allowing for nuclear and alternative energy sources. There are many familiar examples of combustion use, both domestic and industrial. These range from the Bunsen burner to large flares, from small combustion chambers, such as those in car engines, to industrial furnaces for steel manufacture or the generation of megawatts of electricity. There are also fires and explosions. The bountiful energy release from combustion, however, brings its problems, prominent among which are diminishing fuel resources and pollution. Combustion science is directed towards finding ways of improving efficiency and reducing pollution. One may ask, since combustion is a chemical reaction, why physics is involved: the answer is in three parts. First, chemicals cannot react unless they come together. In most flames the fuel and air are initially separate. The chemical reaction in the gas phase is very fast compared with the rate of mixing. Thus, once the fuel and air are mixed the reaction can be considered to occur instantaneously and fluid mechanics limits the rate of burning. Secondly, thermodynamics and heat transfer determine the thermal properties of the combustion products. Heat transfer also plays a role by preheating the reactants and is essential to extracting useful work. Fluid mechanics is relevant if work is to be performed directly, as in a turbine. Finally, physical methods, including electric probes, acoustics, optics, spectroscopy and pyrometry, are used to examine flames. The article is concerned mainly with how physics is used to improve the efficiency of combustion.

  18. 3rd International Conference on Numerical Combustion

    CERN Document Server

    Larrouturou, Bernard; Numerical Combustion

    1989-01-01

    Interest in numerical combustion is growing among applied mathematicians, physicists, chemists, engine manufacturers and many industrialists. This proceedings volume contains nine invited lectures and twenty seven contributions carefully selected by the editors. The major themes are numerical simulation of transsonic and supersonic combustion phenomena, the study of supersonic reacting mixing layers, and turbulent combustion. Emphasis is laid on hyperbolic models and on numerical simulations of hydrocarbon planes with a complete set of chemical reactions carried out in two-dimensional geometries as well as on complex reactive flow simulations.

  19. Applied combustion

    Energy Technology Data Exchange (ETDEWEB)

    NONE

    1993-12-31

    From the title, the reader is led to expect a broad practical treatise on combustion and combustion devices. Remarkably, for a book of modest dimension, the author is able to deliver. The text is organized into 12 Chapters, broadly treating three major areas: combustion fundamentals -- introduction (Ch. 1), thermodynamics (Ch. 2), fluid mechanics (Ch. 7), and kinetics (Ch. 8); fuels -- coal, municipal solid waste, and other solid fuels (Ch. 4), liquid (Ch. 5) and gaseous (Ch. 6) fuels; and combustion devices -- fuel cells (Ch. 3), boilers (Ch. 4), Otto (Ch. 10), diesel (Ch. 11), and Wankel (Ch. 10) engines and gas turbines (Ch. 12). Although each topic could warrant a complete text on its own, the author addresses each of these major themes with reasonable thoroughness. Also, the book is well documented with a bibliography, references, a good index, and many helpful tables and appendices. In short, Applied Combustion does admirably fulfill the author`s goal for a wide engineering science introduction to the general subject of combustion.

  20. Sandia Combustion Research Program: Annual report, 1986

    Energy Technology Data Exchange (ETDEWEB)

    1986-01-01

    This report presents research results of the past year, divided thematically into some ten categories. Publications and presentations arising from this work are included in the appendix. Our highlighted accomplishment of the year is the announcement of the discovery and demonstration of the RAPRENOx process. This new mechanism for the elimination of nitrogen oxides from essentially all kinds of combustion exhausts shows promise for commercialization, and may eventually make a significant contribution to our nation's ability to control smog and acid rain. The sections of this volume describe the facility's laser and computer system, laser diagnostics of flames, combustion chemistry, reacting flows, liquid and solid propellant combustion, mathematical models of combustion, high-temperature material interfaces, studies of engine/furnace combustion, coal combustion, and the means of encouraging technology transfer. 182 refs., 170 figs., 12 tabs.

  1. Chemical kinetics and combustion modeling

    Energy Technology Data Exchange (ETDEWEB)

    Miller, J.A. [Sandia National Laboratories, Livermore, CA (United States)

    1993-12-01

    The goal of this program is to gain qualitative insight into how pollutants are formed in combustion systems and to develop quantitative mathematical models to predict their formation rates. The approach is an integrated one, combining low-pressure flame experiments, chemical kinetics modeling, theory, and kinetics experiments to gain as clear a picture as possible of the process in question. These efforts are focused on problems involved with the nitrogen chemistry of combustion systems and on the formation of soot and PAH in flames.

  2. Plasma Assisted Combustion: Fundamental Studies and Engine Applications

    Science.gov (United States)

    Lefkowitz, Joseph K.

    Successful and efficient ignition in short residence time environments or ultra-lean mixtures is a key technological challenge for the evolution of advanced combustion devices in terms of both performance and efficiency. To meet this challenge, interest in plasma assisted combustion (PAC) has expanded over the past 20 years. However, understanding of the underlying physical processes of ignition by plasma discharge remains elementary. In order to shed light on the key processes involved, two main thrusts of research were undertaken in this dissertation. First, demonstration of the applicability of plasma discharges in engines and engine-like environments was carried out using a microwave discharge and a nanosecond repetitively pulsed discharge in an internal combustion engine and a pulsed detonation engine, respectively. Major conclusions include the extension of lean ignition limits for both engines, significant reduction of ignition time for mixtures with large minimum ignition energy, and the discovery of the inter-pulse coupling effect of nanosecond repetitively pulsed (NRP) discharges at high frequency. In order to understand the kinetic processes that led to these improvements, the second thrust of research directly explored the chemical kinetic processes of plasma discharges with hydrocarbon fuels. For this purpose, a low pressure flow reactor with a NRP dielectric barrier discharge cell was assembled. The discharge cell was fitted with a Herriott type multipass mirror arrangement, which allowed quantitative laser absorption spectroscopy to be performed in situ during the plasma discharge. Experiments on methane and ethylene mixtures with oxygen, argon, and helium revealed the importance of low temperature oxidation pathways in PAC. In particular, oxygen addition reactions were shown to be of primary importance in the oxidation of these small hydrocarbons in the temperature range of 300-600 K. Kinetic modeling tools, including both a coupled plasma and

  3. Fundamental studies of fuel chemistry as related to internal combustion engine phenomena. Technical progress report, July 1, 1988--June 30, 1989

    Energy Technology Data Exchange (ETDEWEB)

    Dryer, F.L.; Brezinsky, K.

    1989-07-01

    The present research effort was initiated with the intent of providing substantially improved insights (through homogeneous gas phase kinetic studies at different constant pressures) to the fuel chemistry issues important to autoignition in engines. The conditions of the proposed experiments were chosen to represent those similar to the engine parameters under knocking conditions: temperatures in the range of 700--1,100K, pressures from one to approximately 20 atmospheres and stoichiometries around one. A major part of the proposed research has been to design and construct a variable pressure flow reactor facility in which a range of reaction pressures, and in fact, lower reaction temperatures could be accessed. The reactor facility design and construction are nearly complete, and initial testing has begun to compare the overall experimental operating characteristics of the reactor with the design parameters. Experiments on Isobutene/oxygen mixtures have also been conducted in the existing atmospheric pressure flow reactor at about 1,150 K and in an equivalence ratio range of pyrolysis with about 100 ppm oxygen background to 0.42. A detailed kinetic model has been developed to interpret the pyrolysis and oxidation characteristics. 89 refs.

  4. Biofuels combustion.

    Science.gov (United States)

    Westbrook, Charles K

    2013-01-01

    This review describes major features of current research in renewable fuels derived from plants and from fatty acids. Recent and ongoing fundamental studies of biofuel molecular structure, oxidation reactions, and biofuel chemical properties are reviewed, in addition to combustion applications of biofuels in the major types of engines in which biofuels are used. Biofuels and their combustion are compared with combustion features of conventional petroleum-based fuels. Two main classes of biofuels are described, those consisting of small, primarily alcohol, fuels (particularly ethanol, n-butanol, and iso-pentanol) that are used primarily to replace or supplement gasoline and those derived from fatty acids and used primarily to replace or supplement conventional diesel fuels. Research efforts on so-called second- and third-generation biofuels are discussed briefly.

  5. Characterization of hydrocarbon utilizing fungi from hydrocarbon ...

    African Journals Online (AJOL)

    Prof. Ogunji

    hydrocarbon polluted sediments and water .... ecosystem may result in selective increase or decrease in microbial population (Okpokwasili ... been implicated in degradation of hydrocarbons such as crude oil, polyaromatic hydrocarbons and.

  6. Turbulent combustion

    Energy Technology Data Exchange (ETDEWEB)

    Talbot, L.; Cheng, R.K. [Lawrence Berkeley Laboratory, CA (United States)

    1993-12-01

    Turbulent combustion is the dominant process in heat and power generating systems. Its most significant aspect is to enhance the burning rate and volumetric power density. Turbulent mixing, however, also influences the chemical rates and has a direct effect on the formation of pollutants, flame ignition and extinction. Therefore, research and development of modern combustion systems for power generation, waste incineration and material synthesis must rely on a fundamental understanding of the physical effect of turbulence on combustion to develop theoretical models that can be used as design tools. The overall objective of this program is to investigate, primarily experimentally, the interaction and coupling between turbulence and combustion. These processes are complex and are characterized by scalar and velocity fluctuations with time and length scales spanning several orders of magnitude. They are also influenced by the so-called {open_quotes}field{close_quotes} effects associated with the characteristics of the flow and burner geometries. The authors` approach is to gain a fundamental understanding by investigating idealized laboratory flames. Laboratory flames are amenable to detailed interrogation by laser diagnostics and their flow geometries are chosen to simplify numerical modeling and simulations and to facilitate comparison between experiments and theory.

  7. Apparatus for hydrocarbon extraction

    Science.gov (United States)

    Bohnert, George W.; Verhulst, Galen G.

    2013-03-19

    Systems and methods for hydrocarbon extraction from hydrocarbon-containing material. Such systems and methods relate to extracting hydrocarbon from hydrocarbon-containing material employing a non-aqueous extractant. Additionally, such systems and methods relate to recovering and reusing non-aqueous extractant employed for extracting hydrocarbon from hydrocarbon-containing material.

  8. Direct numerical simulation of turbulent combustion: fundamental insights towards predictive models

    Science.gov (United States)

    Hawkes, Evatt R.; Sankaran, Ramanan; Sutherland, James C.; Chen, Jacqueline H.

    2005-01-01

    The advancement of our basic understanding of turbulent combustion processes and the development of physics-based predictive tools for design and optimization of the next generation of combustion devices are strategic areas of research for the development of a secure, environmentally sound energy infrastructure. In direct numerical simulation (DNS) approaches, all scales of the reacting flow problem are resolved. However, because of the magnitude of this task, DNS of practical high Reynolds number turbulent hydrocarbon flames is out of reach of even terascale computing. For the foreseeable future, the approach to this complex multi-scale problem is to employ distinct but synergistic approaches to tackle smaller sub-ranges of the complete problem, which then require models for the small scale interactions. With full access to the spatially and temporally resolved fields, DNS can play a major role in the development of these models and in the development of fundamental understanding of the micro-physics of turbulence-chemistry interactions. Two examples, from simulations performed at terascale Office of Science computing facilities, are presented to illustrate the role of DNS in delivering new insights to advance the predictive capability of models. Results are presented from new three-dimensional DNS with detailed chemistry of turbulent non-premixed jet flames, revealing the differences between mixing of passive and reacting scalars, and determining an optimal lower dimensional representation of the full thermochemical state space.

  9. Investigation on the effect of diaphragm on the combustion characteristics of solid-fuel ramjet

    Science.gov (United States)

    Gong, Lunkun; Chen, Xiong; Yang, Haitao; Li, Weixuan; Zhou, Changsheng

    2017-10-01

    The flow field characteristics and the regression rate distribution of solid-fuel ramjet with three-hole diaphragm were investigated by numerical and experimental methods. The experimental data were obtained by burning high-density polyethylene using a connected-pipe facility to validate the numerical model and analyze the combustion efficiency of the solid-fuel ramjet. The three-dimensional code developed in the present study adopted three-order MUSCL and central difference schemes, AUSMPW + flux vector splitting method, and second-order moment turbulence-chemistry model, together with k-ω shear stress transport (SST) turbulence model. The solid fuel surface temperature was calculated with fluid-solid heat coupling method. The numerical results show that strong circumferential flow exists in the region upstream of the diaphragm. The diaphragm can enhance the regression rate of the solid fuel in the region downstream of the diaphragm significantly, which mainly results from the increase of turbulent viscosity. As the diaphragm port area decreases, the regression rate of the solid fuel downstream of the diaphragm increases. The diaphragm can result in more sufficient mixing between the incoming air and fuel pyrolysis gases, while inevitably producing some pressure loss. The experimental results indicate that the effect of the diaphragm on the combustion efficiency of hydrocarbon fuels is slightly negative. It is conjectured that the diaphragm may have some positive effects on the combustion efficiency of the solid fuel with metal particles.

  10. Cleaner combustion developing detailed chemical kinetic models

    CERN Document Server

    Battin-Leclerc, Frédérique; Blurock, Edward

    2013-01-01

    This overview compiles the on-going research in Europe to enlarge and deepen the understanding of the reaction mechanisms and pathways associated with the combustion of an increased range of fuels. Focus is given to the formation of a large number of hazardous minor pollutants and the inability of current combustion models to predict the  formation of minor products such as alkenes, dienes, aromatics, aldehydes and soot nano-particles which have a deleterious impact on both the environment and on human health. Cleaner Combustion describes, at a fundamental level, the reactive chemistry of min

  11. Atomic Scale Imaging of the Electronic Structure and Chemistry of Graphene and Its Precursors on Metal Surfaces

    Energy Technology Data Exchange (ETDEWEB)

    Flynn, George W. [Columbia Univ., New York, NY (United States)

    2015-02-16

    The objectives of this project were to reveal the mechanisms and reaction processes that solid carbon materials undergo when combining with gases such as oxygen, water vapor and hydrocarbons. This research was focused on fundamental chemical events taking place on single carbon sheets of graphene, a two-dimensional, polycyclic carbon material that possesses remarkable chemical and electronic properties. Ultimately, this work is related to the role of these materials in mediating the formation of polycyclic aromatic hydrocarbons (PAH’s), their reactions at interfaces, and the growth of soot particles. Our intent has been to contribute to a fundamental understanding of carbon chemistry and the mechanisms that control the formation of PAH’s, which eventually lead to the growth of undesirable particulates. We expect increased understanding of these basic chemical mechanisms to spur development of techniques for more efficient combustion of fossil fuels and to lead to a concomitant reduction in the production of undesirable solid carbon material.

  12. Progress on the Combustion Integrated Rack Component of the Fluids and Combustion Facility

    Science.gov (United States)

    Weiland, Karen J.; Urban, Dave (Technical Monitor)

    1999-01-01

    The Fluids and Combustion Facility (FCF) is a facility-class payload planned for the International Space Station. It is designed to accommodate a wide variety of investigations encompassing most of the range of microgravity fluid physics and combustion science. The Combustion Integrated Rack component of the FCF is currently scheduled to be launched in 2003 and will operate independently until additional racks of the FCF are launched. The FCF is intended to complete between five and fifteen combustion experiments per year over its planned ten-year lifetime. Combustion arm that may be studied include laminar flames, reaction kinetics, droplet and spray combustion, flame spread, fire and fire suppressants, condensed phase organic fuel combustion, turbulent combustion, soot and polycyclic aromatic hydrocarbons, and flame-synthesized materials. Three different chamber inserts, one each for investigations of droplet, solid fuel, and gaseous fuel combustion, that can accommodate multiple experiments will be used initially so as to maximize the reuse of hardware. The current flight and flight-definition investigations are briefly described.

  13. Development and Validation of a Reduced DME Mechanism Applicable to Various Combustion Modes in Internal Combustion Engines

    Directory of Open Access Journals (Sweden)

    Gregory T. Chin

    2011-01-01

    Full Text Available A 28-species reduced chemistry mechanism for Dimethyl Ether (DME combustion is developed on the basis of a recent detailed mechanism by Zhao et al. (2008. The construction of reduced chemistry was carried out with automatic algorithms incorporating newly developed strategies. The performance of the reduced mechanism is assessed over a wide range of combustion conditions anticipated to occur in future advanced piston internal combustion engines, such as HCCI, SAHCCI, and PCCI. Overall, the reduced chemistry gives results in good agreement with those from the detailed mechanism for all the combustion modes tested. While the detailed mechanism by Zhao et al. (2008 shows reasonable agreement with the shock tube autoignition delay data, the detailed mechanism requires further improvement in order to better predict HCCI combustion under engine conditions.

  14. Turbulent Combustion in SDF Explosions

    Energy Technology Data Exchange (ETDEWEB)

    Kuhl, A L; Bell, J B; Beckner, V E

    2009-11-12

    A heterogeneous continuum model is proposed to describe the dispersion and combustion of an aluminum particle cloud in an explosion. It combines the gas-dynamic conservation laws for the gas phase with a continuum model for the dispersed phase, as formulated by Nigmatulin. Inter-phase mass, momentum and energy exchange are prescribed by phenomenological models. It incorporates a combustion model based on the mass conservation laws for fuel, air and products; source/sink terms are treated in the fast-chemistry limit appropriate for such gasdynamic fields, along with a model for mass transfer from the particle phase to the gas. The model takes into account both the afterburning of the detonation products of the C-4 booster with air, and the combustion of the Al particles with air. The model equations were integrated by high-order Godunov schemes for both the gas and particle phases. Numerical simulations of the explosion fields from 1.5-g Shock-Dispersed-Fuel (SDF) charge in a 6.6 liter calorimeter were used to validate the combustion model. Then the model was applied to 10-kg Al-SDF explosions in a an unconfined height-of-burst explosion. Computed pressure histories are compared with measured waveforms. Differences are caused by physical-chemical kinetic effects of particle combustion which induce ignition delays in the initial reactive blast wave and quenching of reactions at late times. Current simulations give initial insights into such modeling issues.

  15. Advanced Combustion

    Energy Technology Data Exchange (ETDEWEB)

    Holcomb, Gordon R. [NETL

    2013-03-11

    The activity reported in this presentation is to provide the mechanical and physical property information needed to allow rational design, development and/or choice of alloys, manufacturing approaches, and environmental exposure and component life models to enable oxy-fuel combustion boilers to operate at Ultra-Supercritical (up to 650{degrees}C & between 22-30 MPa) and/or Advanced Ultra-Supercritical conditions (760{degrees}C & 35 MPa).

  16. Self-Organizing Maps for Fast LES Combustion Modeling Project

    Data.gov (United States)

    National Aeronautics and Space Administration — Tremendous advances have been made in the development of large and accurate detailed reaction chemistry models for hydrocarbon fuels. Comparable progress has also...

  17. Concept for lowest emissions of a hydrogen internal combustion engine; Niedrigstemissionskonzept fuer einen wasserstoffbetriebenen Verbrennungsmotor

    Energy Technology Data Exchange (ETDEWEB)

    Fouquet, Marcel Christian Thomas

    2012-03-15

    This paper describes a concept with lowest emissions for a hydrogen internal combustion engine for passenger cars. With optimisation of the combustion concept the level of nitrogen oxide is below 90%, hydrocarbon and carbon monoxide below 99% of the SULEV target (CARB). This concept enables a potential in power density that is comparable to current supercharged combustion engines at lowest emission level without catalytic aftertreatment. Additionally with a catalytic aftertreatment system, the emission level of a current hydrogen combustion engine (mono-fuel) is lowered to a level, that this car can be labeled as air cleaning vehicle for hydrocarbons and carbon monoxide.

  18. Method of treating emissions of a hybrid vehicle with a hydrocarbon absorber and a catalyst bypass system

    Science.gov (United States)

    Roos, Bryan Nathaniel; Gonze, Eugene V; Santoso, Halim G; Spohn, Brian L

    2014-01-14

    A method of treating emissions from an internal combustion engine of a hybrid vehicle includes directing a flow of air created by the internal combustion engine when the internal combustion engine is spinning but not being fueled through a hydrocarbon absorber to collect hydrocarbons within the flow of air. When the hydrocarbon absorber is full and unable to collect additional hydrocarbons, the flow of air is directed through an electrically heated catalyst to treat the flow of air and remove the hydrocarbons. When the hydrocarbon absorber is not full and able to collect additional hydrocarbons, the flow of air is directed through a bypass path that bypasses the electrically heated catalyst to conserve the thermal energy stored within the electrically heated catalyst.

  19. Constant-Pressure Combustion Charts Including Effects of Diluent Addition

    Science.gov (United States)

    Turner, L Richard; Bogart, Donald

    1949-01-01

    Charts are presented for the calculation of (a) the final temperatures and the temperature changes involved in constant-pressure combustion processes of air and in products of combustion of air and hydrocarbon fuels, and (b) the quantity of hydrocarbon fuels required in order to attain a specified combustion temperature when water, alcohol, water-alcohol mixtures, liquid ammonia, liquid carbon dioxide, liquid nitrogen, liquid oxygen, or their mixtures are added to air as diluents or refrigerants. The ideal combustion process and combustion with incomplete heat release from the primary fuel and from combustible diluents are considered. The effect of preheating the mixture of air and diluents and the effect of an initial water-vapor content in the combustion air on the required fuel quantity are also included. The charts are applicable only to processes in which the final mixture is leaner than stoichiometric and at temperatures where dissociation is unimportant. A chart is also included to permit the calculation of the stoichiometric ratio of hydrocarbon fuel to air with diluent addition. The use of the charts is illustrated by numerical examples.

  20. Exhaust after-treatment system with in-cylinder addition of unburnt hydrocarbons

    Science.gov (United States)

    Coleman, Gerald N.; Kesse, Mary L.

    2007-10-30

    Certain exhaust after-treatment devices, at least periodically, require the addition of unburnt hydrocarbons in order to create reductant-rich exhaust conditions. The present disclosure adds unburnt hydrocarbons to exhaust from at least one combustion chamber by positioning, at least partially within a combustion chamber, a mixed-mode fuel injector operable to inject fuel into the combustion chamber in a first spray pattern with a small average angle relative to a centerline of the combustion chamber and a second spray pattern with a large average angle relative to the centerline of the combustion chamber. An amount of fuel is injected in the first spray pattern into a non-combustible environment within the at least one combustion chamber during at least one of an expansion stroke and exhaust stroke. The exhaust with the unburnt amount of fuel is moved into an exhaust passage via an exhaust valve.

  1. Ciento cincuenta años de combustión de hidrocarburos fósiles: las alternativas emergentes One hundred and fyfty years of combustion of fossil hydrocarbons: the emergent alternatives

    Directory of Open Access Journals (Sweden)

    Jorge Laine

    2009-12-01

    Full Text Available Luego de ciento cincuenta años de haberse perforado los primeros pozos comerciales de petróleo que condujeron al uso intensivo de combustibles líquidos para mover los vehículos de transporte, se está arribando al pico de las reservas de petróleo del planeta. Queda aún una buena porción por gastar, con la expectativa de que las consecuencias sean mejores que en la primera parte, la cual ha implicado varias guerras y deterioros del ambiente. Este ensayo aporta un resumen sobre la historia de los combustibles fósiles y sobre la prospectiva de las alternativas energéticas emergentes, poniendo énfasis en la bioenergía como una alternativa para la transición entre la actual era de la combustión y la nueva era de la energía limpia.After one hundred fifty years of drilling first commercial petroleum wells that led to the intensive use of liquid fuels to move transport vehicles, we are arriving at the peak of the world-wide petroleum reserves. Yet, we still have a good portion for spending, with the hope that the consequences will be better than in the first part, which has implied several wars and deteriorations of the environment. This assay brings a review about the history of fossil fuels and with the prospective of the emergent energetic alternatives, placing emphasis on bioenergy as an alternative for the transition between the actual combustion age and the new age of clean energy.

  2. Sandia combustion research program: Annual report, 1987

    Energy Technology Data Exchange (ETDEWEB)

    Palmer, R.E.; Sanders, B.R.; Ivanetich, C.A. (eds.)

    1988-01-01

    More than a decade ago, in response to a national energy crisis, Sandia proposed to the US Department of Energy a new, ambitious program in combustion research. Our strategy was to apply the rapidly increasing capabilities in lasers and computers to combustion science and technology. Shortly thereafter, the Combustion Research Facility (CRF) was established at Sandia's Livermore location. Designated a ''User Facility,'' the charter of the CRF was to develop and maintain special-purpose resources to support a nationwide initiative--involving US universities, industry, and national laboratories--to improve our understanding and control of combustion. This report includes descriptions of several research projects which have been stimulated by Working Groups and involve the on-site participation of industry scientists. DOE's Industry Technology Fellowship Program has been instrumental in the success of some of the joint efforts. The remainder of this report presents research results of calendar year 1987, separated thematically into nine categories. Refereed journal articles appearing in print during 1987, along with selected other publications, are included at the end of Section 10. In addition to our ''traditional'' research--chemistry, reacting flow, diagnostics, engine combustion, and coal combustion--you will note continued progress in somewhat recent themes: pulse combustion, high temperature materials, and energetic materials, for example. Moreover, we have just started a small, new effort to understand combustion-related issues in the management of toxic and hazardous materials.

  3. Initiation Chemistries in Hydrocarbon (Aut)Oxidation.

    Science.gov (United States)

    Sandhiya, Lakshmanan; Zipse, Hendrik

    2015-09-28

    For the (aut)oxidation of toluene to benzyl hydroperoxide, benzyl alcohol, benzaldehyde, and benzoic acid, the thermochemical profiles for various radical-generating reactions have been compared. A key intermediate in all of these reactions is benzyl hydroperoxide, the heat of formation of which has been estimated by using results from CBS-QB3, G4, and G3B3 calculations. Homolytic O-O bond cleavage in this hydroperoxide is strongly endothermic and thus unlikely to contribute significantly to initiation processes. In terms of reaction enthalpies the most favorable initiation process involves bimolecular reaction of benzyl hydroperoxide to yield hydroxy and benzyloxy radicals along with water and benzaldehyde. The reaction enthalpy and free energy of this process is significantly more favorable than those for the unimolecular dissociation of known radical initiators, such as dibenzoylperoxide or dibenzylhyponitrite.

  4. Laser Probes of Propellant Combustion Chemistry.

    Science.gov (United States)

    1987-08-01

    brium dl r ri - bull )’o In the mad et$, Sublevels ’)f the e -ltrt j stat., tho gene - rl’Ing spat tall’y 4’!,, r.spl p l rirlre, fl, )r..s, .n .. The...and CN occurs at 312.22 nm. Using this excitation wavelength, all four radicals may be measured simultaneously in both space and cime . Both advantages

  5. Problems of providing completeness of the methane-containing block-jet combustion in a rocket-ramjet engine's combustion chamber

    Science.gov (United States)

    Timoshenko, Valeriy I.; Belotserkovets, Igor S.; Gusinin, Vjacheslav P.

    2009-11-01

    Some problems of methane-containing hydrocarbon fuel combustion are discussed. It seems that reduction of methane burnout zone length is one from main problems of designing new type engine. It is very important at the creation of combustion chambers of a rocket-ramjet engine for prospective space shuttle launch vehicles.

  6. Combustion Research Laboratory

    Data.gov (United States)

    Federal Laboratory Consortium — The Combustion Research Laboratory facilitates the development of new combustion systems or improves the operation of existing systems to meet the Army's mission for...

  7. High Combustion Research Facility

    Data.gov (United States)

    Federal Laboratory Consortium — At NETL's High-Pressure Combustion Research Facility in Morgantown, WV, researchers can investigate new high-pressure, high-temperature hydrogen turbine combustion...

  8. Chemical Kinetic Modeling of Biofuel Combustion

    Science.gov (United States)

    Sarathy, Subram Maniam

    Bioalcohols, such as bioethanol and biobutanol, are suitable replacements for gasoline, while biodiesel can replace petroleum diesel. Improving biofuel engine performance requires understanding its fundamental combustion properties and the pathways of combustion. This study's contribution is experimentally validated chemical kinetic combustion mechanisms for biobutanol and biodiesel. Fundamental combustion data and chemical kinetic mechanisms are presented and discussed to improve our understanding of biofuel combustion. The net environmental impact of biobutanol (i.e., n-butanol) has not been studied extensively, so this study first assesses the sustainability of n-butanol derived from corn. The results indicate that technical advances in fuel production are required before commercializing biobutanol. The primary contribution of this research is new experimental data and a novel chemical kinetic mechanism for n-butanol combustion. The results indicate that under the given experimental conditions, n-butanol is consumed primarily via abstraction of hydrogen atoms to produce fuel radical molecules, which subsequently decompose to smaller hydrocarbon and oxygenated species. The hydroxyl moiety in n-butanol results in the direct production of the oxygenated species such as butanal, acetaldehyde, and formaldehyde. The formation of these compounds sequesters carbon from forming soot precursors, but they may introduce other adverse environmental and health effects. Biodiesel is a mixture of long chain fatty acid methyl esters derived from fats and oils. This research study presents high quality experimental data for one large fatty acid methyl ester, methyl decanoate, and models its combustion using an improved skeletal mechanism. The results indicate that methyl decanoate is consumed via abstraction of hydrogen atoms to produce fuel radicals, which ultimately lead to the production of alkenes. The ester moiety in methyl decanoate leads to the formation of low molecular

  9. Electrically heated particulate filter regeneration using hydrocarbon adsorbents

    Science.gov (United States)

    Gonze, Eugene V [Pinckney, MI

    2011-02-01

    An exhaust system that processes exhaust generated by an engine is provided. The system generally includes a particulate filter (PF) that filters particulates from the exhaust wherein an upstream end of the PF receives exhaust from the engine. A grid of electrically resistive material selectively heats exhaust passing through the upstream end to initiate combustion of particulates within the PF. A hydrocarbon adsorbent coating applied to the PF releases hydrocarbons into the exhaust to increase a temperature of the combustion of the particulates within the PF.

  10. The hydrocarbon sphere

    Energy Technology Data Exchange (ETDEWEB)

    Mandev, P.

    1984-01-01

    The hydrocarbon sphere is understood to be the area in which hydrocarbon compounds are available. It is believed that the lower boundary on the hydrocarbon sphere is most probably located at a depth where the predominant temperatures aid in the destruction of hydrocarbons (300 to 400 degrees centigrade). The upper limit on the hydrocarbon sphere obviously occurs at the earth's surface, where hydrocarbons oxidize to H20 and CO2. Within these ranges, the occurrence of the hydrocarbon sphere may vary from the first few hundred meters to 15 kilometers or more. The hydrocarbon sphere is divided into the external (mantle) sphere in which the primary gas, oil and solid hydrocarbon fields are located, and the internal (metamorphic) sphere containing primarily noncommercial accumulations of hydrocarbon gases and solid carbon containing compounds (anthraxilite, shungite, graphite, etc.) based on the nature and scale of hydrocarbon compound concentrations (natural gas, oil, maltha, asphalt, asphaltite, etc.).

