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Sample records for hydrocarbon combustion chemistry

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

    SciTech Connect

    Fernandez-Tarrazo, Eduardo; Sanchez, Antonio L.; Linan, Amable; Williams, Forman A.

    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)

  2. Combustion chemistry

    SciTech Connect

    Brown, N.J.

    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).

  3. Hydrocarbon Fouling of SCR during PCCI combustion

    SciTech Connect

    Prikhodko, Vitaly Y; Pihl, Josh A; Lewis Sr, Samuel Arthur; Parks, II, James E

    2012-01-01

    The combination of advanced combustion with advanced selective catalytic reduction (SCR) catalyst formulations was studied in the work presented here to determine the impact of the unique hydrocarbon (HC) emissions from premixed charge compression ignition (PCCI) combustion on SCR performance. Catalyst core samples cut from full size commercial Fe- and Cu-zeolite SCR catalysts were exposed to a slipstream of raw engine exhaust from a 1.9-liter 4-cylinder diesel engine operating in conventional and PCCI combustion modes. The zeolites which form the basis of these catalysts are different with the Cu-based catalyst made on a chabazite zeolite which las smaller pore structures relative to the Fe-based catalyst. Subsequent to exposure, bench flow reactor characterization of performance and hydrocarbon release and oxidation enabled evaluation of overall impacts from the engine exhaust. The Fe-zeolite NOX conversion efficiency was significantly degraded, especially at low temperatures (<250 C), after the catalyst was exposed to the raw engine exhaust. The degradation of the Fe-zeolite performance was similar for both combustion modes. The Cu-zeolite showed better tolerance to HC fouling at low temperatures compared to the Fe-zeolite but PCCI exhaust had a more significant impact than the exhaust from conventional combustion on the NOX conversion efficiency. Furthermore, chemical analysis of the hydrocarbons trapped on the SCR cores was conducted to better determine chemistry specific effects.

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

    SciTech Connect

    Ervin, Kent M.

    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.

  5. LOX/Hydrocarbon Combustion Instability Investigation

    NASA Technical Reports Server (NTRS)

    Jensen, R. J.; Dodson, H. C.; Claflin, S. E.

    1989-01-01

    The LOX/Hydrocarbon Combustion Instability Investigation Program was structured to determine if the use of light hydrocarbon combustion fuels with liquid oxygen (LOX) produces combustion performance and stability behavior similar to the LOX/hydrogen propellant combination. In particular methane was investigated to determine if that fuel can be rated for combustion instability using the same techniques as previously used for LOX/hydrogen. These techniques included fuel temperature ramping and stability bomb tests. The hot fire program probed the combustion behavior of methane from ambient to subambient temperatures. Very interesting results were obtained from this program that have potential importance to future LOX/methane development programs. A very thorough and carefully reasoned documentation of the experimental data obtained is contained. The hot fire test logic and the associated tests are discussed. Subscale performance and stability rating testing was accomplished using 40,000 lb. thrust class hardware. Stability rating tests used both bombs and fuel temperature ramping techniques. The test program was successful in generating data for the evaluation of the methane stability characteristics relative to hydrogen and to anchor stability models. Data correlations, performance analysis, stability analyses, and key stability margin enhancement parameters are discussed.

  6. Combustion chemistry of solid propellants

    NASA Technical Reports Server (NTRS)

    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.

  7. Basic Considerations in the Combustion of Hydrocarbon Fuels with Air

    NASA Technical Reports Server (NTRS)

    Barnett, Henry C; Hibbard, Robert R

    1957-01-01

    Basic combustion research is collected, collated, and interpreted as it applies to flight propulsion. The following fundamental processes are treated in separate chapters: atomization and evaporation of liquid fuels, flow and mixing processes in combustion chambers, ignition and flammability of hydrocarbon fuels, laminar flame propagation, turbulent flames, flame stabilization, diffusion flames, oscillations in combustors, and smoke and coke formation in the combustion of hydrocarbon-air mixtures. Theoretical background, basic experimental data, and practical significance to flight propulsion are presented.

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

    SciTech Connect

    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.

  9. High temperature chemistry of aromatic hydrocarbons

    SciTech Connect

    Scott, L.T.

    1991-01-01

    We have not only gained new insight into the mechanism and generality of Polycyclic Aromatic Hydrocarbon (PAH) thermal automerization reactions, we have also uncovered several new high temperature reactions and added a third dimension to our program by applying high temperature chemistry to problems in organic synthesis. Our synthesis of corannulene has attracted much recent attention; however, we believe that the uncatalyzed cyclodehydrogenation reactions'' which form 5-membered rings and 6-membered rings at high temperatures may prove to be of greater general importance in the long term. This bias is reflected in the accompanying proposal.

  10. High temperature chemistry of aromatic hydrocarbons

    SciTech Connect

    Scott, L.T.

    1991-12-31

    We have not only gained new insight into the mechanism and generality of Polycyclic Aromatic Hydrocarbon (PAH) thermal automerization reactions, we have also uncovered several new high temperature reactions and added a third dimension to our program by applying high temperature chemistry to problems in organic synthesis. Our synthesis of corannulene has attracted much recent attention; however, we believe that the uncatalyzed ``cyclodehydrogenation reactions`` which form 5-membered rings and 6-membered rings at high temperatures may prove to be of greater general importance in the long term. This bias is reflected in the accompanying proposal.

  11. Critical reaction rates in hypersonic combustion chemistry

    SciTech Connect

    Oldenborg, R.C.; Harradine, D.M