  11. Towards a detailed soot model for internal combustion engines

    Energy Technology Data Exchange (ETDEWEB)

    Mosbach, Sebastian; Celnik, Matthew S.; Raj, Abhijeet; Kraft, Markus [Department of Chemical Engineering and Biotechnology, University of Cambridge, Pembroke Street, Cambridge CB2 3RA (United Kingdom); Zhang, Hongzhi R. [Department of Chemical Engineering, University of Utah, 1495 East 100 South, Kennecott Research Building, Salt Lake City, UT 84112 (United States); Kubo, Shuichi [Frontier Research Center, Toyota Central R and D Labs., Inc., Nagakute, Aichi 480-1192 (Japan); Kim, Kyoung-Oh [Higashifuji Technical Center, Toyota Motor Corporation, Mishuku 1200, Susono, Shizuoka 480-1193 (Japan)

    2009-06-15

    In this work, we present a detailed model for the formation of soot in internal combustion engines describing not only bulk quantities such as soot mass, number density, volume fraction, and surface area but also the morphology and chemical composition of soot aggregates. The new model is based on the Stochastic Reactor Model (SRM) engine code, which uses detailed chemistry and takes into account convective heat transfer and turbulent mixing, and the soot formation is accounted for by SWEEP, a population balance solver based on a Monte Carlo method. In order to couple the gas-phase to the particulate phase, a detailed chemical kinetic mechanism describing the combustion of Primary Reference Fuels (PRFs) is extended to include small Polycyclic Aromatic Hydrocarbons (PAHs) such as pyrene, which function as soot precursor species for particle inception in the soot model. Apart from providing averaged quantities as functions of crank angle like soot mass, volume fraction, aggregate diameter, and the number of primary particles per aggregate for example, the integrated model also gives detailed information such as aggregate and primary particle size distribution functions. In addition, specifics about aggregate structure and composition, including C/H ratio and PAH ring count distributions, and images similar to those produced with Transmission Electron Microscopes (TEMs), can be obtained. The new model is applied to simulate an n-heptane fuelled Homogeneous Charge Compression Ignition (HCCI) engine which is operated at an equivalence ratio of 1.93. In-cylinder pressure and heat release predictions show satisfactory agreement with measurements. Furthermore, simulated aggregate size distributions as well as their time evolution are found to qualitatively agree with those obtained experimentally through snatch sampling. It is also observed both in the experiment as well as in the simulation that aggregates in the trapped residual gases play a vital role in the soot

  12. Towards a detailed soot model for internal combustion engines

    Energy Technology Data Exchange (ETDEWEB)

    Kraft, Markus; Mosbach, Sebastian; Celnik, Matthew S. [Univ. of Cambridge (United Kingdom); Zhang, Hongzhi R. [Univ. of Utah (United States); Kubo, Shuichi; Kim, Kyoung-Oh [Toyota (Japan)

    2008-07-01

    In this work, we integrate previously developed models for engine combustion and soot formation. Namely, we combine the stochastic reactor model (SRM) engine code, which uses detailed chemistry and takes into account convective heat transfer and turbulent mixing, with SWEEP, a population balance solver based on a Monte Carlo method. In order to couple the two codes, a detailed chemical kinetic mechanism describing the combustion of primary reference fuels (PRFs) is extended to include small Polycyclic Aromatic Hydrocarbons (PAHs) such as pyrene, which function as soot precursor species for particle inception in the soot model. The integrated model provides not only averaged quantities as functions of crank angle like soot mass, volume fraction, aggregate diameter, and the number of primary particles per aggregate for example, but also more detailed information such as aggregate and primary particle size distribution functions. In addition, specifics about aggregate structure and composition, including C/H ratio and PAH ring count distributions, and images similar to those produced with transmission electron microscopes (TEMs), can be obtained. The combined model is applied to simulate an n-heptane fuelled homogeneous charge compression ignition (HCCI) engine which is operated at an equivalence ratio of 1.93. In-cylinder pressure and heat release predictions show satisfactory agreement with measurements. Furthermore, simulated aggregate size distributions as well as their time evolution are found to qualitatively agree with those obtained experimentally through snatch sampling. It is also seen both in the experiment as well as in the simulation that aggregates in the trapped residual gases play a vital role in the soot formation process. (orig.)

  13. Combustion instability modeling and analysis

    Energy Technology Data Exchange (ETDEWEB)

    Santoro, R.J.; Yang, V.; Santavicca, D.A. [Pennsylvania State Univ., University Park, PA (United States)] [and others

    1995-10-01

    It is well known that the two key elements for achieving low emissions and high performance in a gas turbine combustor are to simultaneously establish (1) a lean combustion zone for maintaining low NO{sub x} emissions and (2) rapid mixing for good ignition and flame stability. However, these requirements, when coupled with the short combustor lengths used to limit the residence time for NO formation typical of advanced gas turbine combustors, can lead to problems regarding unburned hydrocarbons (UHC) and carbon monoxide (CO) emissions, as well as the occurrence of combustion instabilities. Clearly, the key to successful gas turbine development is based on understanding the effects of geometry and operating conditions on combustion instability, emissions (including UHC, CO and NO{sub x}) and performance. The concurrent development of suitable analytical and numerical models that are validated with experimental studies is important for achieving this objective. A major benefit of the present research will be to provide for the first time an experimentally verified model of emissions and performance of gas turbine combustors.

  14. Plasma chemistry and organic synthesis

    Science.gov (United States)

    Tezuka, M.

    1980-01-01

    The characteristic features of chemical reactions using low temperature plasmas are described and differentiated from those seen in other reaction systems. A number of examples of applications of plasma chemistry to synthetic reactions are mentioned. The production of amino acids by discharge reactions in hydrocarbon-ammonia-water systems is discussed, and its implications for the origins of life are mentioned.

  15. Spectroscopy, Kinetics, and Dynamics of Combustion Radicals

    Energy Technology Data Exchange (ETDEWEB)

    Nesbitt, David J. [Research/Professor

    2013-08-06

    Spectroscopy, kinetics and dynamics of jet cooled hydrocarbon transients relevant to the DOE combustion mission have been explored, exploiting i) high resolution IR lasers, ii) slit discharge sources for formation of jet cooled radicals, and iii) high sensitivity detection with direct laser absorption methods and near the quantum shot noise limit. What makes this combination powerful is that such transients can be made under high concentrations and pressures characteristic of actual combustion conditions, and yet with the resulting species rapidly cooled (T ≈10-15K) in the slit supersonic expansion. Combined with the power of IR laser absorption methods, this provides novel access to spectral detection and study of many critical combustion species.

  16. Method and apparatus for achieving hypergolic combustion by partial catalytic combustion

    Energy Technology Data Exchange (ETDEWEB)

    Hoppie, L.O.

    1987-03-24

    This patent describes an apparatus for pretreatment of a hydrocarbon fuel for hypergolic combustion in an oxidizing atmosphere in the combustion chamber of a combustion device comprising: a source of fuel; a source of oxidizing fluid; a mixing chamber for receiving oxidizer fluid from the source; means for directing fuel received from the fuel source into the oxidizer fluid in the mixing chamber so as to create a rich fuel-oxidizer fluid mixture therein substantially above the stoichiometric ratio; catalytic reactor means receiving the rich fuel-oxidizer fluid mixture from the mixture from the mixture chamber and partially catalytically combusting the mixture to form a high temperature, hydrogen-rich product gas at temperatures on the order of 1,000 degrees farenheit. It is thereby activated by the formation of a sufficient proportion of fuel molecules to enable hypergolic combustion thereof; means controllably directing the high temperature product gas in the activated state into the combustion chamber, whereby enabling hypergolic combustion therein as a result of the high temperature activated condition of the product gas.

  17. Reduction in Difficulties of Phytomass Combustion by Co-Combustion of Wood Biomass

    Directory of Open Access Journals (Sweden)

    Michal Holubcik

    2016-01-01

    Full Text Available Nowadays, the most used biofuel in Slovak republic is log wood. Alternatively, there are also biofuels based on vegetal biomass (phytomass like wheat straw or grass. The advantage of these biofuels is lower cost price because they are usually considered as waste product. The major disadvantage of these vegetal biofuels is their problematic combustion. It is mainly due to the low ash melting temperature because of chemical composition of ash from phytomass. The low ash melting temperature causes slagging and sintering, which reduce the efficiency of the combustion process. This disadvantage causes very difficult and problematic combustion of phytomass. The article deals the way of trouble reduction during combustion of pellets made from phytomass (specific hay through the wood pellet co-combustion in a standard automatic boiler for combustion of wood pellets. During the experiments, the mixing ratio of hay pellets and wood pellets is varied and subsequently, there is determined its impact on the combustion process, namely on heat output of the boiler, and there is also evaluated the effect of the mixing ratio on the production of carbon monoxide (CO, nitrogen oxides (NOx, sulphur dioxide (SO2, organic hydrocarbons (OGC and particulate matters (PM10, PM2.5.

  18. Diesel oil combustion in fluidized bed; Combustion de aceite diesel en lecho fluidizado

    Energy Technology Data Exchange (ETDEWEB)

    Rodriguez Cazares, Mario [Instituto de Investigaciones Electricas, Cuernavaca (Mexico)

    1992-07-01

    The effect of the fluidized bed depth in the combustion in burning diesel oil in a fluidized bed, was analyzed. A self sustained combustion was achieved injecting the oil with an injector that utilized a principle similar to an automobile carburetor venturi. Three different depths were studied and it was found that the deeper the bed, the greater the combustion efficiency. Combustion efficiencies were attained from 82% for a 100mm bed depth, up to 96% for a 200mm bed depth. The diminution in the efficiency was mainly attributed to unburned hydrocarbons and to the carbon carried over, which was observed in the black smoke at the stack outlet. Other phenomena registered were the temperature gradient between the lower part of the bed and the upper part, caused by the fluidization velocity; additionally it was observed that the air employed for the oil injection (carbureting air) is the most important parameter to attain a complete combustion. [Espanol] Se analizo el efecto de la profundidad del lecho en la combustion al quemar aceite diesel en un lecho fluidizado experimental. Se logro combustion autosostenida inyectando el aceite con un inyector que utilizo un principio similar al venturi del carburador de automovil. Se estudiaron tres diferentes profundidades del lecho y se encontro que a mayor profundidad del lecho, mayor eficiencia de la combustion. Se lograron eficiencias de la combustion desde 82% para el lecho de 100 mm de profundidad hasta 96% para el de 200 mm. La disminucion de la eficiencia se atribuyo, principalmente, a los hidrocarburos no quemados y al carbon arrastrado, lo cual se observo en el humo negro a la salida de la chimenea. Otros fenomenos registrados fueron el gradiente de temperatura entre la parte baja del lecho y la parte superior causado por la velocidad de fluidizacion; ademas, se observo que el aire utilizado para inyectar el aceite (aire de carburacion) es el parametro mas importante para lograr una combustion completa.

  19. Oxygen-enhanced combustion

    CERN Document Server

    Baukal, Charles E

    2013-01-01

    Combustion technology has traditionally been dominated by air/fuel combustion. However, two developments have increased the significance of oxygen-enhanced combustion-new technologies that produce oxygen less expensively and the increased importance of environmental regulations. Advantages of oxygen-enhanced combustion include less pollutant emissions as well as increased energy efficiency and productivity. Oxygen-Enhanced Combustion, Second Edition compiles information about using oxygen to enhance industrial heating and melting processes. It integrates fundamental principles, applications, a

  20. 40 CFR 60.2020 - What combustion units are exempt from this subpart?

    Science.gov (United States)

    2010-07-01

    ... hydrocarbon liquids or solids to produce hydrogen, carbon monoxide, synthesis gas, or other gases for use in... 40 Protection of Environment 6 2010-07-01 2010-07-01 false What combustion units are exempt from..., 2001 Applicability § 60.2020 What combustion units are exempt from this subpart? This subpart...

  1. 40 CFR 62.14525 - Can my combustion unit be exempt from this subpart?

    Science.gov (United States)

    2010-07-01

    ... Stationary Sources: Small Municipal Waste Combustion Units); subpart BBBB of 40 CFR part 60 (Emission Guidelines for Existing Stationary Sources: Small Municipal Waste Combustion Units); or subpart JJJ of 40 CFR... hydrocarbon liquids or solids to produce hydrogen, carbon monoxide, synthesis gas, or other gases for use...

  2. The sixth international congress on toxic combustion byproducts. Technical program and abstract book

    Energy Technology Data Exchange (ETDEWEB)

    NONE

    1999-07-01

    Topics of this proceedings volume are: technical approaches - waste treatment; general toxicology of combustion byproducts; reaction mechanisms (e.g. formation and decomposition of hydrocarbons and chlorinated hydrocarbons, nitrogen oxides); thermal treatment - reactionas at low temperatures; heterogeneous reactions - heterogeneous systems. (SR)

  3. Kinetic double-layer model of aerosol surface chemistry and gas-particle interactions (K2-SURF): Degradation of polycyclic aromatic hydrocarbons exposed to O3, NO2, H2O, OH and NO3

    Science.gov (United States)

    Shiraiwa, Manabu; Garland, Rebecca M.; Pöschl, Ulrich

    2010-05-01

    We present a kinetic double-layer surface model (K2-SURF) that describes the degradation of polycyclic aromatic hydrocarbons (PAHs) on aerosol particles exposed to ozone, nitrogen dioxide, water vapor, hydroxyl and nitrate radicals [1]. The model is based on multiple experimental studies of PAH degradation and on the Pöschl-Rudich-Ammann (PRA) framework [2] for aerosol and cloud surface chemistry and gas-particle interactions. For a wide range of substrates, including solid and liquid organic and inorganic substances (soot, silica, sodium chloride, octanol/decanol, organic acids, etc.), the concentration- and time-dependence of the heterogeneous reaction between PAHs and O3 can be efficiently described with a Langmuir-Hinshelwood-type mechanism. Depending on the substrate material, the Langmuir adsorption constants for O3 vary over three orders of magnitude, and the second-order rate coefficients for the surface layer reaction of O3 with different PAH vary over two orders of magnitude. The available data indicate that the Langmuir adsorption constants for NO2 are similar to those of O3, while those of H2O are several orders of magnitude smaller. The desorption lifetimes and adsorption enthalpies suggest chemisorption of NO2 and O3 and physisorption of H2O. Note, however, that the exact reaction mechanisms, rate limiting steps and possible intermediates still remain to be resolved (e.g., surface diffusion and formation of O atoms or O3- ions at the surface). The K2-SURF model enables the calculation of ozone uptake coefficients, γO3, and of PAH concentrations in the quasi-static particle surface layer. Competitive adsorption and chemical transformation of the surface (aging) lead to a strong non-linear dependence of γO3 on time and gas phase composition, with different characteristics under dilute atmospheric and concentrated laboratory conditions. Under typical ambient conditions, γO3 of PAH-coated aerosol particles are expected to be in the range of 10-6 - 10

  4. Understanding premixed flame chemistry of gasoline fuels by comparing quantities of interest

    KAUST Repository

    Selim, Hatem

    2016-07-23

    Gasoline fuels are complex mixtures that vary in composition depending on crude oil feedstocks and refining processes. Gasoline combustion in high-speed spark ignition engines is governed by flame propagation, so understanding fuel composition effects on premixed flame chemistry is important. In this study, the combustion chemistry of low-pressure, burner-stabilized, premixed flames of two gasoline fuels was investigated under stoichiometric conditions. Flame speciation was conducted using vacuum-ultraviolet synchrotron photoionization time-of-flight molecular beam mass spectroscopy. Stable end-products, intermediate hydrocarbons, and free radicals were detected and quantified. In addition, several isomeric species in the reaction pool were distinguished and quantified with the help of the highly tunable synchrotron radiation. A comparison between the products of both flames is presented and the major differences are highlighted. Premixed flame numerical simulations were conducted using surrogate fuel kinetic models for each flame. Furthermore, a new approach was developed to elucidate the main discrepancies between experimental measurements and the numerical predictions by comparing quantities of interest. © 2016.

  5. Complex Hydrocarbon Chemistry in Interstellar and Solar System Ices Revealed: A Combined Infrared Spectroscopy and Reflectron Time-of-flight Mass Spectrometry Analysis of Ethane (C2H6) and D6-Ethane (C2D6) Ices Exposed to Ionizing Radiation

    Science.gov (United States)

    Abplanalp, Matthew J.; Kaiser, Ralf I.

    2016-08-01

    The irradiation of pure ethane (C2H6/C2D6) ices at 5.5 K, under ultrahigh vacuum conditions was conducted to investigate the formation of complex hydrocarbons via interaction with energetic electrons simulating the secondary electrons produced in the track of galactic cosmic rays. The chemical modifications of the ices were monitored in situ using Fourier transform infrared spectroscopy (FTIR) and during temperature-programmed desorption via mass spectrometry exploiting a quadrupole mass spectrometer with electron impact ionization (EI-QMS) as well as a reflectron time-of-flight mass spectrometer coupled to a photoionization source (PI-ReTOF-MS). FTIR confirmed previous ethane studies by detecting six molecules: methane (CH4), acetylene (C2H2), ethylene (C2H4), the ethyl radical (C2H5), 1-butene (C4H8), and n-butane (C4H10). However, the TPD phase, along with EI-QMS, and most importantly, PI-ReTOF-MS, revealed the formation of at least 23 hydrocarbons, many for the first time in ethane ice, which can be arranged in four groups with an increasing carbon-to-hydrogen ratio: C n H2n+2 (n = 3, 4, 6, 8, 10), C n H2n (n = 3-10), {{{C}}}n{{{H}}}2n-2 (n = 3-10), and {{{C}}}n{{{H}}}2n-4 (n = 4-6). The processing of simple ethane ices is relevant to the hydrocarbon chemistry in the interstellar medium, as ethane has been shown to be a major product of methane, as well as in the outer solar system. These data reveal that the processing of ethane ices can synthesize several key hydrocarbons such as C3H4 and C4H6 isomers, which ha­ve been found to synthesize polycyclic aromatic hydrocarbons like indene (C9H8) and naphtha­lene (C10H8) in the ISM and in hydrocarbon-rich atmospheres of planets and their moons such as Titan.

  6. Raman characteristics of hydrocarbon and hydrocarbon inclusions

    Institute of Scientific and Technical Information of China (English)

    ZHANG Nai; TIAN ZuoJi; LENG YingYing; WANG HuiTong; SONG FuQing; MENG JianHua

    2007-01-01

    The Raman spectrograms of hydrocarbon standard samples show that: (1) the Raman spectrogram of normal paraffin has very strong peaks of methyl and methylene (from 2700 cm-1 to 2970 cm-1); (2)branch methyl has the particular peak of 748 cm-1±; (3) six cyclic has the particular peak of 804 cm-1±; (4)phenyl has two particular peaks of 988 cm-1± and 3058 cm-1± and the 988 cm-1± peak is stronger than the 3058 cm-1± peak; and (5) hexene has three alkenyl spectrum peaks of 1294 cm-1±, 1635 cm-1± and 2996 cm-1±, with the 1635 cm-1± peak being the strongest, showing that the number of carbon in hydrocarbon does not affect its Raman spectrogram, and the hydrocarbon molecular structure and base groups affect its Raman spectrogram, the same hydrocarbons (such as normal paraffin) have the same Raman spectrogram; the types (such as CH4, C2H6, C3H8) and the content of hydrocarbon in oil inclusions are not estimated by their characteristic Raman peaks. According to the Raman spectrograms of hydrocarbon compositions, the Raman spectrogram of hydrocarbon inclusion can be divided into five types: saturated hydrocarbon Raman spectrogram, fluoresce Raman spectrogram, saturated hydrocarbon bitumen Raman spectrogram, bitumen Raman spectrogram, and ethane Raman spectrogram.And according to the characteristics of Raman spectrogram, hydrocarbon inclusions can be divided into five types: saturated hydrocarbon inclusion, less saturated hydrocarbon (oil or gas) inclusion,saturated hydrocarbon bitumen inclusion, bitumen inclusion, and methane water inclusion.

  7. Raman characteristics of hydrocarbon and hydrocarbon inclusions

    Institute of Scientific and Technical Information of China (English)

    2007-01-01

    The Raman spectrograms of hydrocarbon standard samples show that: (1) the Raman spectrogram of normal paraffin has very strong peaks of methyl and methylene (from 2700 cm-1 to 2970 cm-1); (2) branch methyl has the particular peak of 748 cm-1±; (3) six cyclic has the particular peak of 804 cm-1±; (4) phenyl has two particular peaks of 988 cm-1± and 3058 cm-1± and the 988 cm-1± peak is stronger than the 3058 cm-1± peak; and (5) hexene has three alkenyl spectrum peaks of 1294 cm-1±, 1635 cm-1± and 2996 cm-1±, with the 1635 cm-1± peak being the strongest, showing that the number of carbon in hy-drocarbon does not affect its Raman spectrogram, and the hydrocarbon molecular structure and base groups affect its Raman spectrogram, the same hydrocarbons (such as normal paraffin) have the same Raman spectrogram; the types (such as CH4, C2H6, C3H8) and the content of hydrocarbon in oil inclu-sions are not estimated by their characteristic Raman peaks. According to the Raman spectrograms of hydrocarbon compositions, the Raman spectrogram of hydrocarbon inclusion can be divided into five types: saturated hydrocarbon Raman spectrogram, fluoresce Raman spectrogram, saturated hydro-carbon bitumen Raman spectrogram, bitumen Raman spectrogram, and ethane Raman spectrogram. And according to the characteristics of Raman spectrogram, hydrocarbon inclusions can be divided into five types: saturated hydrocarbon inclusion, less saturated hydrocarbon (oil or gas) inclusion, saturated hydrocarbon bitumen inclusion, bitumen inclusion, and methane water inclusion.

  8. Combustion optimization and HCCI modeling for ultra low emission

    Energy Technology Data Exchange (ETDEWEB)

    Koten, Hasan; Yilmaz, Mustafa; Zafer Gul, M. [Marmara University Mechanical Engineering Department (Turkey)], E-mail: hasan.koten@marmara.edu.tr

    2011-07-01

    With the coming shortage of fossil fuels and the rising concerns over the environment it is important to develop new technologies both to reduce energy consumption and pollution at the same time. In the transportation sector, new combustion processes are under development to provide clean diesel combustion with no particulate or NOx emissions. However, these processes have issues such as limited power output, high levels of unburned hydrocarbons, and carbon monoxide emissions. The aim of this paper is to present a methodology for optimizing combustion performance. The methodology consists of the use of a multi-objective genetic algorithm optimization tool; homogeneous charge compression ignition engine cases were studied with the ECFM-3Z combustion model. Results showed that injected fuel mass led to a decrease in power output, a finding which is in keeping with previous research. This paper presented on optimization tool which can be useful in improving the combustion process.

  9. Performance of PAHs emission from bituminous coal combustion

    Institute of Scientific and Technical Information of China (English)

    严建华; 尤孝方; 李晓东; 倪明江; 尹雪峰; 岑可法

    2004-01-01

    Carcinogenic and mutagenic polycyclic aromatic hydrocarbons (PAHs) generated in coal combustion have caused great environmental health concern. Seventeen PAHs (16 high priority PAHs recommended by USEPA plus Benzo[e]pyrene) present in five raw bituminous coals and released during bituminous coal combustion were studied. The effects of combustion temperature, gas atmosphere, and chlorine content of raw coal on PAHs formation were investigated. Two additives (copper and cupric oxide) were added when the coal was burned. The results indicated that significant quantities of PAHs were produced from incomplete combustion of coal pyrolysis products at high temperature, and that temperature is an important causative factor of PAHs formation. PAHs concentrations decrease with the increase of chlorine content in oxygen or in nitrogen atmosphere. Copper and cupric oxide additives can promote PAHs formation (especially the multi-ring PAHs) during coal combustion.

  10. Combustion 2000

    Energy Technology Data Exchange (ETDEWEB)

    A. Levasseur; S. Goodstine; J. Ruby; M. Nawaz; C. Senior; F. Robson; S. Lehman; W. Blecher; W. Fugard; A. Rao; A. Sarofim; P. Smith; D. Pershing; E. Eddings; M. Cremer; J. Hurley; G. Weber; M. Jones; M. Collings; D. Hajicek; A. Henderson; P. Klevan; D. Seery; B. Knight; R. Lessard; J. Sangiovanni; A. Dennis; C. Bird; W. Sutton; N. Bornstein; F. Cogswell; C. Randino; S. Gale; Mike Heap

    2001-06-30

    . To achieve these objectives requires a change from complete reliance of coal-fired systems on steam turbines (Rankine cycles) and moving forward to a combined cycle utilizing gas turbines (Brayton cycles) which offer the possibility of significantly greater efficiency. This is because gas turbine cycles operate at temperatures well beyond current steam cycles, allowing the working fluid (air) temperature to more closely approach that of the major energy source, the combustion of coal. In fact, a good figure of merit for a HIPPS design is just how much of the enthalpy from coal combustion is used by the gas turbine. The efficiency of a power cycle varies directly with the temperature of the working fluid and for contemporary gas turbines the optimal turbine inlet temperature is in the range of 2300-2500 F (1260-1371 C). These temperatures are beyond the working range of currently available alloys and are also in the range of the ash fusion temperature of most coals. These two sets of physical properties combine to produce the major engineering challenges for a HIPPS design. The UTRC team developed a design hierarchy to impose more rigor in our approach. Once the size of the plant had been determined by the choice of gas turbine and the matching steam turbine, the design process of the High Temperature Advanced Furnace (HITAF) moved ineluctably to a down-fired, slagging configuration. This design was based on two air heaters: one a high temperature slagging Radiative Air Heater (RAH) and a lower temperature, dry ash Convective Air Heater (CAH). The specific details of the air heaters are arrived at by an iterative sequence in the following order:-Starting from the overall Cycle requirements which set the limits for the combustion and heat transfer analysis-The available enthalpy determined the range of materials, ceramics or alloys, which could tolerate the temperatures-Structural Analysis of the designs proved to be the major limitation-Finally the commercialization

  11. Combustion 2000

    Energy Technology Data Exchange (ETDEWEB)

    A. Levasseur; S. Goodstine; J. Ruby; M. Nawaz; C. Senior; F. Robson; S. Lehman; W. Blecher; W. Fugard; A. Rao; A. Sarofim; P. Smith; D. Pershing; E. Eddings; M. Cremer; J. Hurley; G. Weber; M. Jones; M. Collings; D. Hajicek; A. Henderson; P. Klevan; D. Seery; B. Knight; R. Lessard; J. Sangiovanni; A. Dennis; C. Bird; W. Sutton; N. Bornstein; F. Cogswell; C. Randino; S. Gale; Mike Heap

    2001-06-30

    . To achieve these objectives requires a change from complete reliance of coal-fired systems on steam turbines (Rankine cycles) and moving forward to a combined cycle utilizing gas turbines (Brayton cycles) which offer the possibility of significantly greater efficiency. This is because gas turbine cycles operate at temperatures well beyond current steam cycles, allowing the working fluid (air) temperature to more closely approach that of the major energy source, the combustion of coal. In fact, a good figure of merit for a HIPPS design is just how much of the enthalpy from coal combustion is used by the gas turbine. The efficiency of a power cycle varies directly with the temperature of the working fluid and for contemporary gas turbines the optimal turbine inlet temperature is in the range of 2300-2500 F (1260-1371 C). These temperatures are beyond the working range of currently available alloys and are also in the range of the ash fusion temperature of most coals. These two sets of physical properties combine to produce the major engineering challenges for a HIPPS design. The UTRC team developed a design hierarchy to impose more rigor in our approach. Once the size of the plant had been determined by the choice of gas turbine and the matching steam turbine, the design process of the High Temperature Advanced Furnace (HITAF) moved ineluctably to a down-fired, slagging configuration. This design was based on two air heaters: one a high temperature slagging Radiative Air Heater (RAH) and a lower temperature, dry ash Convective Air Heater (CAH). The specific details of the air heaters are arrived at by an iterative sequence in the following order:-Starting from the overall Cycle requirements which set the limits for the combustion and heat transfer analysis-The available enthalpy determined the range of materials, ceramics or alloys, which could tolerate the temperatures-Structural Analysis of the designs proved to be the major limitation-Finally the commercialization

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

    Science.gov (United States)

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

    2011-04-01

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

  13. Fundamental spectroscopic studies of carbenes and hydrocarbon radicals

    Energy Technology Data Exchange (ETDEWEB)

    Gottlieb, C.A.; Thaddeus, P. [Harvard Univ., Cambridge, MA (United States)

    1993-12-01

    Highly reactive carbenes and carbon-chain radicals are studied at millimeter wavelengths by observing their rotational spectra. The purpose is to provide definitive spectroscopic identification, accurate spectroscopic constants in the lowest vibrational states, and reliable structures of the key intermediates in reactions leading to aromatic hydrocarbons and soot particles in combustion.

  14. Combustion energy frontier research center (CEFRC) final report (August 1, 2009 – July 31, 2016)

    Energy Technology Data Exchange (ETDEWEB)

    Law, Chung [Princeton Univ., NJ (United States)

    2017-05-05

    -design rapid compression ignition instruments; and 4) develop a suite of validated petascale high-fidelity simulation and modeling capabilities to understand and predict chemistry-turbulence-radiation coupling for new fuels in new regimes, including the high pressure, low-temperature combustion in advanced engine and turbine designs, and 5) establish a knowledge highway between researchers and engineers in academia, national laboratories, and industry to facilitate the dissemination and exchange of knowledge on national and international levels, and enrich the talent pool and capabilities of the next generation of combustion scientists and engineers. The technical activities of the CEFRC were conducted through three Disciplinary Working Groups – Chemistry Theory, Experiment and Mechanism, and Reacting Flows, which coordinated the Center’s research on the development of combustion chemistry of Foundation Fuels (C0–C4 hydrocarbons), Alcohols, and Biodiesel through three corresponding Mechanism Thrust Groups. Such a two-dimensional coordinated and tightly interwoven research structure has been proven to be highly effective in assuring the interplay between the developments of the fundamentals of combustion science and the utilization of the various categories of fuels. The Center has accomplished the above goals over the five year period (August 1, 2009 – July 31, 2014) with appropriated funding, followed by two additional no-cost-extension (NCE) years. The research results are documented in 230 journal publications, with six legacy review papers on the study of combustion chemistry using shock tubes, flow reactors, rapid compression machines, and flames, on uncertainty quantification, and on theoretical reaction dynamics and chemical modeling of combustion. A robust outreach program complemented these PI-led research activities, consisting of: 1) a roving post-doc program comprised of a corps of Center-appointed, co- or multi-sponsored post-doctoral fellows with rotating

  15. Evaluation of reduced chemical kinetic mechanisms used for modeling mild combustion for natural gas

    Directory of Open Access Journals (Sweden)

    Hamdi Mohamed

    2009-01-01

    Full Text Available A numerical and parametric study was performed to evaluate the potential of reduced chemistry mechanisms to model natural gas chemistry including NOx chemistry under mild combustion mode. Two reduced mechanisms, 5-step and 9-step, were tested against the GRI-Mech3.0 by comparing key species, such as NOx, CO2 and CO, and gas temperature predictions in idealized reactors codes under mild combustion conditions. It is thus concluded that the 9-step mechanism appears to be a promising reduced mechanism that can be used in multi-dimensional codes for modeling mild combustion of natural gas.

  16. On supersonic combustion

    Institute of Scientific and Technical Information of China (English)

    袁生学

    1999-01-01

    Some basic concepts and features of supersonic combustion are explained from the view point of macroscopic aerodynamics. Two kinds of interpretations of supersonic combustion are proposed. The difference between supersonic combustion and subsonic combustion is discussed, and the mechanism of supersonic combustion propagation and the limitation of heat addition in supersonic flow are pointed out. The results of the calculation of deflagration in supersonic flow show that the entropy increment and the total pressure loss of the combustion products may decrease with the increase of combustion velocity. It is also demonstrated that the oblique detonation wave angle may not be controlled by the wedge angle under weak underdriven solution conditions and be determined only by combustion velocity. Therefore, the weak underdriven solution may become self-sustaining oblique detonation waves with a constant wave angle.

  17. Combustion Research Facility

    Data.gov (United States)

    Federal Laboratory Consortium — For more than 30 years The Combustion Research Facility (CRF) has served as a national and international leader in combustion science and technology. The need for a...

  18. Organic chemistry on Titan

    Science.gov (United States)

    Chang, S.; Scattergood, T.; Aronowitz, S.; Flores, J.

    1979-01-01

    Features taken from various models of Titan's atmosphere are combined in a working composite model that provides environmental constraints within which different pathways for organic chemical synthesis are determined. Experimental results and theoretical modeling suggest that the organic chemistry of the satellite is dominated by two processes: photochemistry and energetic particle bombardment. Photochemical reactions of CH4 in the upper atmosphere can account for the presence of C2 hydrocarbons. Reactions initiated at various levels of the atmosphere by cosmic rays, Saturn 'wind', and solar wind particle bombardment of a CH4-N2 atmospheric mixture can account for the UV-visible absorbing stratospheric haze, the reddish appearance of the satellite, and some of the C2 hydrocarbons. In the lower atmosphere photochemical processes will be important if surface temperatures are sufficiently high for gaseous NH3 to exist. It is concluded that the surface of Titan may contain ancient or recent organic matter (or both) produced in the atmosphere.

  19. FORMATION OF POLYCYCLIC AROMATIC HYDROCARBONS AND THEIR GROWTH TO SOOT -A REVIEW OF CHEMICAL REACTION PATHWAYS. (R824970)

    Science.gov (United States)

    The generation by combustion processes of airborne species of current health concern such as polycyclic aromatic hydrocarbons (PAH) and soot particles necessitates a detailed understanding of chemical reaction pathways responsible for their formation. The present review discus...

  20. Large eddy simulation and combustion instabilities; Simulation des grandes echelles et instabilites de combustion

    Energy Technology Data Exchange (ETDEWEB)

    Lartigue, G.

    2004-11-15

    The new european laws on pollutants emission impose more and more constraints to motorists. This is particularly true for gas turbines manufacturers, that must design motors operating with very fuel-lean mixtures. Doing so, pollutants formation is significantly reduced but the problem of combustion stability arises. Actually, combustion regimes that have a large excess of air are naturally more sensitive to combustion instabilities. Numerical predictions of these instabilities is thus a key issue for many industrial involved in energy production. This thesis work tries to show that recent numerical tools are now able to predict these combustion instabilities. Particularly, the Large Eddy Simulation method, when implemented in a compressible CFD code, is able to take into account the main processes involved in combustion instabilities, such as acoustics and flame/vortex interaction. This work describes a new formulation of a Large Eddy Simulation numerical code that enables to take into account very precisely thermodynamics and chemistry, that are essential in combustion phenomena. A validation of this work will be presented in a complex geometry (the PRECCINSTA burner). Our numerical results will be successfully compared with experimental data gathered at DLR Stuttgart (Germany). Moreover, a detailed analysis of the acoustics in this configuration will be presented, as well as its interaction with the combustion. For this acoustics analysis, another CERFACS code has been extensively used, the Helmholtz solver AVSP. (author)

  1. Organic emissions in coal combustion in relation to coal structure and combustion temperature

    Energy Technology Data Exchange (ETDEWEB)

    Bruinsma, O.S.L.; Verhagen, E.J.H.; Moulijn, J.A.

    1985-10-01

    The pulsed combustion of coal has been studied in a small fluidized-bed reactor. The effect of combustion temperature and coal rank on the organic composition of the off-gas was investigated. Results are presented for the combustion of an anthracite, a medium-volatile bituminous coal and a high-volatile bituminous coal at 700, 800 and 900 C. The analytical techniques used include on-line FT-IR, O2 monitoring, FID and off-line GC-MS using Tenax as adsorbent. About 120 hydrocarbons were found, of which over 80% have been identified. Overall combustion characteristics such as oxygen consumption, total amount of unburned hydrocarbons and swelling properties of the coal have been related to the composition of the organic substances in the off-gas. The distribution of the polycyclic aromatics, from benzene to chrysene, and of alkylated derivatives is discussed in detail. Oxygen-containing compounds have also been analysed, although detailed discussion would be premature. 20 references.

  2. Nitrogen release during coal combustion

    Energy Technology Data Exchange (ETDEWEB)

    Baxter, L.L.; Mitchell, R.E.; Fletcher, T.H.; Hurt, R.H.

    1995-02-01

    Experiments in entrained flow reactors at combustion temperatures are performed to resolve the rank dependence of nitrogen release on an elemental basis for a suite of 15 U.S. coals ranging from lignite to low-volatile bituminous. Data were obtained as a function of particle conversion, with overall mass loss up to 99% on a dry, ash-free basis. Nitrogen release rates are presented relative to both carbon loss and overall mass loss. During devolatilization, fractional nitrogen release from low-rank coals is much slower than fractional mass release and noticeably slower than fractional carbon release. As coal rank increases, fractional nitrogen release rate relative to that of carbon and mass increases, with fractional nitrogen release rates exceeding fractional mass and fractional carbon release rates during devolatilization for high-rank (low-volatile bituminous) coals. At the onset of combustion, nitrogen release rates increase significantly. For all coals investigated, cumulative fractional nitrogen loss rates relative to those of mass and carbon passes through a maximum during the earliest stages of oxidation. The mechanism for generating this maximum is postulated to involve nascent thermal rupture of nitrogen-containing compounds and possible preferential oxidation of nitrogen sites. During later stages of oxidation, the cumulative fractional loss of nitrogen approaches that of carbon for all coals. Changes in the relative release rates of nitrogen compared to those of both overall mass and carbon during all stages of combustion are attributed to a combination of the chemical structure of coals, temperature histories during combustion, and char chemistry.

  3. Contrail: A Module from Physical Chemistry On-Line Project

    Science.gov (United States)

    Chen, Franklin; Zielinski, Theresa Julia; Long, George

    2007-01-01

    The impact of contrails on Earth's climate is researched to understand the active area. It is suggested that the process of contrail formation involves combustion, cooling and ice formation, which are good comprehensive learning exercise for physical chemistry students.

  4. Compounded turbocharged rotary internal combustion engine fueled with natural gas

    Energy Technology Data Exchange (ETDEWEB)

    Jenkins, P.E.

    1992-10-15

    This patent describes a compounded engine. It comprises: a first Wankel engine having a housing with a trochoidal inner surface containing a generally triangular shaped rotor, the engine containing a fuel supply system suitable for operating the engine with natural gas as a fuel; a turbocharge compressing air for combustion by the engine, the turbocharger being driven by the exhaust gases which exit from the engine; a combustion chamber in fluid communication with the exhaust from the engine after that exhaust has passed through the turbocharger, the chamber having an ignition device suitable for igniting hydrocarbons in the engine exhaust, whereby the engine timing, and the air and fuel mixture of the engine are controlled so that when the engine exhaust reaches the combustion chamber the exhaust contains a sufficient amount of oxygen and hydrocarbons to enable ignition and combustion of the engine exhaust in the combustion chamber without the addition of fuel or air, and whereby the engine operating conditions are controlled to vary the performance of the secondary combustor; and a controllable ignition device to ignite the exhaust gases in the combustion chamber at predetermined times.

  5. Mechanisms for the formation of exhaust hydrocarbons in a single cylinder spark-ignition engine, fueled with deuterium-labeled ortho-, meta-, and para-xylene

    Energy Technology Data Exchange (ETDEWEB)

    Gregory, D.; Jackson, R.A. [Univ. of Sussex, Brighton (United Kingdom). School of Chemistry, Physics and Environmental Science; Bennett, P.J. [BP Oil, Sunbury-on-Thames (United Kingdom)

    1999-08-01

    Combustion studies in engines have investigated the chemistry leading to the formation in the exhaust of aromatic hydrocarbons from deuterium-labeled isomeric xylenes. These fuels were: ortho-xylene-d{sub 0} and ortho-xylene=d{sub 10} (1:1); para-xylene-d{sub 0} and para-xylene-d{sub 10} (1:1); and meta-xylene-2,4,5,6-d{sub 4}. Isotopic distributions within the exhausted hydrocarbons establish the postflame chemistry involved. There is an isotope effect in the consumption of residual fuel in the postflame region. The residual fuel from each experiment exhibits minimal H-D exchange. Toluene is an intermediate in the formation of ethylbenzene, and is produced through X{sup {sm_bullet}} atom (X{sup {sm_bullet}} = H or D) displacement of methyl radicals from the xylene fuel. Benzene is formed by direct demethylation, but there are other routes. Styrene from o- and p-xylene fuels is formed intramolecularly, probably involving xylylene and methylcycloheptatetraene intermediates. Ethyltoluene is formed by combination of methyl and methylbenzyl radicals.

  6. Mechanism of plasma-assisted ignition for H2 and C1-C5 hydrocarbons

    Science.gov (United States)

    Starikovskiy, Andrey; Aleksandrov, Nikolay

    2016-09-01

    Nonequilibrium plasma demonstrates ability to control ultra-lean, ultra-fast, low-temperature flames and appears to be an extremely promising technology for a wide range of applications, including aviation GTEs, piston engines, ramjets, scramjets and detonation initiation for pulsed detonation engines. To use nonequilibrium plasma for ignition and combustion in real energetic systems, one must understand the mechanisms of plasma-assisted ignition and combustion and be able to numerically simulate the discharge and combustion processes under various conditions. A new, validated mechanism for high-temperature hydrocarbon plasma assisted combustion was built and allows to qualitatively describe plasma-assisted combustion close and above the self-ignition threshold. The principal mechanisms of plasma-assisted ignition and combustion have been established and validated for a wide range of plasma and gas parameters. These results provide a basis for improving various energy-conversion combustion systems, from automobile to aircraft engines, using nonequilibrium plasma methods.

  7. Cool Sooting Flames of Hydrocarbons

    Institute of Scientific and Technical Information of China (English)

    Z.A. MANSUROV

    2001-01-01

    This paper presents the study of polycyclic aromatic hydrocarbons (PAH) and paramagnetism of soot particles sampled from cool sooting flames of methane and propane in a separately-heated two-sectional reactor under atmospheric pressure at the reactor temperatures of 670-1170 K. The temperature profiles of the flames were studied. The sampling was carried out with a quartz sampler and the samples were frozen with liquid nitrogen. A number of polyaromatic hydrocarbons such as pyrene, fluoranthene, coronene, anthanthrene, 1,12-benzperylene,were identified by spectroscopic methods in the extract of soot. The processes of soot formation at methaneoxygen mixture combustion in the electric field with applied potential changed from 0 to 2,2 kV at different polarity of electrodes have been investigated. It has been stated that at the electrical field application, an increase in soot particle sizes and soot yield occurs; besides, at the application of the field, speeding up the positively charged particles, the interplanar distance decreases. On the basis of investigation of soot particles paramagnetism, it was shown that initially soot particles have high carcinogetic activity and pollute the environment owing to a rapid decrease of the number of these radical centers. The reduction of the radical concentration is connected with radical recombination on soot.

  8. Presidential Green Chemistry Challenge: 2014 Small Business Award

    Science.gov (United States)

    Presidential Green Chemistry Challenge 2014 award winner, Amyris, engineered yeast to make a chemical called farnesene, which is a building block hydrocarbon that can be converted into a renewable, drop-in replacement for petroleum diesel.

  9. Implications for Extraterrestrial Hydrocarbon Chemistry: Analysis of Ethylene (C2H4) and D4-Ethylene (C2D4) Ices Exposed to Ionizing Radiation via Combined Infrared Spectroscopy and Reflectron Time-of-flight Mass Spectrometry

    Science.gov (United States)

    Abplanalp, Matthew J.; Kaiser, Ralf I.

    2017-02-01

    The processing of the hydrocarbon ice, ethylene (C2H4/C2D4), via energetic electrons, thus simulating the processes in the track of galactic cosmic-ray particles, was carried out in an ultrahigh vacuum apparatus. The chemical evolution of the ices was monitored online and in situ utilizing Fourier transform infrared spectroscopy (FTIR) and during temperature programmed desorption, via a quadrupole mass spectrometer utilizing electron impact ionization (EI-QMS) and a reflectron time-of-flight mass spectrometer utilizing a photoionization source (PI-ReTOF-MS). Several previous in situ studies of ethylene ice irradiation using FTIR were substantiated with the detection of six products: [CH4 (CD4)], acetylene [C2H2 (C2D2)], the ethyl radical [C2H5 (C2D5)], ethane [C2H6 (C2D6)], 1-butene [C4H8 (C4D8)], and n-butane [C4H10 (C4D10)]. Contrary to previous gas phase studies, the PI-ReTOF-MS detected several groups of hydrocarbon with varying degrees of saturation: C n H2n+2 (n = 4–10), C n H2n (n = 2–12, 14, 16), C n H2n‑2 (n = 3–12, 14, 16), C n H2n‑4 (n = 4–12, 14, 16), C n H2n‑6 (n = 4–10, 12), C n H2n‑8 (n = 6–10), and C n H2n‑10 (n = 6–10). Multiple laboratory studies have shown the facile production of ethylene from methane, which is a known ice constituent in the interstellar medium. Various astrophysically interesting molecules can be associated with the groups detected here, such as allene/methylacetylene (C3H4) or 1, 3-butadiene (C4H6) and its isomers, which have been shown to lead to polycyclic aromatic hydrocarbons. Finally, several hydrocarbon groups detected here are unique to ethylene ice versus ethane ice and may provide understanding of how complex hydrocarbons form in astrophysical environments.

  10. 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

  11. Appraisal of biomass combustion biomarkers to track the paleo-occurrence of forest fires

    Science.gov (United States)

    Rivas-Ruiz, P.; Cao, M.; Rosell Mele, A.

    2015-12-01

    Wildfires influence many aspects of the Earth system, including ecosystem distribution, biodiversity, the carbon cycle, atmospheric chemistry and climate. The challenge is disentangling the various controls of fire, partly because of their diversity, and also because fire was impossible to observe and analyse as a global phenomenon until the satellite era. The study of ancient climates can be helpful to understand the natural drivers of wildfires. However, the reconstruction of wildfires is limited by the nature of the proxies available, chiefly charcoal, which only represents a portion of the carbon combustion continuum. In here we evaluate the application molecular combustion biomarkers. For this purpose we have compiled an extensive collection of soils and lacustrine sediments representative of the humid to arid environments, which encompass the wide range of climates and ecosystems within the Iberian peninsula. We have measured the abundance of a monosaccharide anhydride (MA) biomarker called levoglucosan (1,6-anhydro-β-D-glucopyranose) and polyaromatic hydrocarbons (PAHs), as well as general plant biomarkers such as n-alkanes. To discern between biogenic and/or anthropogenic combustion sources and the nature of fires we have investigated the use of levoglucosan, retene (PAH generated during combustion of conifer trees) and PAHs ratios such as phenantrane/anthracene and fluoranthene/pyrene. Charcoal (>150 microns) has also been measured in the lake samples to contribute in the assessment of local vs. regions fire signals. The final objective is to constrain the use of the molecular proxies as quantitative biomass combustion paleoproxies. The data obtained has been mapped and compared to the documented occurrence of wildfires in Spain over the last two decades, and mesoescale patterns of atmospheric circulation and particle transport. Results show that the occurrence of levoglucosan and PAHs is widespread in modern soils and sediments in Iberia. Chemical

  12. Combustion Enhancement Using a Silent Discharge Plasma Reactor

    Science.gov (United States)

    Rosocha, Louis; Platts, David; Coates, Don; Stange, Sy

    2003-10-01

    Electric fields affect flame propagation speed, stability, and combustion chemistry. External electrodes, arc discharges, and plasma jets have been used to combust gas mixtures outside their flammability limits. Experiments with silent electrical discharges (SEDs) and propagating flames have shown that flame propagation velocity is actually decreased (combustion retarded) when an SED is applied directly to the flame region, but velocity is increased (combustion promoted) when applied to the unburned gas mixture upstream of a flame. More recent work has proposed electric arc/microwave-driven plasma-generating fuel nozzles to produce dissociated fuel or ionized fuel for aircraft gas turbine engine combustor mixers. In contrast to prior works, we have used a silent discharge plasma (SDP) reactor to break up large fuel molecules into smaller molecules and create free radicals/active species in a gas stream before the fuel is mixed with an oxidizer and combusted. A cylindrical SDP reactor was used to 'activate' propane before mixing it with air and igniting the combustible gas mixture. With the plasma, the physical appearance of the flame changes and substantial changes in mass spectrometer fragmentation peaks for fuel and combustion products are observed (i.e., combustion is enhanced). Results of changes in the degree of combustion will be discussed in terms of variations in the plasma specific energy.

  13. Radiative heat transfer in turbulent combustion systems theory and applications

    CERN Document Server

    Modest, Michael F

    2016-01-01

    This introduction reviews why combustion and radiation are important, as well as the technical challenges posed by radiation. Emphasis is on interactions among turbulence, chemistry and radiation (turbulence-chemistry-radiation interactions – TCRI) in Reynolds-averaged and large-eddy simulations. Subsequent chapters cover: chemically reacting turbulent flows; radiation properties, Reynolds transport equation (RTE) solution methods, and TCRI; radiation effects in laminar flames; TCRI in turbulent flames; and high-pressure combustion systems. This Brief presents integrated approach that includes radiation at the outset, rather than as an afterthought. It stands as the most recent developments in physical modeling, numerical algorithms, and applications collected in one monograph.

  14. Hidden interactions - Trace species governing combustion and emissions

    DEFF Research Database (Denmark)

    Glarborg, Peter

    2007-01-01

    Concern about pollutant formation and emissions continues to be a driving force for research in combustion chemistry. Important pollutants include nitrogen oxides (NO,), sulfur oxides (SO,), chlorine species, unburned or partly burned fuel components (e.g., UHC, aldehydes, CO), aromatic and polyc......Concern about pollutant formation and emissions continues to be a driving force for research in combustion chemistry. Important pollutants include nitrogen oxides (NO,), sulfur oxides (SO,), chlorine species, unburned or partly burned fuel components (e.g., UHC, aldehydes, CO), aromatic...

  15. Turbulent Combustion Modeling Advances, New Trends and Perspectives

    CERN Document Server

    Echekki, Tarek

    2011-01-01

    Turbulent combustion sits at the interface of two important nonlinear, multiscale phenomena: chemistry and turbulence. Its study is extremely timely in view of the need to develop new combustion technologies in order to address challenges associated with climate change, energy source uncertainty, and air pollution. Despite the fact that modeling of turbulent combustion is a subject that has been researched for a number of years, its complexity implies that key issues are still eluding, and a theoretical description that is accurate enough to make turbulent combustion models rigorous and quantitative for industrial use is still lacking. In this book, prominent experts review most of the available approaches in modeling turbulent combustion, with particular focus on the exploding increase in computational resources that has allowed the simulation of increasingly detailed phenomena. The relevant algorithms are presented, the theoretical methods are explained, and various application examples are given. The book ...

  16. Combustion and flow modelling applied to the OMV VTE

    Science.gov (United States)

    Larosiliere, Louis M.; Jeng, San-Mou

    1990-01-01

    A predictive tool for hypergolic bipropellant spray combustion and flow evolution in the OMV VTE (orbital maneuvering vehicle variable thrust engine) is described. It encompasses a computational technique for the gas phase governing equations, a discrete particle method for liquid bipropellant sprays, and constitutive models for combustion chemistry, interphase exchanges, and unlike impinging liquid hypergolic stream interactions. Emphasis is placed on the phenomenological modelling of the hypergolic liquid bipropellant gasification processes. An application to the OMV VTE combustion chamber is given in order to show some of the capabilities and inadequacies of this tool.

  17. Chemistry Notes

    Science.gov (United States)

    School Science Review, 1976

    1976-01-01

    Described are eight chemistry experiments and demonstrations applicable to introductory chemistry courses. Activities include: measure of lattice enthalpy, Le Chatelier's principle, decarboxylation of soap, use of pocket calculators in pH measurement, and making nylon. (SL)

  18. Heterocyclic chemistry

    OpenAIRE

    Hemming, Karl

    2011-01-01

    Recent progress in the synthesis of heterocyclic compounds is presented\\ud 2010 offered highlights in pericyclic chemistry, particularly 1,3-dipolar cycloaddition chemistry, asymmetric synthesis, gold catalysis, organocatalysis, hydroamination, C–H activation and multicomponent reactions.

  19. Chemistry Dashboard

    Science.gov (United States)

    The Chemistry Dashboard is part of a suite of dashboards developed by EPA to help evaluate the safety of chemicals. The Chemistry Dashboard provides access to a variety of information on over 700,000 chemicals currently in use.

  20. Biophysical chemistry.

    Science.gov (United States)

    Häussinger, Daniel; Pfohl, Thomas

    2010-01-01

    Biophysical chemistry at the Department of Chemistry, University of Basel, covers the NMR analysis of protein-protein interaction using paramagnetic tags and sophisticated microscopy techniques investigating the dynamics of biological matter.

  1. Colour Chemistry

    Science.gov (United States)

    Griffiths, J.; Rattee, I. D.

    1973-01-01

    Discusses the course offerings in pure color chemistry at two universities and the three main aspects of study: dyestuff chemistry, color measurement, and color application. Indicates that there exists a constant challenge to ingenuity in the subject discipline. (CC)

  2. Combinatorial chemistry

    DEFF Research Database (Denmark)

    Nielsen, John

    1994-01-01

    An overview of combinatorial chemistry is presented. Combinatorial chemistry, sometimes referred to as `irrational drug design,' involves the generation of molecular diversity. The resulting chemical library is then screened for biologically active compounds.......An overview of combinatorial chemistry is presented. Combinatorial chemistry, sometimes referred to as `irrational drug design,' involves the generation of molecular diversity. The resulting chemical library is then screened for biologically active compounds....

  3. Combinatorial chemistry

    DEFF Research Database (Denmark)

    Nielsen, John

    1994-01-01

    An overview of combinatorial chemistry is presented. Combinatorial chemistry, sometimes referred to as `irrational drug design,' involves the generation of molecular diversity. The resulting chemical library is then screened for biologically active compounds.......An overview of combinatorial chemistry is presented. Combinatorial chemistry, sometimes referred to as `irrational drug design,' involves the generation of molecular diversity. The resulting chemical library is then screened for biologically active compounds....

  4. Positronium chemistry

    CERN Document Server

    Green, James

    1964-01-01

    Positronium Chemistry focuses on the methodologies, reactions, processes, and transformations involved in positronium chemistry. The publication first offers information on positrons and positronium and experimental methods, including mesonic atoms, angular correlation measurements, annihilation spectra, and statistical errors in delayed coincidence measurements. The text then ponders on positrons in gases and solids. The manuscript takes a look at the theoretical chemistry of positronium and positronium chemistry in gases. Topics include quenching, annihilation spectrum, delayed coincidence

  5. Boiler using combustible fluid

    Science.gov (United States)

    Baumgartner, H.; Meier, J.G.

    1974-07-03

    A fluid fuel boiler is described comprising a combustion chamber, a cover on the combustion chamber having an opening for introducing a combustion-supporting gaseous fluid through said openings, means to impart rotation to the gaseous fluid about an axis of the combustion chamber, a burner for introducing a fluid fuel into the chamber mixed with the gaseous fluid for combustion thereof, the cover having a generally frustro-conical configuration diverging from the opening toward the interior of the chamber at an angle of between 15/sup 0/ and 55/sup 0/; means defining said combustion chamber having means defining a plurality of axial hot gas flow paths from a downstream portion of the combustion chamber to flow hot gases into an upstream portion of the combustion chamber, and means for diverting some of the hot gas flow along paths in a direction circumferentially of the combustion chamber, with the latter paths being immersed in the water flow path thereby to improve heat transfer and terminating in a gas outlet, the combustion chamber comprising at least one modular element, joined axially to the frustro-conical cover and coaxial therewith. The modular element comprises an inner ring and means of defining the circumferential, radial, and spiral flow paths of the hot gases.

  6. Supercritical droplet combustion and related transport phenomena

    Science.gov (United States)

    Yang, Vigor; Hsieh, K. C.; Shuen, J. S.

    1993-01-01

    An overview of recent advances in theoretical analyses of supercritical droplet vaporization and combustion is conducted. Both hydrocarbon and cryogenic liquid droplets over a wide range of thermodynamic states are considered. Various important high-pressure effects on droplet behavior, such as thermodynamic non-ideality, transport anomaly, and property variation, are reviewed. Results indicate that the ambient gas pressure exerts significant control of droplet gasification and burning processes through its influence on fluid transport, gas-liquid interfacial thermodynamics, and chemical reactions. The droplet gasification rate increases progressively with pressure. However, the data for the overall burnout time exhibit a considerable change in the combustion mechanism at the criticl pressure, mainly as a result of reduced mass diffusivity and latent heat of vaporization with increased pressure. The influence of droplet size on the burning characteristics is also noted.

  7. Studies of combustion kinetics and mechanisms

    Energy Technology Data Exchange (ETDEWEB)

    Gutman, D. [Catholic Univ. of America, Washington, DC (United States)

    1993-12-01

    The objective of the current research is to gain new quantitative knowledge of the kinetics and mechanisms of polyatomic free radicals which are important in hydrocarbon combustion processes. The special facility designed and built for these (which includes a heatable tubular reactor coupled to a photoionization mass spectrometer) is continually being improved. Where possible, these experimental studies are coupled with theoretical ones, sometimes conducted in collaboration with others, to obtain an improved understanding of the factors determining reactivity. The decomposition of acetyl radicals, isopropyl radicals, and n-propyl radicals have been studied as well as the oxidation of methylpropargyl radicals.

  8. Research Of Polytropic Exponent Changing For Influence Evaluation Of Actual Mixture Composition On Hydrocarbons Concentration Decreasing On Deep Throttling Operation

    Science.gov (United States)

    Smolenskaya, N. M.; Smolenskii, V. V.; Bobrovskij, I.

    2017-01-01

    The purpose of this article is to present study of polytropic exponent as rating of thermodynamic process in internal combustion motor operating to deep throttling in a subcase of idle running. It is necessary to consider the influence of hydrocarbon part in exhaust gases in a process of development a new internal combustion engines especially on deep throttling operation: on combustion procedure, on irregularity of exhaust gases composition.

  9. Towards Control-Oriented Modeling of Natural Gas-Diesel RCCI Combustion

    NARCIS (Netherlands)

    Bekdemir, C.; Baert, R.; Willems, F.; Somers, B.

    2015-01-01

    For natural gas (NG)-diesel RCCI, a multi-zonal, detailed chemistry modeling approach is presented. This dual fuel combustion process requires further understanding of the ignition and combustion processes to maximize thermal efficiency and minimize (partially) unburned fuel emissions. The introduct

  10. Towards Control-Oriented Modeling of Natural Gas-Diesel RCCI Combustion

    NARCIS (Netherlands)

    Bekdemir, C.; Baert, R.; Willems, F.; Somers, B.

    2015-01-01

    For natural gas (NG)-diesel RCCI, a multi-zonal, detailed chemistry modeling approach is presented. This dual fuel combustion process requires further understanding of the ignition and combustion processes to maximize thermal efficiency and minimize (partially) unburned fuel emissions. The

  11. Coal combustion products

    Science.gov (United States)

    Kalyoncu, R.S.; Olson, D.W.

    2001-01-01

    Coal-burning powerplants, which supply more than half of U.S. electricity, also generate coal combustion products, which can be both a resource and a disposal problem. The U.S. Geological Survey collaborates with the American Coal Ash Association in preparing its annual report on coal combustion products. This Fact Sheet answers questions about present and potential uses of coal combustion products.

  12. Research Combustion Laboratory (RCL)

    Data.gov (United States)

    Federal Laboratory Consortium — The Research Combustion Laboratory (RCL) develops aerospace propulsion technology by performing tests on propulsion components and materials. Altitudes up to 137,000...

  13. Combustion Byproducts Recycling Consortium

    Energy Technology Data Exchange (ETDEWEB)

    Paul Ziemkiewicz; Tamara Vandivort; Debra Pflughoeft-Hassett; Y. Paul Chugh; James Hower

    2008-08-31

    Ashlines: To promote and support the commercially viable and environmentally sound recycling of coal combustion byproducts for productive uses through scientific research, development, and field testing.

  14. Research Combustion Laboratory (RCL)

    Data.gov (United States)

    Federal Laboratory Consortium — The Research Combustion Laboratory (RCL) develops aerospace propulsion technology by performing tests on propulsion components and materials. Altitudes up to 137,000...

  15. Combustion of poultry litter in a fluidised bed combustor

    Energy Technology Data Exchange (ETDEWEB)

    P. Abelha; I. Gulyurtlu; D. Boavida; J. Seabra Barros; I. Cabrita; J. Leahy; B. Kelleher; M. Leahy [DEECA-INETI, Lisbon (Portugal)

    2003-04-01

    Combustion studies of poultry litter alone or mixed with peat by 50% on weight basis were undertaken in an atmospheric bubbling fluidised bed. Because of high moisture content of poultry litter, there was some uncertainty whether the combustion could be sustained on 100% poultry litter and as peat is very available in Ireland, its presence was considered to help to improve the combustion. However, the results showed that, as long as the moisture content of poultry litter was kept below 25%, the combustion did not need the addition of peat. The main parameters that were investigated are (i) moisture content, (ii) air staging, and (iii) variations in excess air levels along the freeboard. The main conclusions of the results are (i) combustion was influenced very much by the conditions of the fuel supply, (ii) the steady fuel supply was strongly dependent on the moisture content of the poultry litter, (iii) temperature appeared to be still very influential in reducing the levels of unburned carbon and hydrocarbons released from residues, (iv) the air staging in the freeboard improved combustion efficiency by enhancing the combustion of volatiles released from residues in the riser and (vi) NOx emissions were influenced by air staging in the freeboard. Particles collected from the bed and the two cyclones were analysed to determine the levels of heavy metals and the leachability tests were carried out with ashes collected to verify whether or not they could safely be used in agricultural lands. 8 refs., 1 fig., 8 tabs.

  16. Pollutants generated by the combustion of solid biomass fuels

    CERN Document Server

    Jones, Jenny M; Ma, Lin; Williams, Alan; Pourkashanian, Mohamed

    2014-01-01

    This book considers the pollutants formed by the combustion of solid biomass fuels. The availability and potential use of solid biofuels is first discussed because this is the key to the development of biomass as a source of energy.This is followed by details of the methods used for characterisation of biomass and their classification.The various steps in the combustion mechanisms are given together with a compilation of the kinetic data. The chemical mechanisms for the formation of the pollutants: NOx, smoke and unburned hydrocarbons, SOx, Cl compounds, and particulate metal aerosols

  17. STRUCTURE-BASED PREDICTIVE MODEL FOR COAL CHAR COMBUSTION

    Energy Technology Data Exchange (ETDEWEB)

    CHRISTOPHER M. HADAD; JOSEPH M. CALO; ROBERT H. ESSENHIGH; ROBERT H. HURT

    1998-06-04

    During the past quarter of this project, significant progress continued was made on both major technical tasks. Progress was made at OSU on advancing the application of computational chemistry to oxidative attack on model polyaromatic hydrocarbons (PAHs) and graphitic structures. This work is directed at the application of quantitative ab initio molecular orbital theory to address the decomposition products and mechanisms of coal char reactivity. Previously, it was shown that the �hybrid� B3LYP method can be used to provide quantitative information concerning the stability of the corresponding radicals that arise by hydrogen atom abstraction from monocyclic aromatic rings. In the most recent quarter, these approaches have been extended to larger carbocyclic ring systems, such as coronene, in order to compare the properties of a large carbonaceous PAH to that of the smaller, monocyclic aromatic systems. It was concluded that, at least for bond dissociation energy considerations, the properties of the large PAHs can be modeled reasonably well by smaller systems. In addition to the preceding work, investigations were initiated on the interaction of selected radicals in the �radical pool� with the different types of aromatic structures. In particular, the different pathways for addition vs. abstraction to benzene and furan by H and OH radicals were examined. Thus far, the addition channel appears to be significantly favored over abstraction on both kinetic and thermochemical grounds. Experimental work at Brown University in support of the development of predictive structural models of coal char combustion was focused on elucidating the role of coal mineral matter impurities on reactivity. An �inverse� approach was used where a carbon material was doped with coal mineral matter. The carbon material was derived from a high carbon content fly ash (Fly Ash 23 from the Salem Basin Power Plant. The ash was obtained from Pittsburgh #8 coal (PSOC 1451). Doped

  18. Ethylene oxidation chemistry in a well-stirred reactor

    Energy Technology Data Exchange (ETDEWEB)

    Marinov, N. [Lawrence Livermore National Lab., CA (United States); Malte, P. [Univ. of Washington, Seattle, WA (United States). Dept. of Mechanical Engineering

    1994-09-01

    Ethylene is an important intermediate in the combustion of methane, larger aliphatic hydrocarbons, and aromatics. Detailed fuel-lean C{sub 2}H{sub 4}H{sub 2}O/air well-stirred reactor data by Thornton were used to analyze reported combustion chemistry mechanisms and the development of this study`s ethylene oxidation mechanism. The data set had been obtained for the temperature range 1,003 to 1,253 K and ethylene-oxygen equivalence ratio range 0.086 to 0.103, at atmospheric pressure. Mechanisms were derived from reaction sets of Westbrook and Pitz, and Dagaut, Cathonnet and Boettner. Examination of each reported mechanism indicated unusually large kinetic rates for the vinyl decomposition reaction were used in order to obtain agreement with the Thornton data set. An ethylene oxidation model was developed in order to address the mechanistic problems of the previous models. This study`s mechanism well simulated the overall rate of ethylene oxidation and concentration profiles of CO, CO{sub 2}, H{sub 2}, CH{sub 2}O, C{sub 2}H{sub 2}, CH{sub 3}OH, CH{sub 4}, and C{sub 2}H{sub 6}. Successful predictions by the model were dependent on a new high temperature vinyl oxidation reaction route, C{sub 2}H{sub 3} + O{sub 2} = CH{sub 2}CHO + O with a branching ratio of 1.19--1.21 at 1,053 K to 1.63--2.47 at 1,253 K. The branching ratio values were dependent upon the extent of fall-off for the C{sub 2}H{sub 3} + O{sub 2} = CH{sub 2}O + HCO reaction. 132 refs.

  19. Particle Emissions from Biomass Combustion

    Energy Technology Data Exchange (ETDEWEB)

    Szpila, Aneta; Bohgard, Mats [Lund Inst. of Technology (Sweden). Div. of Ergonomics and Aerosol Technology; Strand, Michael; Lillieblad, Lena; Sanati, Mehri [Vaexjoe Univ. (Sweden). Div. of Bioenergy Technology; Pagels, Joakim; Rissler, Jenny; Swietlicki, Erik; Gharibi, Arash [Lund Univ. (Sweden). Div. of Nuclear Physics

    2003-05-01

    We have shown that high concentrations of fine particles of the order of 2-7x10{sup -7} particles per cm{sup 3} are being formed in all the combustion units studied. There was a higher difference between the units in terms of particle mass concentrations. While the largest differences was found for gas-phase constituents (CO and THC) and polyaromatic hydrocarbons. In 5 out of 7 studied units, multi-cyclones were the only measure for flue-gas separation. The multicyclones had negligible effect on the particle number concentration and a small effect on the mass of particles smaller than 5 {mu}m. The separation efficiency was much higher for the electrostatic precipitators. The boiler load had a dramatic influence on the coarse mode concentration during combustion of forest residue. PM0.8-6 increased from below 5 mg/m{sup 3} to above 50 mg/m{sup 3} even at a moderate change in boiler load from medium to high. A similar but less pronounced trend was found during combustion of dry wood. PM0.8-PM6 increased from 12 to 23 mg/m{sup 3} when the load was changed from low to high. When increasing the load, the primary airflow taken through the grate is increased; this itself may lead to a higher potential of the air stream to carry coarse particles away from the combustion zone. Measurements with APS-instrument with higher time-resolution showed a corresponding increase in coarse mode number concentration with load. Additional factor influencing observed higher concentration of coarse mode during combustion of forest residues, could be relatively high ash content in this type of fuel (2.2 %) in comparison to dry wood (0.3 %) and pellets (0.5 %). With increasing load we also found a decrease in PM1 during combustion of forest residue. Whether this is caused by scavenging of volatilized material by the high coarse mode concentration or a result of a different amount of volatilized material available for formation of fine particles needs to be shown in future studies. The

  20. Polycyclic aromatic hydrocarbons - fate and long-range atmospheric transport studied using a global model, EMAC-SVOC

    Science.gov (United States)

    Octaviani, Mega; Tost, Holger; Lammel, Gerhard

    2017-04-01

    Polycyclic aromatic hydrocarbons (PAHs) are emitted by incomplete combustion from fossil fuel, vehicles, and biomass burning. They may persist in environmental compartments, pose a health hazard and may bio accumulate along food chains. The ECHAM/MESSy Atmospheric Chemistry (EMAC) model had been used to simulate global tropospheric, stratospheric chemistry and climate. In this study, we improve the model to include simulations of the transport and fate of semi-volatile organic compounds (SVOC). The EMAC-SVOC model takes into account essential environmental processes including gas-particle partitioning, dry and wet deposition, chemical and bio-degradation, and volatilization from sea surface, soils, vegetation, and snow. The model was evaluated against observational data in the Arctic, mid-latitudes, and tropics, and further applied to study total environmental lifetime and long-range transport potential (LRTP) of PAHs. We selected four compounds for study, spanning a wide range of volatility, i.e., phenanthrene, fluoranthene, pyrene, and benzo[a]pyrene. Several LRTP indicators were investigated, including the Arctic contamination potential, meridional spreading, and zonal and meridional fluxes to remote regions.

  1. Mechanisms of Combustion of Hydrocarbon/Alcohol Fuel Blends

    Science.gov (United States)

    1990-11-01

    Ingenieria , UNAM, Mexico, and Professor M. D. Smooke at the Department of Mechanical Engineering, Yale University, New Haven, Connecticut. The principal...large value of the activation energy for a reaction controlling the pyrolysis of CH2OH to CH20. The research summarized above has been published in

  2. Improving Dryer and Press Efficiencies Through Combustion of Hydrocarbon Emissions

    Energy Technology Data Exchange (ETDEWEB)

    Sujit Banerjee

    2005-10-31

    Emission control devices on dryers and presses have been legislated into the industry, and are now an integral part of the drying system. These devices consume large quantities of natural gas and electricity and down-sizing or eliminating them will provide major energy savings. The principal strategy taken here focuses on developing process changes that should minimize (and in some cases eliminate) the need for controls. A second approach is to develop lower-cost control options. It has been shown in laboratory and full-scale work that Hazardous Air Pollutants (HAPs) emerge mainly at the end of the press cycle for particleboard, and, by extension, to other prod-ucts. Hence, only the air associated with this point of the cycle need be captured and treated. A model for estimating terpene emissions in the various zones of veneer dryers has been developed. This should allow the emissions to be concentrated in some zones and minimized in others, so that some of the air could be directly released without controls. Low-cost catalysts have been developed for controlling HAPs from dryers and presses. Catalysts conventionally used for regenerative catalytic oxidizers can be used at much lower temperatures for treating press emissions. Fluidized wood ash is an especially inexpensive mate-rial for efficiently reducing formaldehyde in dryer emissions. A heat transfer model for estimating pinene emissions from hot-pressing strand for the manufacture of flakeboard has been constructed from first principles and validated. The model shows that most of the emissions originate from the 1-mm layer of wood adjoining the platen surface. Hence, a simple control option is to surface a softwood mat with a layer of hardwood prior to pressing. Fines release a disproportionate large quantity of HAPs, and it has been shown both theo-retically and in full-scale work that particles smaller than 400 µm are principally responsible. Georgia-Pacific is considering green-screening their furnish at several of their mills in order to remove these particles and reduce their treatment costs.

  3. Method and apparatus for monitoring a hydrocarbon-selective catalytic reduction device

    Science.gov (United States)

    Schmieg, Steven J; Viola, Michael B; Cheng, Shi-Wai S; Mulawa, Patricia A; Hilden, David L; Sloane, Thompson M; Lee, Jong H

    2014-05-06

    A method for monitoring a hydrocarbon-selective catalytic reactor device of an exhaust aftertreatment system of an internal combustion engine operating lean of stoichiometry includes injecting a reductant into an exhaust gas feedstream upstream of the hydrocarbon-selective catalytic reactor device at a predetermined mass flowrate of the reductant, and determining a space velocity associated with a predetermined forward portion of the hydrocarbon-selective catalytic reactor device. When the space velocity exceeds a predetermined threshold space velocity, a temperature differential across the predetermined forward portion of the hydrocarbon-selective catalytic reactor device is determined, and a threshold temperature as a function of the space velocity and the mass flowrate of the reductant is determined. If the temperature differential across the predetermined forward portion of the hydrocarbon-selective catalytic reactor device is below the threshold temperature, operation of the engine is controlled to regenerate the hydrocarbon-selective catalytic reactor device.

  4. Strobes: An oscillatory combustion

    NARCIS (Netherlands)

    Corbel, J.M.L.; Lingen, J.N.J. van; Zevenbergen, J.F.; Gijzeman, O.L.J.; Meijerink, A.

    2012-01-01

    Strobe compositions belong to the class of solid combustions. They are mixtures of powdered ingredients. When ignited, the combustion front evolves in an oscillatory fashion, and flashes of light are produced by intermittence. They have fascinated many scientists since their discovery at the beginni

  5. Strobes: An Oscillatory Combustion

    NARCIS (Netherlands)

    Corbel, J.M.L.; van Lingen, J.N.J.; Zevenbergen, J.F.; Gijzeman, O.L.J.; Meijerink, A.

    2012-01-01

    Strobe compositions belong to the class of solid combustions. They are mixtures of powdered ingredients. When ignited, the combustion front evolves in an oscillatory fashion, and flashes of light are produced by intermittence. They have fascinated many scientists since their discovery at the beginni

  6. Fifteenth combustion research conference

    Energy Technology Data Exchange (ETDEWEB)

    NONE

    1993-06-01

    The BES research efforts cover chemical reaction theory, experimental dynamics and spectroscopy, thermodynamics of combustion intermediates, chemical kinetics, reaction mechanisms, combustion diagnostics, and fluid dynamics and chemically reacting flows. 98 papers and abstracts are included. Separate abstracts were prepared for the papers.

  7. Coal Combustion Science

    Energy Technology Data Exchange (ETDEWEB)

    Hardesty, D.R. (ed.); Fletcher, T.H.; Hurt, R.H.; Baxter, L.L. (Sandia National Labs., Livermore, CA (United States))

    1991-08-01

    The objective of this activity is to support the Office of Fossil Energy in executing research on coal combustion science. This activity consists of basic research on coal combustion that supports both the Pittsburgh Energy Technology Center Direct Utilization Advanced Research and Technology Development Program, and the International Energy Agency Coal Combustion Science Project. Specific tasks for this activity include: (1) coal devolatilization - the objective of this risk is to characterize the physical and chemical processes that constitute the early devolatilization phase of coal combustion as a function of coal type, heating rate, particle size and temperature, and gas phase temperature and oxidizer concentration; (2) coal char combustion -the objective of this task is to characterize the physical and chemical processes involved during coal char combustion as a function of coal type, particle size and temperature, and gas phase temperature and oxygen concentration; (3) fate of mineral matter during coal combustion - the objective of this task is to establish a quantitative understanding of the mechanisms and rates of transformation, fragmentation, and deposition of mineral matter in coal combustion environments as a function of coal type, particle size and temperature, the initial forms and distribution of mineral species in the unreacted coal, and the local gas temperature and composition.

  8. Combustion of coffee husks

    Energy Technology Data Exchange (ETDEWEB)

    Saenger, M.; Hartge, E.-U.; Werther, J. [Technical Univ. Hamburg-Harburg, Chemical Engineering 1, Hamburg (Germany); Ogada, T.; Siagi, Z. [Moi Univ., Dept. of Production Engineering, Eldoret (Kenya)

    2001-05-01

    Combustion mechanisms of two types of coffee husks have been studied using single particle combustion techniques as well as combustion in a pilot-scale fluidized bed facility (FBC), 150 mm in diameter and 9 m high. Through measurements of weight-loss and particle temperatures, the processes of drying, devolatilization and combustion of coffee husks were studied. Axial temperature profiles in the FBC were also measured during stationary combustion conditions to analyse the location of volatile release and combustion as a function of fuel feeding mode. Finally the problems of ash sintering were analysed. The results showed that devolatilization of coffee husks (65-72% volatile matter, raw mass) starts at a low temperature range of 170-200degC and takes place rapidly. During fuel feeding using a non water-cooled system, pyrolysis of the husks took place in the feeder tube leading to blockage and non-uniform fuel flow. Measurements of axial temperature profiles showed that during under-bed feeding, the bed and freeboard temperatures were more or less the same, whereas for over-bed feeding, freeboard temperatures were much higher, indicating significant combustion of the volatiles in the freeboard. A major problem observed during the combustion of coffee husks was ash sintering and bed agglomeration. This is due to the low melting temperature of the ash, which is attributed to the high contents of K{sub 2}O (36-38%) of the coffee husks. (Author)

  9. Organic chemistry

    Energy Technology Data Exchange (ETDEWEB)

    NONE

    2003-08-15

    This book with sixteen chapter explains organic chemistry on linkage isomerism such as alkane, cycloalkane, alkene, aromatic compounds, stereo selective isomerization, aromatic compounds, stereo selective isomerization, organic compounds, stereo selective isomerization, organic halogen compound, alcohol, ether, aldehyde and ketone, carboxylic acid, dicarboxylic acid, fat and detergent, amino, carbohydrate, amino acid and protein, nucleotide and nucleic acid and spectroscopy, a polymer and medical chemistry. Each chapter has introduction structure and characteristic and using of organic chemistry.

  10. Computational chemistry

    OpenAIRE

    2000-01-01

    Computational chemistry has come of age. With significant strides in computer hardware and software over the last few decades, computational chemistry has achieved full partnership with theory and experiment as a tool for understanding and predicting the behavior of a broad range of chemical, physical, and biological phenomena. The Nobel Prize award to John Pople and Walter Kohn in 1998 highlighted the importance of these advances in computational chemistry. With massively parallel computers ...

  11. Combustion Enhancement with a Silent Discharge Plasma

    Science.gov (United States)

    Rosocha, Louis

    2003-10-01

    It is well known that the application of an external electric field to a flame can affect its propagation speed, stability, and combustion chemistry (Lawton & Weinberg 1969). External electrodes, arc discharges, and plasma jets have been employed to allow combustible gas mixtures to operate outside their flammability limits by gas heating, injection of free radicals, and field-promoted flame stabilization (Yagodnikov & Voronetskii 1994). Other investigators have carried out experiments with silent electrical discharges applied to propagating flames (Inomata et al 1983, Kim et al 2003). These have demonstrated that the flame propagation velocity is actually decreased (combustion retarded) when a silent discharge is applied directly to the flame region, but that the flame propagation velocity is increased (combustion promoted) when a silent discharge is applied to the unburned gas mixture upstream of a flame. Two other recent works have considered the possibility of combustion enhancement in aircraft gas turbine engine combustor mixers by using a plasma-generating fuel nozzle, that employs an electric-arc or microwave plasma generator, to produce dissociated fuel or ionized fuel (Johnson et al 2001); and pulsed corona-enhanced detonation of fuel-air mixtures in jet engines (Wang et al 2003). In contrast to these prior works, we have employed a silent discharge plasma (SDP) reactor to break up large fuel molecules into smaller molecules and create free radicals or other active species in a gas stream before the fuel is mixed with an oxidizer and combusted. In experiments reported here, a cylindrical SDP reactor was used to 'activate' propane before mixing it with air and igniting the combustible gas mixture. With the plasma, the physical appearance of the flame changes and substantial changes in mass spectrometer fragmentation peaks are observed (e.g., propane fragments decrease and water and carbon dioxide increase). This indicates that the combustion process is

  12. Oxygenated Derivatives of Hydrocarbons

    Science.gov (United States)

    For the book entitled “Insect Hydrocarbons: Biology, Biochemistry and Chemical Ecology”, this chapter presents a comprehensive review of the occurrence, structure and function of oxygenated derivatives of hydrocarbons. The book chapter focuses on the occurrence, structural identification and functi...

  13. Hydrocarbon Spectral Database

    Science.gov (United States)

    SRD 115 Hydrocarbon Spectral Database (Web, free access)   All of the rotational spectral lines observed and reported in the open literature for 91 hydrocarbon molecules have been tabulated. The isotopic molecular species, assigned quantum numbers, observed frequency, estimated measurement uncertainty and reference are given for each transition reported.

  14. Chemistry Technology

    Data.gov (United States)

    Federal Laboratory Consortium — Chemistry technology experts at NCATS engage in a variety of innovative translational research activities, including:Design of bioactive small molecules.Development...

  15. Fuels and Combustion

    KAUST Repository

    Johansson, Bengt

    2016-08-17

    This chapter discusses the combustion processes and the link to the fuel properties that are suitable for them. It describes the basic three concepts, including spark ignition (SI) and compression ignition (CI), and homogeneous charge compression ignition (HCCI). The fuel used in a CI engine is vastly different from that in an SI engine. In an SI engine, the fuel should sustain high pressure and temperature without autoignition. Apart from the dominating SI and CI engines, it is also possible to operate with a type of combustion: autoignition. With HCCI, the fuel and air are fully premixed before combustion as in the SI engine, but combustion is started by the increased pressure and temperature during the compression stroke. Apart from the three combustion processes, there are also a few combined or intermediate concepts, such as Spark-Assisted Compression Ignition (SACI). Those concepts are discussed in terms of the requirements of fuel properties.

  16. Plasma devices for hydrocarbon reformation

    KAUST Repository

    Cha, Min Suk

    2017-02-16

    Plasma devices for hydrocarbon reformation are provided. Methods of using the devices for hydrocarbon reformation are also provided. The devices can include a liquid container to receive a hydrocarbon source, and a plasma torch configured to be submerged in the liquid. The plasma plume from the plasma torch can cause reformation of the hydrocarbon. The device can use a variety of plasma torches that can be arranged in a variety of positions in the liquid container. The devices can be used for the reformation of gaseous hydrocarbons and/or liquid hydrocarbons. The reformation can produce methane, lower hydrocarbons, higher hydrocarbons, hydrogen gas, water, carbon dioxide, carbon monoxide, or a combination thereof.

  17. Plant hydrocarbon recovery process

    Energy Technology Data Exchange (ETDEWEB)

    Dzadzic, P.M.; Price, M.C.; Shih, C.J.; Weil, T.A.

    1982-01-26

    A process for production and recovery of hydrocarbons from hydrocarbon-containing whole plants in a form suitable for use as chemical feedstocks or as hydrocarbon energy sources which process comprises: (A) pulverizing by grinding or chopping hydrocarbon-containing whole plants selected from the group consisting of euphorbiaceae, apocynaceae, asclepiadaceae, compositae, cactaceae and pinaceae families to a suitable particle size, (B) drying and preheating said particles in a reducing atmosphere under positive pressure (C) passing said particles through a thermal conversion zone containing a reducing atmosphere and with a residence time of 1 second to about 30 minutes at a temperature within the range of from about 200* C. To about 1000* C., (D) separately recovering the condensable vapors as liquids and the noncondensable gases in a condition suitable for use as chemical feedstocks or as hydrocarbon fuels.

  18. Physicochemical characterisation of combustion particles from vehicle exhaust and residential wood smoke

    OpenAIRE

    Schwarze Per E; Cassee Flemming R; Yttri Karl E; Li Yanjun; Kocbach Anette; Namork Ellen

    2006-01-01

    Background Exposure to ambient particulate matter has been associated with a number of adverse health effects. Particle characteristics such as size, surface area and chemistry seem to influence the negative effects of particles. In this study, combustion particles from vehicle exhaust and wood smoke, currently used in biological experiments, were analysed with respect to microstructure and chemistry. Methods ...

  19. Environmental Remediation: Removal of polycyclic aromatic hydrocarbons Dissertation

    OpenAIRE

    Nkansah, Marian Asantewah

    2012-01-01

    Polycyclic aromatic hydrocarbons (PAHs) are ubiquitous persistent semi-volatile organic compounds. They are contaminants that are resistant to degradation and can remain in the environment for long periods due to their high degree of conjugation, and aromaticity. PAHs are present in industrial effluents as products of incomplete combustion processes of organic compounds. Petroleum, coal and shale oil contain extremely complex mixtures of these PAHs, and their transport and refi...

  20. An experimental and modeling study of n-octanol combustion

    KAUST Repository

    Cai, Liming

    2015-01-01

    This study presents the first investigation on the combustion chemistry of n-octanol, a long chain alcohol. Ignition delay times were determined experimentally in a high-pressure shock tube, and stable species concentration profiles were obtained in a jet stirred reactor for a range of initial conditions. A detailed kinetic model was developed to describe the oxidation of n-octanol at both low and high temperatures, and the model shows good agreement with the present dataset. The fuel\\'s combustion characteristics are compared to those of n-alkanes and to short chain alcohols to illustrate the effects of the hydroxyl moiety and the carbon chain length on important combustion properties. Finally, the results are discussed in detail. © 2014 The Combustion Institute.

  1. CFD Investigation into Diesel PCCI Combustion with Optimized Fuel Injection

    Directory of Open Access Journals (Sweden)

    Lipeng Lu

    2011-03-01

    Full Text Available A multi-pulse injection strategy for premixed charge compression ignition (PCCI combustion was investigated in a four-valve, direct-injection diesel engine by a computational fluid dynamics (CFD simulation using KIVA-3V code coupled with detailed chemistry. The effects of fuel splitting proportion, injection timing, spray angles, and injection velocity were examined. The mixing process and formation of soot and nitrogen oxide (NOx emissions were investigated as the focus of the research. The results show that the fuel splitting proportion and the injection timing impacted the combustion and emissions significantly due to the considerable changes of the mixing process and fuel distribution in the cylinder. While the spray, inclusion angle and injection velocity at the injector exit, can be adjusted to improve mixing, combustion and emissions, appropriate injection timing and fuel splitting proportion must be jointly considered for optimum combustion performance.

  2. Eddy break-up based models for industrial diffusion flames with complex gas phase chemistry

    Energy Technology Data Exchange (ETDEWEB)

    Brink, A.

    1998-07-01

    In this thesis, two types of models used in the CFD modeling of practical combustion devices with a turbulent flow are investigated. The models are applied to a number of test cases, but the goal of the investigations are not to demonstrate the ability of the models to simulate practical devices but to investigate them, as well as to propose improvements. The investigated models are all related to the Eddy Break-Up model, but they differ from each other in that one group utilizes the perfectly stirred reactor in the description, whereas the other group compares the reaction rate given by mixing with a kinetically determined reaction rate. The models in the first group are based on the Eddy Dissipation Concept. These models allow for the use of a comprehensive reaction mechanism. In the studies, it is found that the mixing time used in this model is too short to be consistent with the other assumptions the model is based on. The test cases used in the study of this model could be better described if a longer mixing time was used. It was, however, found that there is a connection between the description of the reaction kinetics and the mixing time giving the best results. Finally, a new version of this reactor based model was proposed, where suggestions reported in the literature on how to estimate the mixing time as well as the reacting fraction in a turbulence-chemistry interaction model for the modeling of non-steady spray combustion have been applied. The second group of models consists of various versions of the Eddy Dissipation Combustion Model. In this study, it is found that these models are as reliable as the Eddy Dissipation Concept for the modeling of the main combustion, although the reaction kinetics must be described with simplified mechanisms. It is further found that basing the calculations of the reaction rates on mean quantities is a reasonable approach in hydrocarbon flames. Last, a modification to the Eddy Dissipation Combustion Model is proposed

  3. Numerical Simulation of Combustion and Rotor-Stator Interaction in a Turbine Combustor

    Directory of Open Access Journals (Sweden)

    Dragos D. Isvoranu

    2003-01-01

    Full Text Available This article presents the development of a numerical algorithm for the computation of flow and combustion in a turbine combustor. The flow and combustion are modeled by the Reynolds-averaged Navier-Stokes equations coupled with the species-conservation equations. The chemistry model used herein is a two-step, global, finite-rate combustion model for methane and combustion gases. The governing equations are written in the strong conservation form and solved using a fully implicit, finite-difference approximation. The gas dynamics and chemistry equations are fully decoupled. A correction technique has been developed to enforce the conservation of mass fractions. The numerical algorithm developed herein has been used to investigate the flow and combustion in a one-stage turbine combustor.

  4. New insight into the hydrocarbon-pool chemistry of the methanol-to-olefins conversion over zeolite H-ZSM-5 from GC-MS, solid-state NMR spectroscopy, and DFT calculations.

    Science.gov (United States)

    Wang, Chao; Chu, Yueying; Zheng, Anmin; Xu, Jun; Wang, Qiang; Gao, Pan; Qi, Guodong; Gong, Yanjun; Deng, Feng

    2014-09-22

    Over zeolite H-ZSM-5, the aromatics-based hydrocarbon-pool mechanism of methanol-to-olefins (MTO) reaction was studied by GC-MS, solid-state NMR spectroscopy, and theoretical calculations. Isotopic-labeling experimental results demonstrated that polymethylbenzenes (MBs) are intimately correlated with the formation of olefin products in the initial stage. More importantly, three types of cyclopentenyl cations (1,3-dimethylcyclopentenyl, 1,2,3-trimethylcyclopentenyl, and 1,3,4-trimethylcyclopentenyl cations) and a pentamethylbenzenium ion were for the first time identified by solid-state NMR spectroscopy and DFT calculations under both co-feeding ([(13) C6 ]benzene and methanol) conditions and typical MTO working (feeding [(13) C]methanol alone) conditions. The comparable reactivity of the MBs (from xylene to tetramethylbenzene) and the carbocations (trimethylcyclopentenyl and pentamethylbenzium ions) in the MTO reaction was revealed by (13) C-labeling experiments, evidencing that they work together through a paring mechanism to produce propene. The paring route in a full aromatics-based catalytic cycle was also supported by theoretical DFT calculations.

  5. The molten salt reactors (MSR) pyro chemistry and fuel cycle for innovative nuclear systems; Congres sur les reacteurs a sels fondus (RSF) pyrochimie et cycles des combustibles nucleaires du futur

    Energy Technology Data Exchange (ETDEWEB)

    Brossard, Ph. [GEDEON, Groupement de Recherche CEA CNRS EDF FRAMATOME (France); Garzenne, C.; Mouney, H. [and others

    2002-07-01

    In the frame of the studies on next generation nuclear systems, and especially for the molten salt reactors and for the integrated fuel cycle (as IFR), the fuel cycle constraints must be taken into account in the preliminary studies of the system to improve the cycle and reactor optimisation. Among the purposes for next generation nuclear systems, sustainability and waste (radio-toxicity and mass) management are important goals. These goals imply reprocessing and recycling strategies. The objectives of this workshop are to present and to share the different strategies and scenarios, the needs based on these scenarios, the experimental facilities available today or in the future and their capabilities, the needs for demonstration. It aims at: identifying the needs for fuel cycle based on solid fuel or liquid fuel, and especially, the on-line reprocessing or clean up for the molten salt reactors; assessing the state-of-the-art on the pyro-chemistry applied to solid fuel and to present the research activities; assessing the state-of-the-art on liquid fuels (or others), and to present the research activities; expressing the R and D programs for pyro-chemistry, molten salt, and also to propose innovative processes; and proposing some joint activities in the frame of GEDEON and PRACTIS programs. This document brings together the transparencies of 18 contributions dealing with: scenario studies with AMSTER concept (Scenarios, MSR, breeders (Th) and burners); fuel cycle for innovative systems; current reprocessing of spent nuclear fuel (SNF) in molten salts (review of pyro-chemistry processes (non nuclear and nuclear)); high temperature NMR spectroscopies in molten salts; reductive extraction of An from molten fluorides (salt - liquid metal extraction); electrochemistry characterisation; characterisation with physical methods - extraction coefficient and kinetics; electrolytic extraction; dissolution-precipitation of plutonium in the eutectic LiCl-KCl (dissolution and

  6. Nestmate recognition in social insects and the role of hydrocarbons

    DEFF Research Database (Denmark)

    van Zweden, Jelle Stijn; D'Ettorre, Patrizia

    2010-01-01

    A unique and critical analysis of the wealth of research conducted on the biology, biochemistry and chemical ecology of the rapidly growing field of insect cuticular hydrocarbons. Authored by leading experts in their respective fields, the twenty chapters show the complexity that has been...... discovered in the nature and role of hydrocarbons in entomology. Covers, in great depth, aspects of chemistry (structures, qualitative and quantitative analysis), biochemistry (biosynthesis, molecular biology, genetics, evolution), physiology, taxonomy, and ecology. Clearly presents to the reader the array...... of data, ideas, insights and historical disagreements that have been accumulated during the past half century. An emphasis is placed on the role of insect hydrocarbons in chemical communication, especially among the social insects. Includes the first review on the chemical synthesis of insect hydrocarbons...

  7. Importance of the Hydrogen Isocyanide Isomer in Modeling Hydrogen Cyanide Oxidation in Combustion

    DEFF Research Database (Denmark)

    Glarborg, Peter; Marshall, Paul

    2017-01-01

    Hydrogen isocyanide (HNC) has been proposed as an important intermediate in oxidation of hydrogen cyanide (HCN) in combustion, but details of its chemistry are still in discussion. At higher temperatures, HCN and HNC equilibrate rapidly, and being more reactive than HCN, HNC offers a fast...... alternative route of oxidation for cyanides. However, in previous modeling, it has been required to omit the HNC subset partly or fully in the reaction mechanisms to obtain satisfactory predictions. In the present work, we re-examine the chemistry of HNC and its role in combustion nitrogen chemistry. The HNC...

  8. Raman Spectra of Methane, Ethylene, Ethane, Dimethyl ether, Formaldehyde and Propane for Combustion Applications

    KAUST Repository

    Magnotti, G.

    2015-05-09

    Spontaneous Raman scattering measurements of temperature and major species concentration in hydrocarbon-air flames require detailed knowledge of the Raman spectra of the hydrocarbons present when fuels more complex than methane are used. Although hydrocarbon spectra have been extensively studied at room temperature, there are no data available at higher temperatures. Quantum mechanical calculations, when available are not sufficiently accurate for combustion applications. This work presents experimental measurements of spontaneous Stokes-Raman scattering spectra of methane, ethylene, ethane, dimethyl ether, formaldehyde and propane in the temperature range 300-860 K. Raman spectra from heated hydrocarbons jets have been collected with a higher resolution than is generally employed for Raman measurements in combustion applications. A set of synthetic spectra have been generated for each hydrocarbon, providing the basis for extrapolation to higher temperatures. The spectra provided here will enable simultaneous measurements of multiple hydrocarbons in flames. This capability will greatly extend the range of applicability of Raman measurements in combustion applications. In addition, the experimental spectra provide a validation dataset for quantum mechanical models.

  9. Modelling of fuel spray and combustion in diesel engines

    Energy Technology Data Exchange (ETDEWEB)

    Huttunen, M.T.; Kaario, O.T. [VTT Energy, Espoo (Finland)

    1997-12-31

    Fuel spray and air motion characteristics and combustion in direct injection (DI) diesel engines was studied using computational models of the commercial CFD-code FIRE. Physical subprocesses modelled included Lagrangian spray droplet movement and behaviour (atomisation, evaporation and interaction of spray droplets) and combustion of evaporated liquid spray in the gas phase. Fuel vapour combustion rate was described by the model of Magnussen and Hjertager. The standard k,{epsilon}-model was used for turbulence. In order to be able to predict combustion accurately, the fuel spray penetration should be predicted with reasonable accuracy. In this study, the standard drag coefficient had to be reduced in order to match the computed penetration to the measured one. In addition, the constants in the submodel describing droplet breakup also needed to be adjusted for closer agreement with the measurements. The characteristic time scale of fuel consumption rate k/C{sub R} {epsilon} strongly influenced the heat release and in-cylinder pressure. With a value around 2.0 to 5.0 for C{sub R}, the computed in-cylinder pressure during the compression stroke agreed quite well with the measurements. On the other hand, the in-cylinder pressure was underpredicted during the expansion stroke. This is partly due to the fact that hydrocarbon fuel combustion was modelled as a one-step reaction reading to CO{sub 2} and H{sub 2}O and inadequate description of the mixing of reactants and combustion products. (author) 16 refs.

  10. Chemistry of Aviation Fuels

    Science.gov (United States)

    Knepper, Bryan; Hwang, Soon Muk; DeWitt, Kenneth J.

    2004-01-01

    Minimum ignition energies of various methanol/air mixtures were measured in a temperature controlled constant volume combustion vessel using a spark ignition method with a spark gap distance of 2 mm. The minimum ignition energies decrease rapidly as the mixture composition (equivalence ratio, Phi) changes from lean to stoichiometric, reach a minimum value, and then increase rather slowly with Phi. The minimum of the minimum ignition energy (MIE) and the corresponding mixture composition were determined to be 0.137 mJ and Phi = 1.16, a slightly rich mixture. The variation of minimum ignition energy with respect to the mixture composition is explained in terms of changes in reaction chemistry.

  11. Reforming Technologies to Improve the Performance of Combustion Systems

    Directory of Open Access Journals (Sweden)

    Hashim Hassan

    2014-09-01

    Full Text Available A large number of theoretical and experimental studies have shown that the performance of kerosene combustion increases significantly if combustion is being assisted by the addition of hydrogen to the fuel/air mixture during the combustion process. It reduces the amount of CO, CO2 and NOx emissions, while increasing the flame stability limits. It also helps in bruning fuel/air mixtures at much leaner equivalence ratios. The same principle could be applied to gain benefits in gas turbine combustors. Hydrogen for this purpose could be produced by the reforming of hydrocarbon fuels using a reformer module. This paper presents key hydrogen reforming technologies which, by implementation in gas turbine combustors, hold potential for improving both their performance and service life.

  12. Aliphatics hydrocarbon content in surface sediment from Jakarta Bay, Indonesia

    Science.gov (United States)

    YAzis, M.; Asia, L.; Piram, A.; Doumenq, P.; Syakti, A. D.

    2016-02-01

    Sedimentary aliphatic hydrocarbons content have been studied quantitatively and qualitatively using GC/MS method in eight coastal stations located in the Jakarta Bay, North of Jakarta, Indonesia. The total concentrations n-alkanes have ranged from 480 μg.kg-1to 1,935 μg.kg-1sediment dry weight. Several ratios (e.g. CPI24-32, NAR, TAR, Pr/Phy, n-C17/Pr, n- C18/Phyt,n-C29/n-C17, Ʃn-alkanes/n-C16LMW/HMW, Paq and TMD) were used to evaluate the possible sources of terrestrial-marine inputs of these hydrocarbons in the sediments. The various origins of aliphatic hydrocarbons were generally biogenic, including both terrigenous and marine, with an anthropogenic pyrolytic contribution (petrogenic and biogenic combustion). Two stations (G,H) were thehighest concentration and had potential risk to environment

  13. Advanced modeling of oxy-fuel combustion of natural gas

    Energy Technology Data Exchange (ETDEWEB)

    Chungen Yin

    2011-01-15

    The main goal of this small-scale project is to investigate oxy-combustion of natural gas (NG) through advanced modeling, in which radiation, chemistry and mixing will be reasonably resolved. 1) A state-of-the-art review was given regarding the latest R and D achievements and status of oxy-fuel technology. The modeling and simulation status and achievements in the field of oxy-fuel combustion were also summarized; 2) A computer code in standard c++, using the exponential wide band model (EWBM) to evaluate the emissivity and absorptivity of any gas mixture at any condition, was developed and validated in detail against data in literature. A new, complete, and accurate WSGGM, applicable to both air-fuel and oxy-fuel combustion modeling and applicable to both gray and non-gray calculation, was successfully derived, by using the validated EWBM code as the reference mode. The new WSGGM was implemented in CFD modeling of two different oxy-fuel furnaces, through which its great, unique advantages over the currently most widely used WSGGM were demonstrated. 3) Chemical equilibrium calculations were performed for oxy-NG flame and air-NG flame, in which dissociation effects were considered to different degrees. Remarkable differences in oxy-fuel and air-fuel combustion were revealed, and main intermediate species that play key roles in oxy-fuel flames were identified. Different combustion mechanisms are compared, e.g., the most widely used 2-step global mechanism, refined 4-step global mechanism, a global mechanism developed for oxy-fuel using detailed chemical kinetic modeling (CHEMKIN) as reference. 4) Over 15 CFD simulations were done for oxy-NG combustion, in which radiation, chemistry, mixing, turbulence-chemistry interactions, and so on were thoroughly investigated. Among all the simulations, RANS combined with 2-step and refined 4-step mechanism, RANS combined with CHEMKIN-based new global mechanism for oxy-fuel modeling, and LES combined with different combustion

  14. Improving combustion efficiency

    Energy Technology Data Exchange (ETDEWEB)

    Bulsari, A.; Wemberg, A.; Multas, A. [Nonlinear Solutions Oy (Finland)

    2009-06-15

    The paper describes how nonlinear models are used to improve the efficiency of coal combustion while keeping NOx and other emissions under desired limits in the Naantali 2 boiler of Fortum Power and Heat Oy. 16 refs., 6 figs.

  15. Fluidized coal combustion

    Science.gov (United States)

    Moynihan, P. I.; Young, D. L.

    1979-01-01

    Fluidized-bed coal combustion process, in which pulverized coal and limestone are burned in presence of forced air, may lead to efficient, reliable boilers with low sulfur dioxide and nitrogen dioxide emissions.

  16. Modelling diesel combustion

    CERN Document Server

    Lakshminarayanan, P A; Shi, Yu; Reitz, Rolf D

    2010-01-01

    The underlying principles of combustion phenomena are presented here, providing the basis for quantitative evaluation. These phenomena - ignition delay, fuel air mixing, rate of release, etc. - are then modelled for greater understanding and applicability.

  17. TENORM: Coal Combustion Residuals

    Science.gov (United States)

    Burning coal in boilers to create steam for power generation and industrial applications produces a number of combustion residuals. Naturally radioactive materials that were in the coal mostly end up in fly ash, bottom ash and boiler slag.

  18. Quantum chemistry

    CERN Document Server

    Lowe, John P

    1993-01-01

    Praised for its appealing writing style and clear pedagogy, Lowe's Quantum Chemistry is now available in its Second Edition as a text for senior undergraduate- and graduate-level chemistry students. The book assumes little mathematical or physical sophistication and emphasizes an understanding of the techniques and results of quantum chemistry, thus enabling students to comprehend much of the current chemical literature in which quantum chemical methods or concepts are used as tools. The book begins with a six-chapter introduction of standard one-dimensional systems, the hydrogen atom,

  19. Thraustochytrid protists degrade hydrocarbons

    Digital Repository Service at National Institute of Oceanography (India)

    Raikar, M.T.; Raghukumar, S.; Vani, V.; David, J.J.; Chandramohan, D.

    Although thraustochytrid protists are known to be of widespread occurrence in the sea, their hydrocarbon-degrading abilities have never been investigated. We isolated thraustochytrids from coastal waters and sediments of Goa coast by enriching MPN...

  20. Scramjet Combustion Processes

    Science.gov (United States)

    2010-09-01

    plan for these flights is as follows: Scramjet Combustion Processes RTO-EN-AVT-185 11 - 21 HyShot 5 – A Free-Flying Hypersonic Glider HyShot...5 will be a hypersonic glider designed to fly at Mach 8. It will separate from its rocket booster in space and perform controlled manoeuvres as it...RTO-EN-AVT-185 11 - 1 Scramjet Combustion Processes Michael Smart and Ray Stalker Centre for Hypersonics The University of Queensland

  1. HYDROCARBON FORMATION ON POLYMER-SUPPORTED COBALT

    Energy Technology Data Exchange (ETDEWEB)

    Benner, Linda S.; Perkins, Patrick; Vollhardt, K.Peter C.

    1980-10-01

    In this report we detail the synthesis catalytic chemistry of polystyrene supported {eta}{sup 5} ~cyclopentadienyl- dicarbonyl cobalt, CpCo(CO){sub 2}. This material is active in the hydrogenation of CO to saturated linear hydrocarbons and appears to retain its "homogeneous", mononuclear character during the course of its catalysis, During ·the course of our work 18% and 20% crosslinked analogs of polystyrene supported CpCo(CO){sub 2} were shown to exhibit limited catalytic activity and no CO activation.

  2. METC Combustion Research Facility

    Energy Technology Data Exchange (ETDEWEB)

    Halow, J.S.; Maloney, D.J.; Richards, G.A.

    1993-11-01

    The objective of the Morgantown Energy Technology Center (METC) high pressure combustion facility is to provide a mid-scale facility for combustion and cleanup research to support DOE`s advanced gas turbine, pressurized, fluidized-bed combustion, and hot gas cleanup programs. The facility is intended to fill a gap between lab scale facilities typical of universities and large scale combustion/turbine test facilities typical of turbine manufacturers. The facility is now available to industry and university partners through cooperative programs with METC. High pressure combustion research is also important to other DOE programs. Integrated gasification combined cycle (IGCC) systems and second-generation, pressurized, fluidized-bed combustion (PFBC) systems use gas turbines/electric generators as primary power generators. The turbine combustors play an important role in achieving high efficiency and low emissions in these novel systems. These systems use a coal-derived fuel gas as fuel for the turbine combustor. The METC facility is designed to support coal fuel gas-fired combustors as well as the natural gas fired combustor used in the advanced turbine program.

  3. Numerical and Experimental Study on the Combustion and Emission Characteristics of a Dimethyl Ether (DME) Fueled Compression Ignition Engine Études numériques et expérimentales sur les caractéristiques de combustion et d’émissions d’un éther diméthylique (EDM)- moteur à auto-allumage rempli de combustible

    National Research Council Canada - National Science Library

    Kim Hyung Jun; Park Sung Wook; Lee Chang Sik

    2012-01-01

    ...) with wide ranges of injection timings in compression ignition engines. In order to simulate DME combustion processes, a KIVA-3V code coupled with a chemistry solver was used to solve the detailed chemical kinetics model of DME oxidation...

  4. Conversion of hydrocarbon fuel in thermal protection reactors of hypersonic aircraft

    Science.gov (United States)

    Kuranov, A. L.; Mikhaylov, A. M.; Korabelnikov, A. V.

    2016-07-01

    Thermal protection of heat-stressed surfaces of a high-speed vehicle flying in dense layers of atmosphere is one of the topical issues. Not of a less importance is also the problem of hydrocarbon fuel combustion in a supersonic air flow. In the concept under development, it is supposed that in the most high-stressed parts of airframe and engine, catalytic thermochemical reactors will be installed, wherein highly endothermic processes of steam conversion of hydrocarbon fuel take place. Simultaneously with heat absorption, hydrogen generation will occur in the reactors. This paper presents the results of a study of conversion of hydrocarbon fuel in a slit reactor.

  5. One century of air deposition of hydrocarbons recorded in travertine in North Tibetan Plateau, China: Sources and evolution.

    Science.gov (United States)

    Yuan, Guo-Li; Wu, Ming-Zhe; Sun, Yong; Li, Jun; Li, Jing-Chao; Wang, Gen-Hou

    2016-08-01

    The characteristic distribution patterns of hydrocarbons have been used for fingerprinting to identify their sources. The historical air depositions of hydrocarbons recorded in natural media help to understand the evolution of the air environment. Travertine is a natural acceptor of air deposition that settles on the ground layer by layer. To reconstruct the historical air environment of hydrocarbons in the North Tibetan Plateau (NTP), a unique background region, twenty-seven travertine samples were collected systematically from a travertine column according to its precipitated year. For each sample, the precipitated year was dated while n-alkanes and polycyclic aromatic hydrocarbons (PAHs) were determined. Based on source identification, the air environment of hydrocarbons in the past century was studied for the region of NTP. Before World War II, the anthropogenic sources of hydrocarbons showed little influence on the air environment. During World War II and China's War of Liberation, hydrocarbons increased significantly, mainly from the use of fossil fuels. Between 1954 and 1963, hydrocarbons in the air decreased significantly because the sources of petroleum combustion decreased. From the mid-1960s through the end of the 1990s, air hydrocarbons, which mainly originated from biomass burning, increased gradually because agriculture and animal husbandry were developing steadily in Tibet and China. From the late 1990s, hydrocarbons in the atmosphere increased rapidly due to the rapid increase of tourism activities, which might increase hydrocarbon emissions from traffic. The reconstruction of the historical air hydrocarbons in NTP clearly reflects the evolution of the region and global development.

  6. Effect of CO Combustion Promoters on Combustion Air Partition in FCC under Nearly Complete Combustion

    Institute of Scientific and Technical Information of China (English)

    王锐; 罗雄麟; 许锋

    2014-01-01

    With CO combustion promoters, the role of combustion air flow rate for concerns of economics and control is important. The combustion air is conceptually divided to three parts:the air consumed by coke burning, the air consumed by CO combustion and the air unreacted. A mathematical model of a fluid catalytic cracking (FCC) unit, which includes a quantitative correlation of CO heterogeneous combustion and the amount of CO combustion promoters, is introduced to investigate the effects of promoters on the three parts of combustion air. The results show that the air consumed by coke burning is almost linear to combustion air flow rate, while the air consumed by CO combustion promoters tends to saturate as combustion air flow rate increases, indicating that higher air flow rate can only be used as a manipulated variable to control the oxygen content for an economic concern.

  7. Electronic spectroscopy of transient species in solid neon: the indene-motif polycyclic hydrocarbon cation family C9Hy(+) (y = 7-9) and their neutrals.

    Science.gov (United States)

    Nagy, Adam; Garkusha, Iryna; Fulara, Jan; Maier, John P

    2013-11-28

    In this Perspective the development and application of a mass-selective matrix isolation approach, employed with success over the last two decades in the spectroscopic characterization of numerous ions and neutral reactive species, is illustrated with original data for hydrocarbon cations and neutrals with a six- and a five-membered carbon ring fused. The setup allows for the electronic and vibrational assessment of these isolated molecules and ions in the inert neon environment. The transient species of interest are chosen due to their astrophysical relevance, and the role they play in flames, plasmas, combustion, organic reactions and atmospheric chemistry. Electronic absorption and fluorescence spectra of indene-related polycyclic aromatic hydrocarbon derivatives, C9Hy(+) (y = 7-9) cations, are presented. The ions were produced in a discharge source and investigated by means of absorption and emission spectroscopies after selectively trapping them in 6 K neon matrices. Photoconversion between the two C9H8(+) indenylium isomers and, upon irradiation, H2 loss from C9H9(+) were observed. Corresponding neutral species C9Hy are identified by photobleaching the matrices containing the cations.

  8. Introductory Chemistry

    OpenAIRE

    Baron, Mark; Gonzalez-Rodriguez, Jose; Stevens, Gary; Gray, Nathan; Atherton, Thomas; Winn, Joss

    2010-01-01

    Teaching and Learning resources for the 1st Year Introductory Chemistry course (Forensic Science). 30 credits. These are Open Educational Resources (OER), made available for re-use under a Creative Commons license.

  9. Materials Chemistry

    CERN Document Server

    Fahlman, Bradley D

    2011-01-01

    The 2nd edition of Materials Chemistry builds on the strengths that were recognized by a 2008 Textbook Excellence Award from the Text and Academic Authors Association (TAA). Materials Chemistry addresses inorganic-, organic-, and nano-based materials from a structure vs. property treatment, providing a suitable breadth and depth coverage of the rapidly evolving materials field. The 2nd edition continues to offer innovative coverage and practical perspective throughout. After briefly defining materials chemistry and its history, seven chapters discuss solid-state chemistry, metals, semiconducting materials, organic "soft" materials, nanomaterials, and materials characterization. All chapters have been thoroughly updated and expanded with, for example, new sections on ‘soft lithographic’ patterning, ‘click chemistry’ polymerization, nanotoxicity, graphene, as well as many biomaterials applications. The polymer and ‘soft’ materials chapter represents the largest expansion for the 2nd edition. Each ch...

  10. Nuclear Chemistry.

    Science.gov (United States)

    Chemical and Engineering News, 1979

    1979-01-01

    Provides a brief review of the latest developments in nuclear chemistry. Nuclear research today is directed toward increased activity in radiopharmaceuticals and formation of new isotopes by high-energy, heavy-ion collisions. (Author/BB)

  11. Large eddy simulation modelling of combustion for propulsion applications.

    Science.gov (United States)

    Fureby, C

    2009-07-28

    Predictive modelling of turbulent combustion is important for the development of air-breathing engines, internal combustion engines, furnaces and for power generation. Significant advances in modelling non-reactive turbulent flows are now possible with the development of large eddy simulation (LES), in which the large energetic scales of the flow are resolved on the grid while modelling the effects of the small scales. Here, we discuss the use of combustion LES in predictive modelling of propulsion applications such as gas turbine, ramjet and scramjet engines. The LES models used are described in some detail and are validated against laboratory data-of which results from two cases are presented. These validated LES models are then applied to an annular multi-burner gas turbine combustor and a simplified scramjet combustor, for which some additional experimental data are available. For these cases, good agreement with the available reference data is obtained, and the LES predictions are used to elucidate the flow physics in such devices to further enhance our knowledge of these propulsion systems. Particular attention is focused on the influence of the combustion chemistry, turbulence-chemistry interaction, self-ignition, flame holding burner-to-burner interactions and combustion oscillations.

  12. Cluster Chemistry

    Institute of Scientific and Technical Information of China (English)

    2011-01-01

    @@ Cansisting of eight scientists from the State Key Laboratory of Physical Chemistry of Solid Surfaces and Xiamen University, this creative research group is devoted to the research of cluster chemistry and creation of nanomaterials.After three-year hard work, the group scored a series of encouraging progresses in synthesis of clusters with special structures, including novel fullerenes, fullerene-like metal cluster compounds as well as other related nanomaterials, and their properties study.

  13. Green Chemistry

    Energy Technology Data Exchange (ETDEWEB)

    Collison, Melanie

    2011-05-15

    Green chemistry is the science of chemistry used in a way that will not use or create hazardous substances. Dr. Rui Resendes is working in this field at GreenCentre Canada, an offshoot of PARTEQ Innovations in Kingston, Ontario. GreenCentre's preliminary findings suggest their licensed product {sup S}witchable Solutions{sup ,} featuring 3 classes of solvents and a surfactant, may be useful in bitumen oil sands extraction.

  14. Sensitivity of natural gas HCCI combustion to fuel and operating parameters using detailed kinetic modeling

    Energy Technology Data Exchange (ETDEWEB)

    Aceves, S; Dibble, R; Flowers, D; Smith, J R; Westbrook, C K

    1999-07-19

    This paper uses the HCT (Hydrodynamics, Chemistry and Transport) chemical kinetics code to analyze natural gas HCCI combustion in an engine. The HCT code has been modified to better represent the conditions existing inside an engine, including a wall heat transfer correlation. Combustion control and low power output per displacement remain as two of the biggest challenges to obtaining satisfactory performance out of an HCCI engine, and these are addressed in this paper. The paper considers the effect of natural gas composition on HCCI combustion, and then explores three control strategies for HCCI engines: DME (dimethyl ether) addition, intake heating and hot EGR addition. The results show that HCCI combustion is sensitive to natural gas composition, and an active control may be required to compensate for possible changes in composition. The three control strategies being considered have a significant effect in changing the combustion parameters for the engine, and should be able to control HCCI combustion.

  15. Supercritical Combustion of Liquid Oxygen and Hydrocarbon for Staged-Combustion Cycle Engine Technology Development

    Science.gov (United States)

    2009-06-30

    Flows," J. Comput. Phys. 101, 104(1992). P.K. Kundu and I.M. Cohen, Fluid Mechanics , 2nd ed. (San Diego, California, 2001). S. Wang and V. Yang...various underlying mechanisms dictating the fluid atomization and energy-transfer behaviors; and 3) to identify and prioritize key injector design...present numerical analysis is able to capture many unique mechanisms dictating supercritical fluid injection and mixing dynamics, including thermodynamic

  16. An Experimental Study on High Temperature and Low Oxygen Air Combustion

    Institute of Scientific and Technical Information of China (English)

    W.B.Kim; D.H.Chung; 等

    2000-01-01

    High temperature preheated and diluted air combustion has been confirmed as the technolgy,mainly applied to industrial furnaces and kilns,to realize higher thermal efficiency and lower emissions.The purpose of this study was to investigate fundamental aspects of the above-mentioned combustion experimentally and to compare with those in ordinary hydrocarbon combustion with room temperature air.The test items were exhaust gas components of CO,NOx,flame shape and raidcal components of CH,OH and C2,which were measured with gas analyser,camera and ICCD(Intersified Charged-Coupled Device) camera.Many phenomena as results appeared in combustion with the oxidizer,low oxygen concentation and extremely high temperature air,such as expansion of the flammable limits,increased flame propagation speed,it looked so strange as compared with those in existing combustion technology,we confirmed that such extraordinary phenomena were believable through the hot-test experiment.

  17. Simplified Modeling of Oxidation of Hydrocarbons

    Science.gov (United States)

    Bellan, Josette; Harstad, Kenneth

    2008-01-01

    A method of simplified computational modeling of oxidation of hydrocarbons is undergoing development. This is one of several developments needed to enable accurate computational simulation of turbulent, chemically reacting flows. At present, accurate computational simulation of such flows is difficult or impossible in most cases because (1) the numbers of grid points needed for adequate spatial resolution of turbulent flows in realistically complex geometries are beyond the capabilities of typical supercomputers now in use and (2) the combustion of typical hydrocarbons proceeds through decomposition into hundreds of molecular species interacting through thousands of reactions. Hence, the combination of detailed reaction- rate models with the fundamental flow equations yields flow models that are computationally prohibitive. Hence, further, a reduction of at least an order of magnitude in the dimension of reaction kinetics is one of the prerequisites for feasibility of computational simulation of turbulent, chemically reacting flows. In the present method of simplified modeling, all molecular species involved in the oxidation of hydrocarbons are classified as either light or heavy; heavy molecules are those having 3 or more carbon atoms. The light molecules are not subject to meaningful decomposition, and the heavy molecules are considered to decompose into only 13 specified constituent radicals, a few of which are listed in the table. One constructs a reduced-order model, suitable for use in estimating the release of heat and the evolution of temperature in combustion, from a base comprising the 13 constituent radicals plus a total of 26 other species that include the light molecules and related light free radicals. Then rather than following all possible species through their reaction coordinates, one follows only the reduced set of reaction coordinates of the base. The behavior of the base was examined in test computational simulations of the combustion of

  18. Investigations of Rocket Engine Combustion Emissions During ACCENT

    Science.gov (United States)

    Ross, M. N.; Friedl, R. R.

    2001-12-01

    The composition of rocket combustion emissions and the atmospheric processes that determine their stratospheric impacts are poorly understood. While present day rocket emissions do not significantly affect stratospheric chemistry, the potential for vigorous growth of the space transportation industry in coming decades suggests that rocket emissions and their stratospheric impacts should be better understood. A variety of in-situ measurements and modeling results were obtained during the Atmospheric Chemistry of Combustion Emissions Near the Tropopause (ACCENT) effort that will be used to evaluate the role of rocket exhaust in perturbing ozone chemistry in plume wakes and in the global stratosphere. We present a review of the ACCENT rocket emissions science objectives, summarize data obtained during the WB-57F plume wake sorties, and briefly discuss how the data will help resolve several outstanding questions regarding the impact of rocket emissions on the stratosphere. These include measurement of the emission indices for several important rocket engine combustion products and validation of plume wake chemistry models.

  19. Internal combustion engine

    Energy Technology Data Exchange (ETDEWEB)

    Williams, G.J.

    1986-06-03

    A variable power internal combustion engine is described which consists of: a separate air compressor for receiving and compressing a flow of air to a given pressure, the compressor having an inlet valve introducing a flow of air into the compressor and an outlet valve for exhausting compressed air out of the compressor into a compressed air storage means, at least one expander having a cylinder, a cylinder head closing an end of the cylinder, a piston reciprocally mounted in the cylinder for movement away from the cylinder head in a power stroke from an initial position defining a combustion chamber within the cylinder between the cylinder head and the piston, the compressed air storage means receiving the pressurized flow of air from the compressor and being of a volume adequate to provide compressed air in the combustion chamber essentially at the given pressure essentially over the power output of the engine, means for introducing an amount of combustible fuel in the compressed charge to be present with compressed air in the combustion chamber and providing combustion of the amount of fuel in the cylinder with the inlet and exhaust valves closed, cam shaft means in contact with the piston for absorbing and storing the energy of the power stroke of the piston and controlling movement of the piston within the cylinder during the exhaust stroke; the means for varying the volume of the combustion chamber being controlled in accordance with power requirements to provide variable power output and improved efficiency of the engine at power outputs reduced relative to a given design power output of the engine by providing a variable expansion ratio of a minimum of at least about 30 to 1 at the given design power output and higher with reduced power output.

  20. Ammonium Perchlorate and Ammonium Perchlorate- Hydroxyl Terminated Polybutadiene Simulated Combustion

    Directory of Open Access Journals (Sweden)

    Rene Francisco Boschi Gonçalves

    2012-03-01

    Full Text Available The combustion simulation of ammonium perchlorate was carried out with the software Chemkin, in two steps: the burning behavior of pure ammonium perchlorate and the one of formulated ammonium perchlorate with hydroxyl terminated polybutadiene binder. In both cases, the room pressure varied in order to verify its influence in the system. The burning environment conditions were diverse. During the combustion process, the data obtained from the kinetic chemistry simulation software were compiled. The flame structure can be described by the molar fraction of the burning products and the temperature evolution from the surface of the material.

  1. The combustion properties analysis of various liquid fuels based on crude oil and renewables

    Science.gov (United States)

    Grab-Rogalinski, K.; Szwaja, S.

    2016-09-01

    The paper presents results of investigation on combustion properties analysis of hydrocarbon based liquid fuels commonly used in the CI engine. The analysis was performed with aid of the CRU (Combustion Research Unit). CRU is the machine consisted of a constant volume combustion chamber equipped with one or two fuel injectors and a pressure sensor. Fuel can be injected under various both injection pressure and injection duration, also with two injector versions two stage combustion with pilot injection can be simulated, that makes it possible to introduce and modify additional parameter which is injection delay (defined as the time between pilot and main injection). On a basis of this investigation such combustion parameters as pressure increase, rate of heat release, ignition delay and combustion duration can be determined. The research was performed for the four fuels as follows: LFO, HFO, Biofuel from rape seeds and Glycerol under various injection parameters as well as combustion chamber thermodynamic conditions. Under these tests the change in such injection parameters as injection pressure, use of pilot injection, injection delay and injection duration, for main injection, were made. Moreover, fuels were tested under different conditions of load, what was determined by initial conditions (pressure and temperature) in the combustion chamber. Stored data from research allows to compare combustion parameters for fuels applied to tests and show this comparison in diagrams.

  2. Correlation between air flow rate and pollutant concentrations during two-stage oak log combustion in a 25 KW residential boiler

    Directory of Open Access Journals (Sweden)

    Juszczak Marek

    2016-09-01

    Full Text Available It can be expected that there is a considerable correlation between combustion air flow rate and the concentrations of carbon monoxide, hydrocarbons and nitrogen oxide in the flue gas. The influence of temperature and oxygen concentration in the combustion zone on the concentrations of carbon monoxide, hydrocarbons and nitrogen oxide in the flue gas, for high and low combustion air flow, was analysed. Oxygen concentration for which the concentration of carbon monoxide is the lowest was determined, as well as the mutual relation between carbon monoxide and nitrogen oxide concentration.

  3. Polycyclic aromatic hydrocarbons and dust in regions of massive star formation

    NARCIS (Netherlands)

    Peeters, Els

    2002-01-01

    Polycyclic Aromatic Hydrocarbons (PAHs) are known on earth as a large family of tarry materials naturally present in for example coal and crude oil. In addition, they are also formed in the combustion of all sorts of carbonaceous fuels and hence are found in auto exhaust, cigarette smoke, candle soo

  4. Polycyclic aromatic hydrocarbons and dust in regions of massive star formation

    NARCIS (Netherlands)

    Peeters, Els

    2002-01-01

    Polycyclic Aromatic Hydrocarbons (PAHs) are known on earth as a large family of tarry materials naturally present in for example coal and crude oil. In addition, they are also formed in the combustion of all sorts of carbonaceous fuels and hence are found in auto exhaust, cigarette smoke, candle

  5. Simplified Model for Reburning Chemistry

    DEFF Research Database (Denmark)

    Glarborg, Peter; Hansen, Stine

    2010-01-01

    In solid fuel flames, reburn-type reactions are often important for the concentrations of NOx in the near-burner region. To be able to model the nitrogen chemistry in these flames, it is necessary to have an adequate model for volatile/NO interactions. Simple models consisting of global steps...... or based on partial-equilibrium assumptions have limited predictive capabilities. Reburning models based on systematic reduction of a detailed chemical kinetic model offer a high accuracy but rely on input estimates of combustion intermediates, including free radicals. In the present work, an analytically...

  6. Combustible structural composites and methods of forming combustible structural composites

    Science.gov (United States)

    Daniels, Michael A.; Heaps, Ronald J.; Steffler, Eric D; Swank, William D.

    2011-08-30

    Combustible structural composites and methods of forming same are disclosed. In an embodiment, a combustible structural composite includes combustible material comprising a fuel metal and a metal oxide. The fuel metal is present in the combustible material at a weight ratio from 1:9 to 1:1 of the fuel metal to the metal oxide. The fuel metal and the metal oxide are capable of exothermically reacting upon application of energy at or above a threshold value to support self-sustaining combustion of the combustible material within the combustible structural composite. Structural-reinforcing fibers are present in the composite at a weight ratio from 1:20 to 10:1 of the structural-reinforcing fibers to the combustible material. Other embodiments and aspects are disclosed.

  7. Combustion and regulation; Combustion et reglementation

    Energy Technology Data Exchange (ETDEWEB)

    NONE

    1997-12-31

    This conference was organized after the publication of the French by-law no 2010 relative to combustion installations and to the abatement of atmospheric pollution. Five topics were discussed during the conference: the new regulations, their content, innovations and modalities of application; the means of energy suppliers to face the new provisions and their schedule; the manufacturers proposals for existing installations and the new equipments; the administration control; and the impact of the new measures on exploitation and engineering. Twenty papers and 2 journal articles are reported in these proceedings. (J.S.)

  8. Computer simulation of combustion of mine fires

    Institute of Scientific and Technical Information of China (English)

    余明高; 张和平; 范维澄; 王清安

    2002-01-01

    According to control theories, mine fires can be considered as an unsteady process after the normal ventilation system is disturbed. Applied the principal of physical chemistry and thermal fluid mechanics, the parameters models of the unsteady state system have been given, such as fuel combustion rate, heat of combustion, concentration, temperature, heat losses, heat resistance, work of expansion and heat pressure difference. The results of the calculation agree approximately with the results of the test. By the computer simulation, it is shown that the main factor of producing the throttling effect is the fire rate, second is the heat resistance and the heat pressure difference. The rate of heat flow that passes through the airway wall is the maximum on the surface, and decrease with time. The heat transfer progresses only within the range of 0.5 m away from theairway wall during combustion for 2 hours. Its variable for the mass flux rate and the percentage concentration of the gas along the airway of the downstream. When the delayed time is very small, the variation can be neglected. Viscosity resistance is the main part of the heat resistance, second is the expansion resistance that is less than tens Pascal when Mach number is very small. Work of expansion is principally turned into heat losses, only a very small part is consumed by the work of the heat resistance and the inertia acceleration.

  9. Mutagenicity assessment of aerosols in emissions from domestic combustion processes.

    Science.gov (United States)

    Canha, Nuno; Lopes, Isabel; Vicente, Estela Domingos; Vicente, Ana M; Bandowe, Benjamin A Musa; Almeida, Susana Marta; Alves, Célia A

    2016-06-01

    Domestic biofuel combustion is one of the major sources of regional and local air pollution, mainly regarding particulate matter and organic compounds, during winter periods. Mutagenic and carcinogenic activity potentials of the ambient particulate matter have been associated with the fraction of polycyclic aromatic hydrocarbons (PAH) and their oxygenated (OPAH) and nitrogenated (NPAH) derivatives. This study aimed at assessing the mutagenicity potential of the fraction of this polycyclic aromatic compound in particles (PM10) from domestic combustion by using the Ames assays with Salmonella typhimurium TA98 and TA100. Seven biofuels, including four types of pellets and three agro-fuels (olive pit, almond shell and shell of pine nuts), were tested in an automatic pellet stove, and two types of wood (Pinus pinaster, maritime pine, and Eucalyptus globulus, eucalypt) were burned in a traditional wood stove. For this latter appliance, two combustion phases-devolatilisation and flaming/smouldering-were characterised separately. A direct-acting mutagenic effect for the devolatilisation phase of pine combustion and for both phases of eucalypt combustion was found. Almond shell revealed a weak direct-acting mutagenic effect, while one type of pellets, made of recycled wastes, and pine (devolatilisation) presented a cytotoxic effect towards strain TA100. Compared to the manually fired appliance, the automatic pellet stove promoted lower polyaromatic mutagenic emissions. For this device, only two of the studied biofuels presented a weak mutagenic or cytotoxic potential.

  10. Method and facility for the recovery of hydrocarbons from a gas-air compound. Verfahren und Vorrichtung zur Rueckgewinnung von Kohlenwasserstoffen aus einem Gas-Luft-Gemisch

    Energy Technology Data Exchange (ETDEWEB)

    Hagenkoetter, M.; Hoelter, H.; Sdrojewski, R.

    1991-08-01

    A method or rather facility for the recovery of hydrocarbons from a gas-air compound works as follows: At first the gas-air compound is cooled down and brought to condensation. The hydrocarbons remaining in the gas-air compound after condensation are combusted in an internal combustion engine. The energy generated by the internal combustion engine is utilized for the operation of the cooling system planned for cooling and condensation. The cooling systen is developed and operated in a way that the gas-air compound is purified as far as possible from hydrocarbons and impurities when penetrating the cooling system. Behind the cooling system in front of the internal combustion engine fuel is apportioned to the gas-air compound.

  11. Handbook of heterocyclic chemistry

    National Research Council Canada - National Science Library

    Katritzky, Alan R

    2010-01-01

    ... Heterocyclic Chemistry I (1984) Comprehensive Heterocyclic Chemistry II (1996) Comprehensive Heterocyclic Chemistry III (2008) Comprehensive Organic Functional Group Transformations I (1995) Compreh...

  12. High atmosphere–ocean exchange of semivolatile aromatic hydrocarbons

    KAUST Repository

    González-Gaya, Belén

    2016-05-16

    Polycyclic aromatic hydrocarbons, and other semivolatile aromatic-like compounds, are an important and ubiquitous fraction of organic matter in the environment. The occurrence of semivolatile aromatic hydrocarbons is due to anthropogenic sources such as incomplete combustion of fossil fuels or oil spills, and other biogenic sources. However, their global transport, fate and relevance for the carbon cycle have been poorly assessed, especially in terms of fluxes. Here we report a global assessment of the occurrence and atmosphere-ocean fluxes of 64 polycyclic aromatic hydrocarbons analysed in paired atmospheric and seawater samples from the tropical and subtropical Atlantic, Pacific and Indian oceans. The global atmospheric input of polycyclic aromatic hydrocarbons to the global ocean is estimated at 0.09 Tg per month, four times greater than the input from the Deepwater Horizon spill. Moreover, the environmental concentrations of total semivolatile aromatic-like compounds were 10 2 -10 3 times higher than those of the targeted polycyclic aromatic hydrocarbons, with a relevant contribution of an aromatic unresolved complex mixture. These concentrations drive a large global deposition of carbon, estimated at 400 Tg C yr -1, around 15% of the oceanic CO2 uptake. © 2016 Macmillan Publishers Limited.

  13. High atmosphere-ocean exchange of semivolatile aromatic hydrocarbons

    Science.gov (United States)

    González-Gaya, Belén; Fernández-Pinos, María-Carmen; Morales, Laura; Méjanelle, Laurence; Abad, Esteban; Piña, Benjamin; Duarte, Carlos M.; Jiménez, Begoña; Dachs, Jordi

    2016-06-01

    Polycyclic aromatic hydrocarbons, and other semivolatile aromatic-like compounds, are an important and ubiquitous fraction of organic matter in the environment. The occurrence of semivolatile aromatic hydrocarbons is due to anthropogenic sources such as incomplete combustion of fossil fuels or oil spills, and other biogenic sources. However, their global transport, fate and relevance for the carbon cycle have been poorly assessed, especially in terms of fluxes. Here we report a global assessment of the occurrence and atmosphere-ocean fluxes of 64 polycyclic aromatic hydrocarbons analysed in paired atmospheric and seawater samples from the tropical and subtropical Atlantic, Pacific and Indian oceans. The global atmospheric input of polycyclic aromatic hydrocarbons to the global ocean is estimated at 0.09 Tg per month, four times greater than the input from the Deepwater Horizon spill. Moreover, the environmental concentrations of total semivolatile aromatic-like compounds were 102-103 times higher than those of the targeted polycyclic aromatic hydrocarbons, with a relevant contribution of an aromatic unresolved complex mixture. These concentrations drive a large global deposition of carbon, estimated at 400 Tg C yr-1, around 15% of the oceanic CO2 uptake.

  14. Combustion kinetics and reaction pathways

    Energy Technology Data Exchange (ETDEWEB)

    Klemm, R.B.; Sutherland, J.W. [Brookhaven National Laboratory, Upton, NY (United States)

    1993-12-01

    This project is focused on the fundamental chemistry of combustion. The overall objectives are to determine rate constants for elementary reactions and to elucidate the pathways of multichannel reactions. A multitechnique approach that features three independent experiments provides unique capabilities in performing reliable kinetic measurements over an exceptionally wide range in temperature, 300 to 2500 K. Recent kinetic work has focused on experimental studies and theoretical calculations of the methane dissociation system (CH{sub 4} + Ar {yields} CH{sub 3} + H + Ar and H + CH{sub 4} {yields} CH{sub 3} + H{sub 2}). Additionally, a discharge flow-photoionization mass spectrometer (DF-PIMS) experiment is used to determine branching fractions for multichannel reactions and to measure ionization thresholds of free radicals. Thus, these photoionization experiments generate data that are relevant to both reaction pathways studies (reaction dynamics) and fundamental thermochemical research. Two distinct advantages of performing PIMS with high intensity, tunable vacuum ultraviolet light at the National Synchrotron Light Source are high detection sensitivity and exceptional selectivity in monitoring radical species.

  15. Effect of hydrocarbons on plasma treatment of NOx

    Energy Technology Data Exchange (ETDEWEB)

    Penetrante, B.M.; Pitz, W.J.; Hsaio, M.C.; Merritt, B.T.; Vogtlin, G.E. [Lawrence Livermore National Lab., CA (United States)

    1997-12-31

    Lean burn gasoline engine exhausts contain a significant amount of hydrocarbons in the form of propene. Diesel engine exhausts contain little gaseous hydrocarbon; however, they contain a significant amount of liquid-phase hydrocarbons (known as the volatile organic fraction) in the particulates. The objective of this paper is to examine the fate of NO{sub x} when an exhaust gas mixture that contains hydrocarbons is subjected to a plasma. The authors will show that the hydrocarbons promote the oxidation of NO to NO{sub 2}, but not the reduction of NO to N{sub 2}. The oxidation of NO to NO{sub 2} is strongly coupled with the hydrocarbon oxidation chemistry. This result suggests that gas-phase reactions in the plasma alone cannot lead to the chemical reduction of NO{sub x}. Any reduction of NO{sub x} to N{sub 2} can only be accomplished through heterogeneous reactions of NO{sub 2} with surfaces or particulates.

  16. Radiative Augmented Combustion.

    Science.gov (United States)

    1985-08-12

    86-0085 In 00I to RADIATIVE AUGMENTED COMBUSTION MOSHE LAVID M.L. ENERGIA , INC. P.O. BOX 1468 1 PRINCETON, NEW JERSEY 08542 AUGUST 1985 *.. plo...Combustion conducted at M.L. ENERGIA . It is funded by the Air Force Office of Scientific Research under Contract No. F49620-83-C-0133, with Dr. J.M...reported. It covers the second year of the contract, from July 15, 1984 through July 14, 1985. The work was performed at ENERGIA , Princeton, New Jersey

  17. Transition nozzle combustion system

    Energy Technology Data Exchange (ETDEWEB)

    Kim, Won-Wook; McMahan, Kevin Weston; Maldonado, Jaime Javier

    2016-11-29

    The present application provides a combustion system for use with a cooling flow. The combustion system may include a head end, an aft end, a transition nozzle extending from the head end to the aft end, and an impingement sleeve surrounding the transition nozzle. The impingement sleeve may define a first cavity in communication with the head end for a first portion of the cooling flow and a second cavity in communication with the aft end for a second portion of the cooling flow. The transition nozzle may include a number of cooling holes thereon in communication with the second portion of the cooling flow.

  18. Combustion characteristics of SI engine fueled with methanol-gasoline blends during cold start

    Institute of Scientific and Technical Information of China (English)

    Ruizhi SONG; Tiegang HU; Shenghua LIU; Xiaoqiang LIANG

    2008-01-01

    A 3-cylinder port fuel injection (PFI) engine fueled with methanol-gasoline blends was used to study combustion and emission characteristics. Cylinder pres-sure analysis indicates that engine combustion is improved when methanol is added to gasoline. With the increase of methanol, the flame developing period and the rapid combustion period are shortened, and the indicated mean effective pressure increases during the first 50 cycles. Meanwhile, a novel quasi-instantaneous sampling system was designed to measure engine emissions during cold start and warm-up. The results at 5℃ show that unburned hydrocarbon (UHC) and carbon monoxide (CO) decrease remarkably. Hydrocarbon (HC) reduces by 40% and CO by 70% when fueled with M30 (30% methanol in volume). The exhaust gas temperature is about 140℃ higher at 200 s after operation compared with that of gasoline.

  19. Emulsified fuels. Its use in stationary sources; Combustibles emulsionados. Su utilizacion en fuentes estacionarias

    Energy Technology Data Exchange (ETDEWEB)

    Campos Morales, Gilberto; Magdaleno Molina, Moises; Vargas Y, Victor M.; Gavira D, A. [Instituto Mexicano del Petroleo, Mexico, D. F. (Mexico)

    1992-12-31

    Basic aspects are set forth of the heavy hydrocarbon fuels, the principles, preparation and particularities of the combustion with emulsions, that currently represent one option, either by themselves or in combination with other technologies to utilize heavy hydrocarbons, obtaining advantages in the reduction of polluting emissions, particulate matter and NOx, which allow continuing operating the operation within the limits established by the technical ecological standards. [Espanol] Se exponen aspectos basicos de los combustibles de hidrocarburos pesados (HC), los principios, preparacion y particularidades de la combustion con emulsiones, que actualmente representan una alternativa por si solos o en combinacion con otras tecnologias para utilizar hidrocarburos pesados, obteniendose ventajas en la reduccion de emisiones de contaminantes de particulas y NOx, lo cual permite continuar operando dentro de los limites que establecen las normas tecnicas ecologicas.

  20. Polymer Chemistry

    Science.gov (United States)

    Williams, Martha; Roberson, Luke; Caraccio, Anne

    2010-01-01

    This viewgraph presentation describes new technologies in polymer and material chemistry that benefits NASA programs and missions. The topics include: 1) What are Polymers?; 2) History of Polymer Chemistry; 3) Composites/Materials Development at KSC; 4) Why Wiring; 5) Next Generation Wiring Materials; 6) Wire System Materials and Integration; 7) Self-Healing Wire Repair; 8) Smart Wiring Summary; 9) Fire and Polymers; 10) Aerogel Technology; 11) Aerogel Composites; 12) Aerogels for Oil Remediation; 13) KSC's Solution; 14) Chemochromic Hydrogen Sensors; 15) STS-130 and 131 Operations; 16) HyperPigment; 17) Antimicrobial Materials; 18) Conductive Inks Formulations for Multiple Applications; and 19) Testing and Processing Equipment.

  1. Evaporation of hydrocarbon compounds, including gasoline and diesel fuel, on heated metal surfaces

    Energy Technology Data Exchange (ETDEWEB)

    Fardad, D.; Ladommatos, N. [Brunel Univ., Dept. of Mechanical Engineering, Uxbridge (United Kingdom)

    1999-11-01

    An investigation was carried out on the evaporation of various hydrocarbon liquids on heated surfaces. Single and multicomponent hydrocarbon compounds were used, including hexane, heptane, octane, a hexane-octane mixture, gasoline and diesel fuel. The heated surface included aluminium, mild steel, cast iron and copper. Tests were also carried out with different surface textures and surface coatings. The motivation for this work was a desire to improve understanding of the evaporation processes taking place in the inlet port and, to a lesser extent, within the combustion chamber of internal combustion engines. The hydrocarbon compounds were released on the heated surfaces as individual small droplets, and the subsequent evaporation was recorded using a CCD (charge coupled device) camera. These observations were then used to ascertain the effects of material, surface temperature, surface textures, surface coating and liquid composition on the heat flux and other aspects of droplet behaviour. (Author)

  2. Toxicology of Biodiesel Combustion products

    Science.gov (United States)

    1. Introduction The toxicology of combusted biodiesel is an emerging field. Much of the current knowledge about biological responses and health effects stems from studies of exposures to other fuel sources (typically petroleum diesel, gasoline, and wood) incompletely combusted. ...

  3. Quantitative Hydrocarbon Surface Analysis

    Science.gov (United States)

    Douglas, Vonnie M.

    2000-01-01

    The elimination of ozone depleting substances, such as carbon tetrachloride, has resulted in the use of new analytical techniques for cleanliness verification and contamination sampling. The last remaining application at Rocketdyne which required a replacement technique was the quantitative analysis of hydrocarbons by infrared spectrometry. This application, which previously utilized carbon tetrachloride, was successfully modified using the SOC-400, a compact portable FTIR manufactured by Surface Optics Corporation. This instrument can quantitatively measure and identify hydrocarbons from solvent flush of hardware as well as directly analyze the surface of metallic components without the use of ozone depleting chemicals. Several sampling accessories are utilized to perform analysis for various applications.

  4. Miscellaneous hydrocarbon solvents.

    Science.gov (United States)

    Bebarta, Vikhyat; DeWitt, Christopher

    2004-08-01

    The solvents discussed in this article are common solvents not categorized as halogenated, aromatic, or botanical. The solvents discussed are categorized into two groups: hydrocarbon mixtures and single agents. The hydrocarbon mixtures discussed are Stoddard solvent, naphtha, and kerosene. The remaining solvents described are n-hexane, methyl n-butyl ketone, dimethylformamide, dimethyl sulfoxide, and butyl mercaptans. Effects common to this group of agents and their unique effects are characterized. Treatment of exposures and toxic effects of these solvents is described, and physiochemical properties and occupational exposure levels are listed.

  5. An Experimental and Kinetic Calculation of the Promotion Effect of Hydrocarbons on the NO-NO2 Conversion in a Flow Reacto

    Energy Technology Data Exchange (ETDEWEB)

    Hori, M; Marinov, N; Matsunaga, N; Pitz, W; Westbrook, C

    1998-01-06

    The main route to nitrogen dioxide (NOz) formation in combustion systems is through the oxidation of nitric oxide (NO). This process was originally invcstigafed in order to explain the high proportion of NOz found in NOx emissions from the exhaust of gas turbine engines [l]. Moreover, the understanding of the NO-NO2 conversion mechanism is relevant to a number of issues including NOz emission from unflued space heaters, development of NOx control technologies, behavior of NO/N02 in the atmosphere, formation and reduction chemistry of NOx, and the probe sampling techniques for NOx concentration measurements. Originally, the NO-NO2 conversion was thought to proceed through the rapid oxidation of NO by oxidative radicals without much attention to the effect of fuels on the conversion [2-41. Although, in later studies, it was revealed that the conversion was greatly promoted by small quantities of fuels such as hydrocarbons, Hz, CO, and methanol [S-9]. In our former experiment and model calculation of the NO-NO2 conversion in the mixing of hot combustion gas with cold air and nine different fuels [6], the results indicated that NO-NO2 conversion appeared only in the low temperature range, and showed a strong dependence on fuel type. Thus, the interaction between the NO-NO2 reactions and the oxidation reactions of the fuel in the low temperature range must be .understood in order to explain the effect of fuel type on the NO-NO2 conversion and consequently to predict the NO/NO2 emission levels from combustion systems.

  6. Tailoring next-generation biofuels and their combustion in next-generation engines.

    Energy Technology Data Exchange (ETDEWEB)

    Gladden, John Michael; Wu, Weihua; Taatjes, Craig A.; Scheer, Adam Michael; Turner, Kevin M.; Yu, Eizadora T.; O' Bryan, Greg; Powell, Amy Jo; Gao, Connie W.

    2013-11-01

    Increasing energy costs, the dependence on foreign oil supplies, and environmental concerns have emphasized the need to produce sustainable renewable fuels and chemicals. The strategy for producing next-generation biofuels must include efficient processes for biomass conversion to liquid fuels and the fuels must be compatible with current and future engines. Unfortunately, biofuel development generally takes place without any consideration of combustion characteristics, and combustion scientists typically measure biofuels properties without any feedback to the production design. We seek to optimize the fuel/engine system by bringing combustion performance, specifically for advanced next-generation engines, into the development of novel biosynthetic fuel pathways. Here we report an innovative coupling of combustion chemistry, from fundamentals to engine measurements, to the optimization of fuel production using metabolic engineering. We have established the necessary connections among the fundamental chemistry, engine science, and synthetic biology for fuel production, building a powerful framework for co-development of engines and biofuels.

  7. Thermochemical properties, rotation barriers, and group additivity for unsaturated oxygenated hydrocarbons and radicals resulting from reaction of vinyl and phenyl radical systems with O2.

    Science.gov (United States)

    Sebbarand, Nadia; Bockhorn, Henning; Bozzelli, Joseph W

    2005-03-17

    Oxidation of unsaturated and aromatic hydrocarbons in atmospheric and combustion processes results in formation of linear and cyclic unsaturated, oxygenated-hydrocarbon intermediates. The thermochemical parameters delatafH degrees 298, S degrees 298, and C(p)(f298)(T) for these intermediates are needed to understand their stability and reaction paths in further oxidation. These properties are not available for a majority of these unsaturated oxy-hydrocarbons and their corresponding radicals, even via group additivity methods. Enthalpy, entropy, and heat capacity of a series of 40 oxygenated and non-oxygenated molecules, or radicals corresponding to hydrogen atom loss from the parent stable molecules are determined in this study. Enthalpy (delatafH degrees 298 in kcal mol(-1)) is derived from the density function calculations at the B3LYP/6-311g(d,p) calculated enthalpy of reaction (delatafH degrees rxn,298) and by use of isodesmic (work) reactions. Estimation of error in enthalpy delatafH degrees 298, from use of computational chemistry coupled with work reactions analysis, is presented using comparisons between the calculated and literature enthalpies of reaction. Entropies (S degrees 298) and heat capacities (C(p)(f298)(T)) were calculated using the B3LYP/6-311G(d,p) determined frequencies and geometries. Potential barriers for internal rotors in each molecule were determined and used (in place of torsion frequencies) to calculate contributions to S and C(p)(T) from the hindered rotors. Twenty-six groups for use in group additivity (GA) are also developed.

  8. Organic chemistry in the atmosphere. [laboratory modeling of Titan atmosphere

    Science.gov (United States)

    Sagan, C.

    1974-01-01

    The existence of an at least moderately complex organic chemistry on Titan is stipulated based on clear evidence of methane, and at least presumptive evidence of hydrogen in its atmosphere. The ratio of methane to hydrogen is the highest of any atmosphere in the solar system. Irradiation of hydrogen/methane mixtures produces aromatic and aliphatic hydrocarbons. A very reasonable hypothesis assumes that the red cloud cover of Titan is made of organic chemicals. Two-carbon hydrocarbons experimentally produced from irradiated mixtures of methane, ammonia, water, and hydrogen bear out the possible organic chemistry of the Titanian environment.

  9. Tabulated Combustion Model Development For Non-Premixed Flames

    Science.gov (United States)

    Kundu, Prithwish

    Turbulent non-premixed flames play a very important role in the field of engineering ranging from power generation to propulsion. The coupling of fluid mechanics and complicated combustion chemistry of fuels pose a challenge for the numerical modeling of these type of problems. Combustion modeling in Computational Fluid Dynamics (CFD) is one of the most important tools used for predictive modeling of complex systems and to understand the basic fundamentals of combustion. Traditional combustion models solve a transport equation of each species with a source term. In order to resolve the complex chemistry accurately it is important to include a large number of species. However, the computational cost is generally proportional to the cube of number of species. The presence of a large number of species in a flame makes the use of CFD computationally expensive and beyond reach for some applications or inaccurate when solved with simplified chemistry. For highly turbulent flows, it also becomes important to incorporate the effects of turbulence chemistry interaction (TCI). The aim of this work is to develop high fidelity combustion models based on the flamelet concept and to significantly advance the existing capabilities. A thorough investigation of existing models (Finite-rate chemistry and Representative Interactive Flamelet (RIF)) and comparative study of combustion models was done initially on a constant volume combustion chamber with diesel fuel injection. The CFD modeling was validated with experimental results and was also successfully applied to a single cylinder diesel engine. The effect of number of flamelets on the RIF model and flamelet initialization strategies were studied. The RIF model with multiple flamelets is computationally expensive and a model was proposed on the frame work of RIF. The new model was based on tabulated chemistry and incorporated TCI effects. A multidimensional tabulated chemistry database generation code was developed based on the 1

  10. Colorful Chemistry

    Science.gov (United States)

    Sullivan, P. Teal; Carsten Conner, L. D.; Guthrie, Mareca; Pompea, Stephen; Tsurusaki, Blakely K.; Tzou, Carrie

    2017-01-01

    This article describes a chemistry/art activity that originated in an National Science Foundation--funded two-week STEAM (Science, Technology, Engineering, Art, and Math) academy for grade 4-6 girls. The authors recommend using this investigation in conjunction with other activities focusing on chemical change as a step toward fulfilling the…

  11. Corrosion performance of materials for advanced combustion systems

    Energy Technology Data Exchange (ETDEWEB)

    Natesan, K.; Yanez-Herrero, M.; Fornasieri, C.

    1993-12-01

    Conceptual designs of advanced combustion systems that utilize coal as a feedstock require high-temperature furnaces and heat transfer surfaces capable of operating at more elevated temperatures than those prevalent in current coal-fired power plants. The combination of elevated temperatures and hostile combustion environments necessitates development/application of advanced ceramic materials in these designs. This report characterizes the chemistry of coal-fired combustion environments over the wide temperature range that is of interest in these systems and discusses preliminary experimental results on several materials (alumina, Hexoloy, SiC/SiC, SiC/Si{sub 3}N{sub 4}/Si{sub 3}N{sub 4}, ZIRCONIA, INCONEL 677 and 617) with potential for application in these systems.

  12. Experimental combustion an introduction

    CERN Document Server

    Mishra, D P

    2014-01-01

    ""… other books available in this area do not cover the detailed topics covered here. Energy and combustion is a hot issue. It is expected to be even hotter with more demand in this area as we search for cleaner methods of energy conversion from chemical to thermal energy.""-Ashwani K. Gupta, Department of Mechanical Engineering, University of Maryland, College Park, USA

  13. Coal combustion research

    Energy Technology Data Exchange (ETDEWEB)

    Daw, C.S.

    1996-06-01

    This section describes research and development related to coal combustion being performed for the Fossil Energy Program under the direction of the Morgantown Energy Technology Center. The key activity involves the application of chaos theory for the diagnosis and control of fossil energy processes.

  14. Optical Tomography in Combustion

    DEFF Research Database (Denmark)

    Evseev, Vadim

    . JQSRT 113 (2012) 2222, 10.1016/j.jqsrt.2012.07.015] included in the PhD thesis as an attachment. The knowledge and experience gained in the PhD project is the first important step towards introducing the advanced optical tomography methods of combustion diagnostics developed in the project to future...

  15. Combustion Models in Finance

    CERN Document Server

    Tannous, C

    2001-01-01

    Combustion reaction kinetics models are used for the description of a special class of bursty Financial Time Series. The small number of parameters they depend upon enable financial analysts to predict the time as well as the magnitude of the jump of the value of the portfolio. Several Financial Time Series are analysed within this framework and applications are given.

  16. Flameless Combustion Workshop

    Science.gov (United States)

    2005-09-20

    operating hours, to produce low emission levels of NOx, CO and UHC . Gas turbine combustion stability has increasingly become a crucial design issue as...achieved proved: "* Safe and reliable operation ofgas turbine combustors "* Low emissions of NO., CO and UHC These results have clear economically

  17. Apparatus and methods for hydrocarbon extraction

    Science.gov (United States)

    Bohnert, George W.; Verhulst, Galen G.

    2016-04-26

    Systems and methods for hydrocarbon extraction from hydrocarbon-containing material. Such systems and methods relate to extracting hydrocarbon from hydrocarbon-containing material employing a non-aqueous extractant. Additionally, such systems and methods relate to recovering and reusing non-aqueous extractant employed for extracting hydrocarbon from hydrocarbon-containing material.

  18. Optrode for sensing hydrocarbons

    Science.gov (United States)

    Miller, Holly; Milanovich, Fred P.; Hirschfeld, Tomas B.; Miller, Fred S.

    1987-01-01

    A two-phase system employing the Fujiwara reaction is provided for the fluorometric detection of halogenated hydrocarbons. A fiber optic is utilized to illuminate a column of pyridine trapped in a capillary tube coaxially attached at one end to the illuminating end of the fiber optic. A strongly alkaline condition necessary for the reaction is maintained by providing a reservoir of alkali in contact with the column of pyridine, the surface of contact being adjacent to the illuminating end of the fiber optic. A semipermeable membrane caps the other end of the capillary tube, the membrane being preferentially permeable to the halogenated hydrocarbon and but preferentially impermeable to water and pyridine. As the halogenated hydrocarbon diffuses through the membrane and into the column of pyridine, fluorescent reaction products are formed. Light propagated by the fiber optic from a light source, excites the fluorescent products. Light from the fluorescence emission is also collected by the same fiber optic and transmitted to a detector. The intensity of the fluorescence gives a measure of the concentration of the halogenated hydrocarbons.

  19. Optimization of gasoline hydrocarbon compositions for reducing exhaust emissions.

    Science.gov (United States)

    Shen, Yitao; Shuai, Shijin; Wang, Jianxin; Xiao, Jianhua

    2009-01-01

    Effects of hydrocarbon compositions on raw exhaust emissions and combustion processes were studied on an engine test bench. The optimization of gasoline hydrocarbon composition was discussed. As olefins content increased from 10.0% to 25.0% in volume, the combustion duration was shortened by about 2 degree crank angle (degrees CA), and the engine-out THC emission was reduced by about 15%. On the other hand, as aromatics content changed from 35.0% to 45.0%, the engine-out NOx emissions increased by 4%. An increment in olefins content resulted in a slight increase in engine-out CO emission, while the aromatics content had little effect on engine-out total hydrocarbon (THC) and CO emissions. Over the new European driving cycle (NEDC), the THC, NOx and CO emissions of fuel with 25.0% olefins and 35.0% aromatics were about 45%, 21% and 19% lower than those of fuel with 10.0% olefins and 40.0% aromatics, respectively. The optimized gasoline compositions for new engines and new vehicles have low aromatics and high olefins contents.

  20. Kinetics of in situ combustion. SUPRI TR 91

    Energy Technology Data Exchange (ETDEWEB)

    Mamora, D.D.; Ramey, H.J. Jr.; Brigham, W.E.; Castanier, L.M.

    1993-07-01

    Oxidation kinetic experiments with various crude oil types show two reaction peaks at about 250{degree}C (482{degree}F) and 400{degree}C (725{degree}F). These experiments lead to the conclusion that the fuel during high temperature oxidation is an oxygenated hydrocarbon. A new oxidation reaction model has been developed which includes two partially-overlapping reactions: namely, low-temperature oxidation followed by high-temperature oxidation. For the fuel oxidation reaction, the new model includes the effects of sand grain size and the atomic hydrogen-carbon (H/C) and oxygen-carbon (O/C) ratios of the fuel. Results based on the new model are in good agreement with the experimental data. Methods have been developed to calculate the atomic H/C and O/C ratios. These methods consider the oxygen in the oxygenated fuel, and enable a direct comparison of the atomic H/C ratios obtained from kinetic and combustion tube experiments. The finding that the fuel in kinetic tube experiments is an oxygenated hydrocarbon indicates that oxidation reactions are different in kinetic and combustion tube experiments. A new experimental technique or method of analysis will be required to obtain kinetic parameters for oxidation reactions encountered in combustion tube experiments and field operations.

  1. Nestmate recognition in social insects and the role of hydrocarbons

    DEFF Research Database (Denmark)

    van Zweden, Jelle Stijn; D'Ettorre, Patrizia

    2010-01-01

    . The material presented is a major resource for current researchers and a source of ideas for new researchers. A unique critical review of the biology, biochemistry and chemical ecology of insect hydrocarbons, and therefore an important resource for current researchers and those new to the field Featuring......A unique and critical analysis of the wealth of research conducted on the biology, biochemistry and chemical ecology of the rapidly growing field of insect cuticular hydrocarbons. Authored by leading experts in their respective fields, the twenty chapters show the complexity that has been...... discovered in the nature and role of hydrocarbons in entomology. Covers, in great depth, aspects of chemistry (structures, qualitative and quantitative analysis), biochemistry (biosynthesis, molecular biology, genetics, evolution), physiology, taxonomy, and ecology. Clearly presents to the reader the array...

  2. NUMERICAL STUDY OF FORWARD SMOLDERING COMBUSTION (in Spanish)

    OpenAIRE

    Rein, Guillermo; Torero, Jose Luis; Ellzey, Janet L.

    2002-01-01

    (in English) Abstract This paper presents the results from the numerical study of the forward smoldering combustion process. The study is based on the transient model developed at University of Texas at Austin but extended with some modifications. In the model, the equations of conservation of energy and mass are solved. The chemistry is represented by a simplified scheme which consists of three reactions. Equations are discretized in space and solved in time. Neither thermal nor che...

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

    Energy Technology Data Exchange (ETDEWEB)

    2014-12-01

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

  4. Hydrocarbon fuel processing of micro solid oxide fuel cell systems[Dissertation 17455

    Energy Technology Data Exchange (ETDEWEB)

    Stutz, M. J.

    2007-07-01

    The scope of this thesis is the numerical and experimental investigation of the fuel processing of a micro solid oxide fuel cell (SOFC) running on hydrocarbon fuel. The goal is to enhance the overall system efficiency by optimization of the reforming process in the steady state and the improvement of the start-up process. Micro SOFC are a potential alternative to the currently used batteries in portable devices. Liquid butane in a cartridge could be the energy source. This dissertation is focused on the fuel processing of the system, namely the reforming and post-combusting processes. The reformer converts the hydrocarbon fuel to a hydrogen rich gas that can be utilized by the SOFC. The post-combustor depletes the toxic and/or explosive gases before leaving the exhaust. Chapter One presents a short introduction to the field of hydrocarbon fuel processing in micro solid oxide fuel cell systems, the next three chapters deal with computational modeling of the transport phenomena inside a micro-reformer, which leads to a better understanding of the chemistry and the physics therein, hence progress in the design and operation parameters. The experimental part (i.e. Chapter Five) of this thesis focuses on the feasibility of a novel hybrid start-up method of a fuel cell system that employs existing components as an additional heat source. In Chapter Two the effect of wall heat conduction on the syngas (hydrogen and carbon monoxide) production of a micro-reformer, representing micro-fabricated channels or monoliths, is investigated. Methane is used as a model hydrocarbon fuel since its heterogeneous reaction path on rhodium is known and validated. The simulations demonstrate that the axial wall conduction strongly influences the performance of the micro-reformer and should not be neglected without a careful a priori investigation of its impact. Methane conversion and hydrogen yield are strongly dependent of the wall inner surface temperature, which is influenced by the

  5. Hydrocarbon fuel processing of micro solid oxide fuel cell systems[Dissertation 17455

    Energy Technology Data Exchange (ETDEWEB)

    Stutz, M. J.

    2007-07-01

    The scope of this thesis is the numerical and experimental investigation of the fuel processing of a micro solid oxide fuel cell (SOFC) running on hydrocarbon fuel. The goal is to enhance the overall system efficiency by optimization of the reforming process in the steady state and the improvement of the start-up process. Micro SOFC are a potential alternative to the currently used batteries in portable devices. Liquid butane in a cartridge could be the energy source. This dissertation is focused on the fuel processing of the system, namely the reforming and post-combusting processes. The reformer converts the hydrocarbon fuel to a hydrogen rich gas that can be utilized by the SOFC. The post-combustor depletes the toxic and/or explosive gases before leaving the exhaust. Chapter One presents a short introduction to the field of hydrocarbon fuel processing in micro solid oxide fuel cell systems, the next three chapters deal with computational modeling of the transport phenomena inside a micro-reformer, which leads to a better understanding of the chemistry and the physics therein, hence progress in the design and operation parameters. The experimental part (i.e. Chapter Five) of this thesis focuses on the feasibility of a novel hybrid start-up method of a fuel cell system that employs existing components as an additional heat source. In Chapter Two the effect of wall heat conduction on the syngas (hydrogen and carbon monoxide) production of a micro-reformer, representing micro-fabricated channels or monoliths, is investigated. Methane is used as a model hydrocarbon fuel since its heterogeneous reaction path on rhodium is known and validated. The simulations demonstrate that the axial wall conduction strongly influences the performance of the micro-reformer and should not be neglected without a careful a priori investigation of its impact. Methane conversion and hydrogen yield are strongly dependent of the wall inner surface temperature, which is influenced by the

  6. Optimal Bayesian Experimental Design for Combustion Kinetics

    KAUST Repository

    Huan, Xun

    2011-01-04

    Experimental diagnostics play an essential role in the development and refinement of chemical kinetic models, whether for the combustion of common complex hydrocarbons or of emerging alternative fuels. Questions of experimental design—e.g., which variables or species to interrogate, at what resolution and under what conditions—are extremely important in this context, particularly when experimental resources are limited. This paper attempts to answer such questions in a rigorous and systematic way. We propose a Bayesian framework for optimal experimental design with nonlinear simulation-based models. While the framework is broadly applicable, we use it to infer rate parameters in a combustion system with detailed kinetics. The framework introduces a utility function that reflects the expected information gain from a particular experiment. Straightforward evaluation (and maximization) of this utility function requires Monte Carlo sampling, which is infeasible with computationally intensive models. Instead, we construct a polynomial surrogate for the dependence of experimental observables on model parameters and design conditions, with the help of dimension-adaptive sparse quadrature. Results demonstrate the efficiency and accuracy of the surrogate, as well as the considerable effectiveness of the experimental design framework in choosing informative experimental conditions.

  7. Combustion of char from plastic wastes pyrolysis

    Science.gov (United States)

    Saptoadi, Harwin; Rohmat, Tri Agung; Sutoyo

    2016-06-01

    A popular method to recycle plastic wastes is pyrolysis, where oil, gas and char can be produced. These products can be utilized as fuels because they are basically hydrocarbons. The research investigates char properties, including their performance as fuel briquettes. There are 13 char samples from PE (Polyethylene) pyrolyzed at temperatures of around 450 °C, with and without a catalyst. Some of the samples were obtained from PE mixed with other types, such as Polystyrene (PS), Polypropylene (PP), Polyethylene Terephthalate (PET), and Others. Char properties, such as moisture, ash, volatile matter, and fixed carbon contents, are revealed from the proximate analysis, whereas calorific values were measured with a bomb calorimeter. Briquettes are made by mixing 4 g of char with 0.5 - 1 g binder. Briquettes are hollow cylinders with an outer and inner diameter of around 1.75 cm and 0.25 cm, respectively. Combustion is carried out in a furnace with wall temperatures of about 230°C and a constant air velocity of 0.7 m/s. Five out of 13 char briquettes are not feasible because they melt during combustion. Briquettes made from 100% PE wastes burn in substantially shorter duration than those from mixed plastic wastes. Char #1 and #5 are excellent due to their highest energy release, whereas #10 show the worst performance.

  8. Mantle hydrocarbons: abiotic or biotic?

    Science.gov (United States)

    Sugisaki, R; Mimura, K

    1994-06-01

    Analyses of 227 rocks from fifty localities throughout the world showed that mantle derived rocks such as tectonized peridotites in ophiolite sequences (tectonites) arid peridotite xenoliths in alkali basalts contain heavier hydrocarbons (n-alkanes), whereas igneous rocks produced by magmas such as gabbro arid granite lack them. The occurrence of hydrocarbons indicates that they were not derived either from laboratory contamination or from held contamination; these compounds found in the mantle-derived rocks are called here "mantle hydrocarbons." The existence of hydrocarbons correlates with petrogenesis. For example, peridotite cumulates produced by magmatic differentiation lack hydrocarbons whereas peridotite xenoliths derived from the mantle contain them. Gas chromatographic-mass spectrometric records of the mantle hydrocarbons resemble those of aliphatics in meteorites and in petroleum. Features of the hydrocarbons are that (a) the mantle hydrocarbons reside mainly along grain boundaries and in fluid inclusions of minerals; (b) heavier isoprenoids such as pristane and phytane are present; and (c) delta 13C of the mantle hydrocarbons is uniform (about -27%). Possible origins for the mantle hydrocarbons are as follows. (1) They were in organically synthesized by Fischer-Tropsch type reaction in the mantle. (2) They were delivered by meteorites and comets to the early Earth. (3) They were recycled by subduction. The mantle hydrocarbons in the cases of (1) and (2) are abiogenic and those in (3) are mainly biogenic. It appears that hydrocarbons may survive high pressures and temperatures in the mantle, but they are decomposed into lighter hydrocarbon gases such as CH4 at lower pressures when magmas intrude into the crust; consequently, peridotite cumulates do not contain heavier hydrocarbons but possess hydrocarbon gases up to C4H10.

  9. Real-time combustion control and diagnostics sensor-pressure oscillation monitor

    Science.gov (United States)

    Chorpening, Benjamin T.; Thornton, Jimmy; Huckaby, E. David; Richards, George A.

    2009-07-14

    An apparatus and method for monitoring and controlling the combustion process in a combustion system to determine the amplitude and/or frequencies of dynamic pressure oscillations during combustion. An electrode in communication with the combustion system senses hydrocarbon ions and/or electrons produced by the combustion process and calibration apparatus calibrates the relationship between the standard deviation of the current in the electrode and the amplitudes of the dynamic pressure oscillations by applying a substantially constant voltage between the electrode and ground resulting in a current in the electrode and by varying one or more of (1) the flow rate of the fuel, (2) the flow rate of the oxidant, (3) the equivalence ratio, (4) the acoustic tuning of the combustion system, and (5) the fuel distribution in the combustion chamber such that the amplitudes of the dynamic pressure oscillations in the combustion chamber are calculated as a function of the standard deviation of the electrode current. Thereafter, the supply of fuel and/or oxidant is varied to modify the dynamic pressure oscillations.

  10. Real-time combustion control and diagnostics sensor-pressure oscillation monitor

    Science.gov (United States)

    Chorpening, Benjamin T.; Thornton, Jimmy; Huckaby, E. David; Richards, George A.

    2009-07-14

    An apparatus and method for monitoring and controlling the combustion process in a combustion system to determine the amplitude and/or frequencies of dynamic pressure oscillations during combustion. An electrode in communication with the combustion system senses hydrocarbon ions and/or electrons produced by the combustion process and calibration apparatus calibrates the relationship between the standard deviation of the current in the electrode and the amplitudes of the dynamic pressure oscillations by applying a substantially constant voltage between the electrode and ground resulting in a current in the electrode and by varying one or more of (1) the flow rate of the fuel, (2) the flow rate of the oxidant, (3) the equivalence ratio, (4) the acoustic tuning of the combustion system, and (5) the fuel distribution in the combustion chamber such that the amplitudes of the dynamic pressure oscillations in the combustion chamber are calculated as a function of the standard deviation of the electrode current. Thereafter, the supply of fuel and/or oxidant is varied to modify the dynamic pressure oscillations.

  11. Combustion calorimetry experimental chemical thermodynamics

    CERN Document Server

    Sunner, Stig

    1979-01-01

    Combustion Calorimetry deals with expertise knowledge concerning the calorimetry of combustion reactions of an element or compound. After defining the use of units and physical constants, the book discusses the basic principles of combustion calorimetry and the various instruments and calorimeters used in the experiments to measure operations concerning temperatures and its time variations. One paper discusses the theory and design criteria of combustion calorimeter calibration. Another paper discusses the results obtained from a combustion calorimeter after it has measured the energy or entha

  12. Modelling of CWS combustion process

    Science.gov (United States)

    Rybenko, I. A.; Ermakova, L. A.

    2016-10-01

    The paper considers the combustion process of coal water slurry (CWS) drops. The physico-chemical process scheme consisting of several independent parallel-sequential stages is offered. This scheme of drops combustion process is proved by the particle size distribution test and research stereomicroscopic analysis of combustion products. The results of mathematical modelling and optimization of stationary regimes of CWS combustion are provided. During modeling the problem of defining possible equilibrium composition of products, which can be obtained as a result of CWS combustion processes at different temperatures, is solved.

  13. Industrial chemistry engineering

    Energy Technology Data Exchange (ETDEWEB)

    NONE

    1993-01-15

    This book on industrial chemistry engineering is divided in two parts. The first part deals with industrial chemistry, inorganic industrial chemistry, organic industrial chemistry, analytical chemistry and practical questions. The last parts explain the chemical industry, a unit parts and thermodynamics in chemical industry and reference. It reveals the test subjects for the industrial chemistry engineering with a written examination and practical skill.

  14. Bacterial sources for phenylalkane hydrocarbons

    Energy Technology Data Exchange (ETDEWEB)

    Ellis, L.; Winans, R.E. [Argonne National Lab., IL (United States); Langworthy, T. [Univ. of South Dakota, Vermillion, SD (United States)

    1996-10-01

    The presence of phenylalkane hydrocarbons in geochemical samples has been the source of much controversy. Although an anthropogenic input from detergent sources always appears likely, the distribution of phenylalkane hydrocarbons in some cases far exceeding that attributed to detergent input has led to a reappraisal of this view. Indeed, recent work involving analysis of the lipid hydrocarbon extracts from extant Thermoplasma bacteria has revealed the presence of phenylalkane hydrocarbons. The presence of phenylalkane hydrocarbons in sedimentary organic matter may therefore represent potential biological markers for thermophilic bacteria.

  15. Effects of non-thermal plasmas and electric field on hydrocarbon/air flames

    Science.gov (United States)

    Ganguly, Biswa

    2009-10-01

    Need to improve fuel efficiency, and reduce emission from hydrocarbon combustor in automotive and gas turbine engines have reinvigorated interest in reducing combustion instability of a lean flame. The heat generation rate in a binary reaction is HQ =N^2 c1c2 Q exp(-E/RT), where N is the density, c1 and c2 are mol fractions of the reactants, Q is the reaction heat release, E is the activation energy, R is the gas constant and T is the average temperature. For hydrocarbon-air reactions, the typical value of E/R ˜20, so most heat release reactions are confined to a thin reaction sheet at T >=1400 K. The lean flame burning condition is susceptible to combustion instability due to a critical balance between heat generation and heat loss rates, especially at high gas flow rate. Radical injection can increase flame speed by reducing the hydrocarbon oxidation reaction activation barrier and it can improve flame stability. Advances in nonequilibrium plasma generation at high pressure have prompted its application for energy efficient radical production to enhance hydrocarbon-air combustion. Dielectric barrier discharges and short pulse excited corona discharges have been used to enhance combustion stability. Direct electron impact dissociation of hydrocarbon and O2 produces radicals with lower fuel oxidation reaction activation barriers, initiating heat release reaction CnHm+O CnHm-1+ OH (and other similar sets of reactions with partially dissociated fuel) below the typical cross-over temperature. Also, N2 (A) produced in air discharge at a moderate E/n can dissociate O2 leading to oxidation of fuel at lower gas temperature. Low activation energy reactions are also possible by dissociation of hydrocarbon CnHm+e -> CnHm-2+H2+e, where a chain propagation reaction H2+ O OH+H can be initiated at lower gas temperature than possible under thermal equilibrium kinetics. Most of heat release comes from the reaction CO+OH-> CO2 +H, nonthermal OH production seem to improve

  16. Conditional moment closure for two-phase flows - A review of recent developments and application to various spray combustion configurations

    Science.gov (United States)

    Wright, Y. M.; Bolla, M.; Boulouchos, K.; Borghesi, G.; Mastorakos, E.

    2015-01-01

    Energy conversion devices of practical interest such as engines or combustors operate in highly turbulent flow regimes. Due to the nature of the hydrocarbon fuels employed, the oxidation chemistry involves a broad range of time-scales some of which cannot be decoupled from the flow. Among the approaches utilised to tackle the modelling of turbulent combustion, Conditional Moment Closure (CMC), belonging to the computationally efficient class of presumed PDF methods, has shown great potential. For single-phase flows it has been demonstrated on non-premixed turbulent lifted and opposed jets, lifted flames and auto-igniting jets. Here we seek to review recent advances in both modelling and application of CMC for auto-ignition of fuel sprays. The experiments chosen for code validation and model improvement include generic spray test rigs with dimensions of passenger car as well as large two-stroke marine engines. Data for a broad range of operating conditions of a heavy-duty truck engine is additionally employed to assess the predictive capability of the model with respect to NOx emissions. An outlook on future enhancements including e.g. LES-CMC formulation also for two-phase flows as well as developments in the field of soot emissions are summarised briefly.

  17. Natural and anthropogenic hydrocarbon inputs to sediments of Patos Lagoon Estuary, Brazil.

    Science.gov (United States)

    Medeiros, Patricia Matheus; Bícego, Márcia Caruso; Castelao, Renato Menezes; Del Rosso, Clarissa; Fillmann, Gilberto; Zamboni, Ademilson Josemar

    2005-01-01

    The Patos Lagoon Estuary, southern Brazil, is an area of environmental interest not only because of tourism, but also because of the presence of the second major port of Brazil, with the related industrial and shipping activities. Thus, potential hydrocarbon pollution was examined in this study. Sediment samples were collected at 10 sites in the estuary, extracted, and analyzed by GC-FID and GC-MS for composition and concentration of the following organic geochemical markers: normal and isoprenoid alkanes, petroleum biomarkers, linear alkylbenzenes (LABs), and polycyclic aromatic hydrocarbons (PAHs). The total concentrations varied from 1.1 to 129.6 microg g(-1) for aliphatic hydrocarbons, from 17.8 to 4510.6 ng g(-1) for petroleum biomarkers, from 3.2 to 1601.9 ng g(-1) for LABs, and from 37.7 to 11,779.9 ng g(-1) for PAHs. Natural hydrocarbons were mainly derived from planktonic inputs due to a usual development of blooms in the estuary. Terrestrial plant wax compounds prevailed at sites located far from Rio Grande City and subject to stronger currents. Anthropogenic hydrocarbons are related to combustion/pyrolysis processes of fossil fuel, release of unburned oil products and domestic/industrial waste outfalls. Anthropogenic hydrocarbon inputs were more apparent at sites associated with industrial discharges (petroleum distributor and refinery), shipping activities (dry docking), and sewage outfalls (sewage). The overall concentrations of anthropogenic hydrocarbons revealed moderate to high hydrocarbon pollution in the study area.

  18. Microbial degradation of petroleum hydrocarbons.

    Science.gov (United States)

    Varjani, Sunita J

    2017-01-01

    Petroleum hydrocarbon pollutants are recalcitrant compounds and are classified as priority pollutants. Cleaning up of these pollutants from environment is a real world problem. Bioremediation has become a major method employed in restoration of petroleum hydrocarbon polluted environments that makes use of natural microbial biodegradation activity. Petroleum hydrocarbons utilizing microorganisms are ubiquitously distributed in environment. They naturally biodegrade pollutants and thereby remove them from the environment. Removal of petroleum hydrocarbon pollutants from environment by applying oleophilic microorganisms (individual isolate/consortium of microorganisms) is ecofriendly and economic. Microbial biodegradation of petroleum hydrocarbon pollutants employs the enzyme catalytic activities of microorganisms to enhance the rate of pollutants degradation. This article provides an overview about bioremediation for petroleum hydrocarbon pollutants. It also includes explanation about hydrocarbon metabolism in microorganisms with a special focus on new insights obtained during past couple of years. Copyright © 2016 Elsevier Ltd. All rights reserved.

  19. Comprehensive study of biodiesel fuel for HSDI engines in conventional and low temperature combustion conditions

    Energy Technology Data Exchange (ETDEWEB)

    Tormos, Bernardo; Novella, Ricardo; Garcia, Antonio; Gargar, Kevin [CMT-Motores Termicos, Universidad Politecnica de Valencia, Valencia, ES, Campus de Vera, s/n, Edificio 6D. Camino de Vera s/n, 46022 Valencia (Spain)

    2010-02-15

    In this research, an experimental investigation has been performed to give insight into the potential of biodiesel as an alternative fuel for High Speed Direct Injection (HSDI) diesel engines. The scope of this work has been broadened by comparing the combustion characteristics of diesel and biodiesel fuels in a wide range of engine loads and EGR conditions, including the high EGR rates expected for future diesel engines operating in the low temperature combustion (LTC) regime. The experimental work has been carried out in a single-cylinder engine running alternatively with diesel and biodiesel fuels. Conventional diesel fuel and neat biodiesel have been compared in terms of their combustion performance through a new methodology designed for isolating the actual effects of each fuel on diesel combustion, aside from their intrinsic differences in chemical composition. The analysis of the results has been sequentially divided into two progressive and complementary steps. Initially, the overall combustion performance of each fuel has been critically evaluated based on a set of parameters used as tracers of the combustion quality, such as the combustion duration or the indicated efficiency. With the knowledge obtained from this previous overview, the analysis focuses on the detailed influence of biodiesel on the different diesel combustion stages known ignition delay, premixed combustion and mixing controlled combustion, considering also the impact on CO and UHC (unburn-hydrocarbons) pollutant emissions. The results of this research explain why the biodiesel fuel accelerates the diesel combustion process in all engine loads and EGR rates, even in those corresponding with LTC conditions, increasing its possibilities as alternative fuel for future DI diesel engines. (author)

  20. Superconductivity in aromatic hydrocarbons

    Energy Technology Data Exchange (ETDEWEB)

    Kubozono, Yoshihiro, E-mail: kubozono@cc.okayama-u.ac.jp [Research Laboratory for Surface Science, Okayama University, Okayama 700-8530 (Japan); Research Center of New Functional Materials for Energy Production, Storage and Transport, Okayama University, Okayama 700-8530 (Japan); Japan Science and Technology Agency, ACT-C, Kawaguchi 332-0012 (Japan); Goto, Hidenori; Jabuchi, Taihei [Research Laboratory for Surface Science, Okayama University, Okayama 700-8530 (Japan); Yokoya, Takayoshi [Research Laboratory for Surface Science, Okayama University, Okayama 700-8530 (Japan); Research Center of New Functional Materials for Energy Production, Storage and Transport, Okayama University, Okayama 700-8530 (Japan); Kambe, Takashi [Department of Physics, Okayama University, Okayama 700-8530 (Japan); Sakai, Yusuke; Izumi, Masanari; Zheng, Lu; Hamao, Shino; Nguyen, Huyen L.T. [Research Laboratory for Surface Science, Okayama University, Okayama 700-8530 (Japan); Sakata, Masafumi; Kagayama, Tomoko; Shimizu, Katsuya [Center of Science and Technology under Extreme Conditions, Osaka University, Osaka 560-8531 (Japan)

    2015-07-15

    Highlights: • Aromatic superconductor is one of core research subjects in superconductivity. Superconductivity is observed in certain metal-doped aromatic hydrocarbons. Some serious problems to be solved exist for future advancement of the research. This article shows the present status of aromatic superconductors. - Abstract: ‘Aromatic hydrocarbon’ implies an organic molecule that satisfies the (4n + 2) π-electron rule and consists of benzene rings. Doping solid aromatic hydrocarbons with metals provides the superconductivity. The first discovery of such superconductivity was made for K-doped picene (K{sub x}picene, five benzene rings). Its superconducting transition temperatures (T{sub c}’s) were 7 and 18 K. Recently, we found a new superconducting K{sub x}picene phase with a T{sub c} as high as 14 K, so we now know that K{sub x}picene possesses multiple superconducting phases. Besides K{sub x}picene, we discovered new superconductors such as Rb{sub x}picene and Ca{sub x}picene. A most serious problem is that the shielding fraction is ⩽15% for K{sub x}picene and Rb{sub x}picene, and it is often ∼1% for other superconductors. Such low shielding fractions have made it difficult to determine the crystal structures of superconducting phases. Nevertheless, many research groups have expended a great deal of effort to make high quality hydrocarbon superconductors in the five years since the discovery of hydrocarbon superconductivity. At the present stage, superconductivity is observed in certain metal-doped aromatic hydrocarbons (picene, phenanthrene and dibenzopentacene), but the shielding fraction remains stubbornly low. The highest priority research area is to prepare aromatic superconductors with a high superconducting volume-fraction. Despite these difficulties, aromatic superconductivity is still a core research target and presents interesting and potentially breakthrough challenges, such as the positive pressure dependence of T{sub c} that is clearly

  1. Time Resolved FTIR Analysis of Combustion of Ethanol and Gasoline Combustion in AN Internal Combustion Engine

    Science.gov (United States)

    White, Allen R.; Sakai, Stephen; Devasher, Rebecca B.

    2011-06-01

    In order to pursue In Situ measurements in an internal combustion engine, a MegaTech Mark III transparent spark ignition engine was modified with a sapphire combustion chamber. This modification will allow the transmission of infrared radiation for time-resolved spectroscopic measurements by an infrared spectrometer. By using a Step-scan equipped Fourier transform spectrometer, temporally resolved infrared spectral data were acquired and compared for combustion in the modified Mark III engine. Measurements performed with the FTIR system provide insight into the energy transfer vectors that precede combustion and also provides an in situ measurement of the progress of combustion. Measurements were performed using ethanol and gasoline.

  2. Experimental chemical thermodynamics. Volume I. Combustion calorimetry

    Energy Technology Data Exchange (ETDEWEB)

    Sunner, S.; Mansson, M. (eds.)

    1979-01-01

    This book contains 18 chapters. The information included is: units and physical constants; basic principles of combustion calorimetry; calibration of combustion calorimeters; test and auxiliary substances in combustion calorimetry; strategies in the calculation of standard-state energies of combustion from the experimentally determined quantities; assignments of uncertainties; presentation of combustion calorimetric data in the primary literature; general techniques for combustion of liquid/solid organic compounds by oxygen bomb calorimetry; combustion of liquid/solid organic compounds with non-metallic hetero-atoms; combustion calorimetry of metals and simple metallic compounds; combustion calorimetry of organometallic compounds; combustion in fluorine and other halogens; bomb combustion of gaseous compounds in oxygen; oxygen flame calorimetry; fluorine flame calorimetry; combustion calorimetry as a technological service; trends in combustion calorimetry; and from the history of combustion calorimetry. (DP)

  3. THE ADVANCED CHEMISTRY BASINS PROJECT

    Energy Technology Data Exchange (ETDEWEB)

    William Goddard; Peter Meulbroek; Yongchun Tang; Lawrence Cathles III

    2004-04-05

    In the next decades, oil exploration by majors and independents will increasingly be in remote, inaccessible areas, or in areas where there has been extensive shallow exploration but deeper exploration potential may remain; areas where the collection of data is expensive, difficult, or even impossible, and where the most efficient use of existing data can drive the economics of the target. The ability to read hydrocarbon chemistry in terms of subsurface migration processes by relating it to the evolution of the basin and fluid migration is perhaps the single technological capability that could most improve our ability to explore effectively because it would allow us to use a vast store of existing or easily collected chemical data to determine the major migration pathways in a basin and to determine if there is deep exploration potential. To this end a the DOE funded a joint effort between California Institute of Technology, Cornell University, and GeoGroup Inc. to assemble a representative set of maturity and maturation kinetic models and develop an advanced basin model able to predict the chemistry of hydrocarbons in a basin from this input data. The four year project is now completed and has produced set of public domain maturity indicator and maturation kinetic data set, an oil chemistry and flash calculation tool operable under Excel, and a user friendly, graphically intuitive basin model that uses this data and flash tool, operates on a PC, and simulates hydrocarbon generation and migration and the chemical changes that can occur during migration (such as phase separation and gas washing). The DOE Advanced Chemistry Basin Model includes a number of new methods that represent advances over current technology. The model is built around the concept of handling arbitrarily detailed chemical composition of fluids in a robust finite-element 2-D grid. There are three themes on which the model focuses: chemical kinetic and equilibrium reaction parameters, chemical

  4. Computational chemistry

    Science.gov (United States)

    Arnold, J. O.

    1987-01-01

    With the advent of supercomputers, modern computational chemistry algorithms and codes, a powerful tool was created to help fill NASA's continuing need for information on the properties of matter in hostile or unusual environments. Computational resources provided under the National Aerodynamics Simulator (NAS) program were a cornerstone for recent advancements in this field. Properties of gases, materials, and their interactions can be determined from solutions of the governing equations. In the case of gases, for example, radiative transition probabilites per particle, bond-dissociation energies, and rates of simple chemical reactions can be determined computationally as reliably as from experiment. The data are proving to be quite valuable in providing inputs to real-gas flow simulation codes used to compute aerothermodynamic loads on NASA's aeroassist orbital transfer vehicles and a host of problems related to the National Aerospace Plane Program. Although more approximate, similar solutions can be obtained for ensembles of atoms simulating small particles of materials with and without the presence of gases. Computational chemistry has application in studying catalysis, properties of polymers, all of interest to various NASA missions, including those previously mentioned. In addition to discussing these applications of computational chemistry within NASA, the governing equations and the need for supercomputers for their solution is outlined.

  5. Characterisation of ashes produced by co-combustion of recovered fuels and peat

    Energy Technology Data Exchange (ETDEWEB)

    Frankenhaeuser, M. [Borealis Polymers Oy, Porvoo (Finland)

    1997-10-01

    The current project focuses on eventual changes in ash characteristics during co-combustion of refuse derived fuel with coal, peat, wood or bark, which could lead to slagging, fouling and corrosion in the boiler. Ashes were produced at fluidised bed (FB) combustion conditions in the 15 kW reactor at VTT Energy, Jyvaeskylae, the fly ash captured by the cyclone was further analysed by XRF at Outokumpu Geotechnical Laboratory, Outokumpu. The sintering behaviour of these ashes was investigated using a test procedure developed at the Combustion Chemistry Research Group at Aabo Akademi University. The current extended programme includes a Danish refuse-derived fuel (RDF), co-combusted with bark/coal (5 tests) and wood/coal (2 tests), a RF from Jyvaskyla (2 tests with peat/coal) and de-inking sludges co- combusted at full-scale with wood waste or paper mill sludge (4 ashes provided by IVO Power). Ash pellets were thermally treated in nitrogen in order to avoid residual carbon combustion. The results obtained show no sintering tendencies below 600 deg C, significant changes in sintering are seen with pellets treated at 1000 deg C. Ash from 100 % RDF combustion does not sinter, 25 % RDF co-combustion with wood and peat, respectively, gives an insignificant effect. The most severe sintering occurs during co-combustion of RDF with bark. Contrary to the earlier hypothesis a 25 % coal addition seems to have a negative effect on all fuel blends. Analysis of the sintering results versus ash chemical composition shows, that (again), in general, an increased level of alkali chlorides and sulphates gives increased sintering. Finally, some results on sintering tendency measurements on ashes from full-scale CFB co-combustion of deinking sludge with wood waste and paper mill sludge are given. This shows that these ashes show very little, if any, sintering tendency, which can be explained from ash chemistry

  6. Aerosols from biomass combustion

    Energy Technology Data Exchange (ETDEWEB)

    Nussbaumer, T.

    2001-07-01

    This report is the proceedings of a seminar on biomass combustion and aerosol production organised jointly by the International Energy Agency's (IEA) Task 32 on bio energy and the Swiss Federal Office of Energy (SFOE). This collection of 16 papers discusses the production of aerosols and fine particles by the burning of biomass and their effects. Expert knowledge on the environmental impact of aerosols, formation mechanisms, measurement technologies, methods of analysis and measures to be taken to reduce such emissions is presented. The seminar, visited by 50 participants from 11 countries, shows, according to the authors, that the reduction of aerosol emissions resulting from biomass combustion will remain a challenge for the future.

  7. Membrane separation of hydrocarbons

    Science.gov (United States)

    Chang, Y. Alice; Kulkarni, Sudhir S.; Funk, Edward W.

    1986-01-01

    Mixtures of heavy oils and light hydrocarbons may be separated by passing the mixture through a polymeric membrane. The membrane which is utilized to effect the separation comprises a polymer which is capable of maintaining its integrity in the presence of hydrocarbon compounds and which has been modified by being subjected to the action of a sulfonating agent. Sulfonating agents which may be employed will include fuming sulfuric acid, chlorosulfonic acid, sulfur trioxide, etc., the surface or bulk modified polymer will contain a degree of sulfonation ranging from about 15 to about 50%. The separation process is effected at temperatures ranging from about ambient to about 100.degree. C. and pressures ranging from about 50 to about 1000 psig.

  8. Combustion science and engineering

    CERN Document Server

    Annamalai, Kalyan

    2006-01-01

    Introduction and Review of Thermodynamics Introduction Combustion Terminology Matter and Its Properties Microscopic Overview of Thermodynamics Conservation of Mass and Energy and the First Law of Thermodynamics The Second Law of Thermodynamics Summary Stoichiometry and Thermochemistry of Reacting Systems Introduction Overall Reactions Gas Analyses Global Conservation Equations for Reacting Systems Thermochemistry Summary Appendix Reaction Direction and Equilibrium Introduction Reaction Direction and Chemical Equilibrium Chemical Equilibrium Relations Vant Hoff Equation Adi

  9. Combustion Characteristics of Sprays

    Science.gov (United States)

    1989-08-01

    regarded by implication or otherwise, or in any way licensing the holder or any other person or corporation, or conveying any rights or permission to...00 _’N 1. TI TLE inctuat Security CZaaafication5 Combustion Characteristics of Sprays 12. PERSONAL AUTHOR(S) Sohrab, Siavash H. 13& TYPE OF REPORT...to ?!HF of rich butane/air 3unsen flames. .lso, the rotacion speed and :he oerodic temDeracure fluc:uations of rotacfng ?HF are examined. :’!naily

  10. Combustible Cartridge Case Characterization

    Science.gov (United States)

    1984-02-01

    University (NYU) has resulted in the selection of two cross-linked melamine / formaldehyde acrylic styrene resin systems that can be used in the beater additive... melamine resin Akaradit II stabilizer 20. ABSTRACT (con) Test coupons of combustible cartridge case material were fabricated using these recommended...and agitated for 30 min before the pH was slowly lowered to 3 with p-toluene sulfonic acid. In order to maintain this pH in the felting tank, it was

  11. Application of Fourier-transform infrared (FT-ir) spectroscopy to in-situ studies of coal combustion

    Energy Technology Data Exchange (ETDEWEB)

    Ottesen, D K; Thorne, L R

    1982-04-01

    The feasibility of using Fourier-transform infrared (FT-ir) spectroscopy for in situ measurement of gas phase species concentrations and temperature during coal combustion is examined. This technique is evaluated in terms of its potential ability to monitor several important chemical and physical processes which occur in pulverized coal combustion. FT-ir absorption measurements of highly sooting, gaseous hydrocarbon/air flames are presented to demonstrate the fundamental usefulness of the technique for in situ detection of gas phase temperatures and species concentrations in high temperature combustion environments containing coal, char, mineral matter and soot particles. Preliminary results for coal/gaseous fuel/air flames are given.

  12. Direct hydrocarbon fuel cells

    Science.gov (United States)

    Barnett, Scott A.; Lai, Tammy; Liu, Jiang

    2010-05-04

    The direct electrochemical oxidation of hydrocarbons in solid oxide fuel cells, to generate greater power densities at lower temperatures without carbon deposition. The performance obtained is comparable to that of fuel cells used for hydrogen, and is achieved by using novel anode composites at low operating temperatures. Such solid oxide fuel cells, regardless of fuel source or operation, can be configured advantageously using the structural geometries of this invention.

  13. Internal combustion engine using premixed combustion of stratified charges

    Science.gov (United States)

    Marriott, Craig D.; Reitz, Rolf D. (Madison, WI

    2003-12-30

    During a combustion cycle, a first stoichiometrically lean fuel charge is injected well prior to top dead center, preferably during the intake stroke. This first fuel charge is substantially mixed with the combustion chamber air during subsequent motion of the piston towards top dead center. A subsequent fuel charge is then injected prior to top dead center to create a stratified, locally richer mixture (but still leaner than stoichiometric) within the combustion chamber. The locally rich region within the combustion chamber has sufficient fuel density to autoignite, and its self-ignition serves to activate ignition for the lean mixture existing within the remainder of the combustion chamber. Because the mixture within the combustion chamber is overall premixed and relatively lean, NO.sub.x and soot production are significantly diminished.

  14. The Diesel Combustion Collaboratory: Combustion Researchers Collaborating over the Internet

    Energy Technology Data Exchange (ETDEWEB)

    C. M. Pancerella; L. A. Rahn; C. Yang

    2000-02-01

    The Diesel Combustion Collaborator (DCC) is a pilot project to develop and deploy collaborative technologies to combustion researchers distributed throughout the DOE national laboratories, academia, and industry. The result is a problem-solving environment for combustion research. Researchers collaborate over the Internet using DCC tools, which include: a distributed execution management system for running combustion models on widely distributed computers, including supercomputers; web-accessible data archiving capabilities for sharing graphical experimental or modeling data; electronic notebooks and shared workspaces for facilitating collaboration; visualization of combustion data; and video-conferencing and data-conferencing among researchers at remote sites. Security is a key aspect of the collaborative tools. In many cases, the authors have integrated these tools to allow data, including large combustion data sets, to flow seamlessly, for example, from modeling tools to data archives. In this paper the authors describe the work of a larger collaborative effort to design, implement and deploy the DCC.

  15. Catalytic combustion over high temperature stable metal oxides

    Energy Technology Data Exchange (ETDEWEB)

    Berg, M. [TPS Termiska Processer AB, Nykoeping (Sweden)

    1996-12-31

    This thesis presents a study of the catalytic effects of two interesting high temperature stable metal oxides - magnesium oxide and manganese substituted barium hexa-aluminate (BMA) - both of which can be used in the development of new monolithic catalysts for such applications. In the first part of the thesis, the development of catalytic combustion for gas turbine applications is reviewed, with special attention to alternative fuels such as low-BTU gas, e.g. produced in an air blown gasifier. When catalytic combustion is applied for such a fuel, the primary advantage is the possibility of decreasing the conversion of fuel nitrogen to NO{sub x}, and achieving flame stability. In the experimental work, MgO was shown to have a significant activity for the catalytic combustion of methane, lowering the temperature needed to achieve 10 percent conversion by 270 deg C compared with homogeneous combustion.The reaction kinetics for methane combustion over MgO was also studied. It was shown that the heterogeneous catalytic reactions were dominant but that the catalytically initiated homogeneous gas phase reactions were also important, specially at high temperatures. MgO and BMA were compared. The latter showed a higher catalytic activity, even when the differences in activity decreased with increasing calcination temperature. For BMA, CO{sub 2} was the only product detected, but for MgO significant amounts of CO and C{sub 2}-hydrocarbons were formed. BMA needed a much lower temperature to achieve total conversion of other fuels, e.g. CO and hydrogen, compared to the temperature for total conversion of methane. This shows that BMA-like catalysts are interesting for combustion of fuel mixtures with high CO and H{sub 2} content, e.g. gas produced from gasification of biomass. 74 refs

  16. Internal combustion piston engines

    Energy Technology Data Exchange (ETDEWEB)

    Segaser, C.L.

    1977-07-01

    Current worldwide production of internal combustion piston engines includes many diversified types of designs and a very broad range of sizes. Engine sizes range from a few horsepower in small mobile units to over 40,000 brake horsepower in large stationary and marine units. The key characteristics of internal combustion piston engines considered appropriate for use as prime movers in Integrated Community Energy Systems (ICES) are evaluated. The categories of engines considered include spark-ignition gas engines, compression-ignition oil (diesel) engines, and dual-fuel engines. The engines are evaluated with respect to full-load and part-load performance characteristics, reliability, environmental concerns, estimated 1976 cost data, and current and future status of development. The largest internal combustion piston engines manufactured in the United States range up to 13,540 rated brake horsepower. Future development efforts are anticipated to result in a 20 to 25% increase in brake horsepower without increase in or loss of weight, economy, reliability, or life expectancy, predicated on a simple extension of current development trends.

  17. Issues in waste combustion

    Energy Technology Data Exchange (ETDEWEB)

    Gustavsson, Lennart; Robertson, Kerstin; Tullin, Claes [Swedish National Testing and Research Inst., Boraas (Sweden); Sundquist, Lena; Wrangensten, Lars [AaF-Energikonsult AB, Stockholm (Sweden); Blom, Elisabet [AaF-Processdesign AB, Stockholm (Sweden)

    2003-05-01

    The main purpose of this review is to provide an overview of the state-of-the-art on research and development issues related to waste combustion with relevance for Swedish conditions. The review focuses on co-combustion in grate and fluidised bed furnaces. It is primarily literature searches in relevant databases of scientific publications with to material published after 1995. As a complement, findings published in different report series, have also been included. Since the area covered by this report is very wide, we do not claim to cover the issues included completely and it has not been possitile to evaluate the referred studies in depth. Basic knowledge about combustion issues is not included since such information can be found elsewhere in the literature. Rather, this review should be viewed as an overview of research and development in the waste-to-energy area and as such we hope that it will inspire scientists and others to further work in relevant areas.

  18. Quantitative Thermochemical Measurements in High-Pressure Gaseous Combustion

    Science.gov (United States)

    Kojima, Jun J.; Fischer, David G.

    2012-01-01

    We present our strategic experiment and thermochemical analyses on combustion flow using a subframe burst gating (SBG) Raman spectroscopy. This unconventional laser diagnostic technique has promising ability to enhance accuracy of the quantitative scalar measurements in a point-wise single-shot fashion. In the presentation, we briefly describe an experimental methodology that generates transferable calibration standard for the routine implementation of the diagnostics in hydrocarbon flames. The diagnostic technology was applied to simultaneous measurements of temperature and chemical species in a swirl-stabilized turbulent flame with gaseous methane fuel at elevated pressure (17 atm). Statistical analyses of the space-/time-resolved thermochemical data provide insights into the nature of the mixing process and it impact on the subsequent combustion process in the model combustor.

  19. Influence on emissions from fluctuations in combustion conditions

    Energy Technology Data Exchange (ETDEWEB)

    Malmgren, A.; Zethraeus, B. [TPS Termiska Processer AB, Studsvik (Sweden)

    1998-12-31

    Two theoretical methods for calculation of how fluctuating and inhomogeneous conditions in a combustion chamber affect emissions of CO, hydrocarbons, NO{sub x} and soot were investigated. The first method is based on a statistical treatment of frequency and amplitude of deviations from the mean values. The changes in these deviations when they are propagated through the combustion system are treated analogously to electrical signals passing a number of low-pass filters. The second method is based on kinetic calculations of a low number of laminar gas streams where mixing between the streams only occurs at specified positions. The fuels used were birch logs and methane. 14 refs., 8 figs., 2 tabs.

  20. Theoretical chemistry periodicities in chemistry and biology

    CERN Document Server

    Eyring, Henry

    1978-01-01

    Theoretical Chemistry: Periodicities in Chemistry and Biology, Volume 4 covers the aspects of theoretical chemistry. The book discusses the stably rotating patterns of reaction and diffusion; the chemistry of inorganic systems exhibiting nonmonotonic behavior; and population cycles. The text also describes the mathematical modeling of excitable media in neurobiology and chemistry; oscillating enzyme reactions; and oscillatory properties and excitability of the heart cell membrane. Selected topics from the theory of physico-chemical instabilities are also encompassed. Chemists, mechanical engin

  1. Development of flameless combustion; Desarrollo de la combustion sin flama

    Energy Technology Data Exchange (ETDEWEB)

    Flores Sauceda, M. Leonardo; Cervantes de Gortari, Jaime Gonzalo [Universidad Nacional Autonoma de Mexico, Mexico, D.F. (Mexico)]. E-mail: 8344afc@prodigy.net.mx; jgonzalo@servidor.unam.mx

    2010-11-15

    The paper intends contribute to global warming mitigation joint effort that develops technologies to capture the CO{sub 2} produced by fossil fuels combustion and to reduce emission of other greenhouse gases like the NO{sub x}. After reviewing existing combustion bibliography is pointed out that (a) touches only partial aspects of the collective system composed by Combustion-Heat transfer process-Environment, whose interactions are our primary interest and (b) most specialists think there is not yet a clearly winning technology for CO{sub 2} capture and storage. In this paper the study of combustion is focused as integrated in the aforementioned collective system where application of flameless combustion, using oxidant preheated in heat regenerators and fluent gas recirculation into combustion chamber plus appropriated heat and mass balances, simultaneously results in energy saving and environmental impact reduction. [Spanish] El trabajo pretende contribuir al esfuerzo conjunto de mitigacion del calentamiento global que aporta tecnologias para capturar el CO{sub 2} producido por la combustion de combustibles fosiles y para disminuir la emision de otros gases invernadero como NOx. De revision bibliografica sobre combustion se concluye que (a) trata aspectos parciales del sistema compuesto por combustion-proceso de trasferencia de calor-ambiente, cuyas interacciones son nuestro principal interes (b) la mayoria de especialistas considera no hay todavia una tecnologia claramente superior a las demas para captura y almacenaje de CO{sub 2}. Se estudia la combustion como parte integrante del mencionado sistema conjunto, donde la aplicacion de combustion sin flama, empleando oxidante precalentado mediante regeneradores de calor y recirculacion de gases efluentes ademas de los balances de masa y energia adecuados, permite tener simultaneamente ahorros energeticos e impacto ambiental reducido.

  2. CFD simulation of gas and particles combustion in biomass furnaces

    Energy Technology Data Exchange (ETDEWEB)

    Griselin, Nicolas

    2000-11-01

    In this thesis, gas and particle combustion in biomass furnaces is investigated numerically. The aim of this thesis is to use Computational Fluid Dynamics (CFD) technology as an effective computer based simulation tool to study and develop the combustion processes in biomass furnaces. A detailed model for the numerical simulation of biomass combustion in a furnace, including fixed-bed modeling, gas-phase calculation (species distribution, temperature field, flow field) and gas-solid two-phase interaction for flying burning particles is presented. This model is used to understand the mechanisms of combustion and pollutant emissions under different conditions in small scale and large scale furnaces. The code used in the computations was developed at the Division of Fluid Mechanics, LTH. The flow field in the combustion enclosure is calculated by solving the Favre-averaged Navier-Stokes equations, with standard {kappa} - {epsilon} turbulence closure, together with the energy conservation equation and species transport equations. Discrete transfer method is used for calculating the radiation source term in the energy conservation equation. Finite difference is used to solve the general form of the equation yielding solutions for gas-phase temperatures, velocities, turbulence intensities and species concentrations. The code has been extended through this work in order to include two-phase flow simulation of particles and gas combustion. The Favre-averaged gas equations are solved in a Eulerian framework while the submodels for particle motion and combustion are used in the framework of a Lagrangian approach. Numerical simulations and measurement data of unburned hydrocarbons (UHC), CO, H{sub 2}, O{sub 2} and temperature on the top of the fixed bed are used to model the amount of tar and char formed during pyrolysis and combustion of biomass fuel in the bed. Different operating conditions are examined. Numerical calculations are compared with the measured data. It is

  3. Modelling combustion reactions for gas flaring and its resulting emissions

    Directory of Open Access Journals (Sweden)

    O. Saheed Ismail

    2016-07-01

    Full Text Available Flaring of associated petroleum gas is an age long environmental concern which remains unabated. Flaring of gas maybe a very efficient combustion process especially steam/air assisted flare and more economical than utilization in some oil fields. However, it has serious implications for the environment. This study considered different reaction types and operating conditions for gas flaring. Six combustion equations were generated using the mass balance concept with varying air and combustion efficiency. These equations were coded with a computer program using 12 natural gas samples of different chemical composition and origin to predict the pattern of emission species from gas flaring. The effect of key parameters on the emission output is also shown. CO2, CO, NO, NO2 and SO2 are the anticipated non-hydrocarbon emissions of environmental concern. Results show that the quantity and pattern of these chemical species depended on percentage excess/deficiency of stoichiometric air, natural gas type, reaction type, carbon mass content, impurities, combustion efficiency of the flare system etc. These emissions degrade the environment and human life, so knowing the emission types, pattern and flaring conditions that this study predicts is of paramount importance to governments, environmental agencies and the oil and gas industry.

  4. Heavy Lift Launch Capability with a New Hydrocarbon Engine

    Science.gov (United States)

    Threet, Grady E., Jr.; Holt, James B.; Philips, Alan D.; Garcia, Jessica A.

    2011-01-01

    The Advanced Concepts Office at NASA's George C. Marshall Space Flight Center was tasked to define the thrust requirement of a new liquid oxygen rich staged combustion cycle hydrocarbon engine that could be utilized in a launch vehicle to meet NASA s future heavy lift needs. Launch vehicle concepts were sized using this engine for different heavy lift payload classes. Engine out capabilities for one of the heavy lift configurations were also analyzed for increased reliability that may be desired for high value payloads or crewed missions. The applicability for this engine in vehicle concepts to meet military and commercial class payloads comparable to current ELV capability was also evaluated.

  5. Combustion of agro-waste with coal in a fluidized bed

    Energy Technology Data Exchange (ETDEWEB)

    Atimtay, Aysel T. [Middle East Technical University, Department of Environmental Engineering, Ankara (Turkey)

    2010-02-15

    In this study, a review of the studies done on the co-combustion of some agro-waste in a bubbling fluidized bed combustor (BFBC) having an inside diameter of 102 mm and a height of 900 mm is given. The agro-waste used to investigate the co-combustion characteristics were peach and apricot stones produced as a waste from the fruit juice industry, and olive cake produced as a waste from the olive oil industry. These are typical wastes for a Mediterranean country. A lignite coal was used for co-combustion. On-line concentrations of O{sub 2}, CO, CO{sub 2}, SO{sub 2}, NO{sub x} and total hydrocarbons (C{sub m} H{sub n}) were measured in the flue gas during combustion experiments. Variations of emissions of various pollutants were studied by changing the operating parameters (excess air ratio, fluidization velocity and fuel feed rate). Temperature distribution along the bed was measured with thermocouples. Emissions were also monitored from the exhaust. Various combinations of coal and biomass mixtures were tested. During the combustion tests, it was observed that the volatile matter from the biomass quickly volatilizes and mostly burns in the freeboard. The temperature profiles along the bed and the freeboard also confirmed this phenomenon. It was found that as the volatile matter of the biomass increases, combustion takes place more in the freeboard region. Better combustion conditions occur at higher excess air ratios. The results showed that co-combustion with these three proposed biomasses lowers the SO{sub 2} and NO{sub x} emissions considerably. CO and hydrocarbon emissions are lower at the higher excess air ratios. (orig.)

  6. Laser Diagnostics Study of Plasma Assisted Combustion for Scramjet Applications

    Science.gov (United States)

    2011-12-01

    treatment of the fuel or reactants into hydrogen rich syngas prior to thermal oxidation [11-12], enhanced ignition of hydrocarbon fuels [9,13-14...dramatically, and a significant rise of OH in the post combustion gas region is evident. It is 532 nm Power Supply N d: YA G L as er Dye Laser...plasma, ne~1014-1015 cm-3). The power supply is a 2 kW magnetron (2.45 GHz), although no more than 40 W seems to be required for most test conditions due

  7. Theoretical studies of nonadiabatic and spin-forbidden processes: Investigations of the reactions and spectroscopy of radical species relevant to combustion reactions and diagnostics

    Energy Technology Data Exchange (ETDEWEB)

    Yarkony, D.R. [Johns Hopkins Univ., Baltimore, MD (United States)

    1993-12-01

    This research program focusses on studies of spin-forbidden and electronically nonadiabatic processes involving radical species relevant to combustion reactions and combustion diagnostics. To study the electronic structure aspects of these processes a unique and powerful system of electronic structure programs, developed over the past nine years, the BROOKLYN codes, is employed. These programs enable the authors to address questions basic to the understanding of elementary combustion processes not tractable using more standard quantum chemistry codes.

  8. Chemistry of Mercury Species and Their Control in Coal Combustion

    Energy Technology Data Exchange (ETDEWEB)

    None

    1998-02-28

    Silica aggregates produced in a tubular aerosol reactor were classified according to the electrical mobility equivalent radius by differential mobility analyzer. Then E the classified aerosol was further analyzed by in situ light scattering measurement and TEM micrograph analysis to evaluate the properties of agglomerates, such as the radius of gyration, fractal dimension, primary particle diameter and number of primary particles. Based on the properties measured by the experiments, the actual surface area of the silica sorbent particles can be calculated.

  9. Ammonia chemistry in oxy-fuel combustion of methane

    DEFF Research Database (Denmark)

    Mendiara, Teresa; Glarborg, Peter

    2009-01-01

    concentrations and alteration in the amount and partitioning of O/H radicals, rather than direct reactions between N-radicals and CO2, are responsible for the effect of a high CO2 concentration on ammonia conversion. When CO2 is present as a bulk gas, formation of NO is facilitated by the increased OH/H ratio...

  10. Flame Dynamics and Chemistry in LRE Combustion Instability

    Science.gov (United States)

    2016-12-22

    autoignitive DME /air coflow flames were investigated. Computations were performed at 30 atmospheres with uniform inlet velocities of 3.2 m/s for both...frozen flow, kinetically stabilized, autoignition–propagation-coupled stabilized, kinematically stabilized, and burner stabilized regimes. This work is...reported in Publication #1: “Autoignition-affected stabilization of laminar nonpremixed DME /air coflow flames,” by Sili Deng, Peng Zhao, Michael E

  11. Studies of the Combustion Process with Simultaneous Formaldehyde and OH PLIF in a Direct-Injected HCCI Engine

    Science.gov (United States)

    Richter, Mattias; Collin, Robert; Nygren, Jenny; Aldén, Marcus; Hildingsson, Leif; Johansson, Bengt

    This paper presents simultaneous laser based measurements of formaldehyde and OH-radical distributions in a 0.5 liter optical HCCI engine with direct injection. Formaldehyde is formed as an intermediate species when combusting hydrocarbons. The formation occurs through low temperature reactions in an early phase of the combustion process. Later in the process formaldehyde is being consumed. Formaldehyde is, therefore, used as indicator of the first stage of combustion and a marker of zones with low-temperature reactions. The OH radical is formed as an intermediate during the high temperature reactions, and is used as a marker of zones where the combustion is ongoing. The purpose of the investigation was to study how the combustion process is affected by the change in homogeneity that arises from early and late injection, respectively. The measurement technique used was planar laser-induced fluorescence where formaldehyde was excited at 355nm and OH at 283nm.

  12. Post combustion in converter steelmaking

    Energy Technology Data Exchange (ETDEWEB)

    Oghbasilasie, H.; Holappa, L.

    1997-12-31

    The purpose of this work is to study the fundamentals of post combustion and the effect of different process parameters on the post combustion ratio (PCR) and heat transfer efficiency (HTE) in converter steelmaking process. The PCR and HTE have been determined under normal operating conditions. Trials assessed the effect of lance height, vessel volume, foaming slag and pellet additions on PCR and HTE. Based on enthalpy considerations, post combustion of CO gas is regarded as one of the most effective means of increasing the heat supply to the BOP. The thermodynamic study of gas-metal-slag reactions gives the limiting conditions for post combustion inside the converter reactor. Different process parameters influencing both thermodynamic equilibria and kinetic conditions can greatly affect the post combustion ratio. Different features of converter processes as well smelting reduction processes utilizing post combustion have been reviewed. (orig.) SULA 2 Research Programme; 26 refs.

  13. Surface chemistry

    CERN Document Server

    Desai, KR

    2008-01-01

    The surface Chemistry of a material as a whole is crucially dependent upon the Nature and type of surfaces exposed on crystallites. It is therefore vitally important to independently Study different, well - defined surfaces through surface analytical techniques. In addition to composition and structure of surface, the subject also provides information on dynamic light scattering, micro emulsions, colloid Stability control and nanostructures. The present book endeavour to bring before the reader that the understanding and exploitation of Solid state phenomena depended largely on the ability to

  14. Computational Chemistry and Lubrication

    Science.gov (United States)

    Zehe, Michael J.

    1998-01-01

    Members of NASA Lewis Research Center's Tribology and Surface Science Branch are applying high-level computational chemistry techniques to the development of new lubrication systems for space applications and for future advanced aircraft engines. The next generation of gas turbine engines will require a liquid lubricant to function at temperatures in excess of 350 C in oxidizing environments. Conventional hydrocarbon-based lubricants are incapable of operating in these extreme environments, but a class of compounds known as the perfluoropolyether (PFAE) liquids (see the preceding illustration) shows promise for such applications. These commercially available products are already being used as lubricants in conditions where low vapor pressure and chemical stability are crucial, such as in satellite bearings and composite disk platters. At higher temperatures, however, these compounds undergo a decomposition process that is assisted (catalyzed) by metal and metal oxide bearing surfaces. This decomposition process severely limits the applicability of PFAE's at higher temperatures. A great deal of laboratory experimentation has revealed that the extent of fluid degradation depends on the chemical properties of the bearing surface materials. Lubrication engineers would like to understand the chemical breakdown mechanism to design a less vulnerable PFAE or to develop a chemical additive to block this degradation.

  15. Hydrogen Abstraction from Hydrocarbons by NH2.

    Science.gov (United States)

    Siddique, Kamal; Altarawneh, Mohammednoor; Gore, Jeff; Westmoreland, Phillip R; Dlugogorski, Bogdan Z

    2017-03-23

    This contribution investigates thermokinetic parameters of bimolecular gas-phase reactions involving the amine (NH2) radical and a large number of saturated and unsaturated hydrocarbons. These reactions play an important role in combustion and pyrolysis of nitrogen-rich fuels, most notably biomass. Computations performed at the CBS-QB3 level and based on the conventional transition-state theory yield potential-energy surfaces and reaction rate constants, accounting for tunnelling effects and the presence of hindered rotors. In an analogy to other H abstraction systems, we demonstrate only a small influence of variational effects on the rate constants for selected reaction. The studied reactions cover the abstraction of hydrogen atoms by the NH2 radical from the C-H bonds in C1-C4 species, and four C5 hydrocarbons of 2-methylbutane, 2-methyl-1-butene, 3-methyl-1-butene, 3-methyl-2-butene, and 3-methyl-1-butyne. For the abstraction of H from methane, in the temperature windows 300-500 and 1600-2000 K, the calculated reaction rate constants concur with the available experimental measurements, i.e., kcalculated/kexperimetal = 0.3-2.5 and 1.1-1.4, and the previous theoretical estimates. Abstraction of H atom from ethane attains the ratio of kcalculated/kexperimetal equal to 0.10-1.2 and 1.3-1.5 over the temperature windows of available experimental measurements, i.e., 300-900 K and 1500-2000 K, respectively. For the remaining alkanes (propane and n-butane), the average kexperimental/kcalculated ratio remains 2.6 and 1.3 over the temperature range of experimental data. Also, comparing the calculated standard enthalpy of reaction (ΔrH°298) with the available experimental measurements for alkanes, we found the mean unsigned error of computations as 3.7 kJ mol(-1). This agreement provides an accuracy benchmark of our methodology, affording the estimation of the unreported kinetic parameters for H abstractions from alkenes and alkynes. On the basis of the Evans

  16. DNS of High Pressure Supercritical Combustion

    Science.gov (United States)

    Chong, Shao Teng; Raman, Venkatramanan

    2016-11-01

    Supercritical flows have always been important to rocket motors, and more recently to aircraft engines and stationary gas turbines. The purpose of the present study is to understand effects of differential diffusion on reacting scalars using supercritical isotropic turbulence. Focus is on fuel and oxidant reacting in the transcritical region where density, heat capacity and transport properties are highly sensitive to variations in temperature and pressure. Reynolds and Damkohler number vary as a result and although it is common to neglect differential diffusion effects if Re is sufficiently large, this large variation in temperature with heat release can accentuate molecular transport differences. Direct numerical simulations (DNS) for one step chemistry reaction between fuel and oxidizer are used to examine the differential diffusion effects. A key issue investigated in this paper is if the flamelet progress variable approach, where the Lewis number is usually assumed to be unity and constant for all species, can be accurately applied to simulate supercritical combustion.

  17. Structural Evolution of Interstellar Polycyclic Aromatic Hydrocarbons

    Science.gov (United States)

    Hammonds, Mark; Candian, Alessandra; Mori, Tamami; Usui, Fumihiko; Onaka, Takashi

    2015-08-01

    Polycyclic Aromatic Hydrocarbons (PAHs) are an important reservoir for molecular carbon in the interstellar medium (ISM), and investigations into their chemistry and behaviour may be important to the understanding of how carbon is processed from simple forms into complex prebiotic molecules such as those detected in chondritic meteorites. In this study, infrared astronomical data from AKARI and other observatories are used together with laboratory and theoretical data to study variations in the structure of emitting PAHs in interstellar environments using spectroscopic decomposition techniques and bands arising from carbon-hydrogen bond vibrations at wavelengths from 3 - 14 microns. Results and inferences are discussed in terms of the processing of large carbonaceous molecules in astrophysical environments.

  18. Hydrocarbon biodegradation in intertidal wetland sediments.

    Science.gov (United States)

    McGenity, Terry J

    2014-06-01

    Intertidal wetlands, primarily salt marsh, mangrove and mudflats, which provide many essential ecosystem services, are under threat on numerous fronts; a situation that is made worse by crude-oil pollution. Microbes are the main vehicle for remediation of such sediments, and new discoveries, such as novel biodegradation pathways, means of accessing oil, multi-species interactions, and community-level responses to oil addition, are helping us to understand, predict and monitor the fate of oil. Despite this, there are many challenges, not least because of the heterogeneity of these ecosystems and the complexity of crude oil. For example, there is growing awareness about the toxicity of the oxygenated products that result from crude-oil weathering, which are difficult to degrade. This review highlights how developments in areas as diverse as systems biology, microbiology, ecology, biogeochemistry and analytical chemistry are enhancing our understanding of hydrocarbon biodegradation and thus bioremediation of oil-polluted intertidal wetlands.

  19. The modes of gaseous combustion

    CERN Document Server

    Rubtsov, Nickolai M

    2016-01-01

    This book provides an analysis of contemporary problems in combustion science, namely flame propagation, detonation and heterophaseous combustion based on the works of the author. The current problems in the area of gas combustion, as well as the methods allowing to calculate and estimate limiting conditions of ignition, and flame propagation on the basis of experimental results are considered. The book focuses on the virtually inaccessible works of Russian authors and will be useful for experienced students and qualified scientists in the area of experimental studies of combustion processes.

  20. Combustion from basics to applications

    CERN Document Server

    Lackner, Maximilian; Winter, Franz

    2013-01-01

    Combustion, the process of burning, is defined as a chemical reaction between a combustible reactant (the fuel) and an oxidizing agent (such as air) in order to produce heat and in most cases light while new chemical species (e.g., flue gas components) are formed. This book covers a gap on the market by providing a concise introduction to combustion. Most of the other books currently available are targeted towards the experienced users and contain too many details and/or contain knowledge at a fairly high level. This book provides a brief and clear overview of the combustion basics, suitable f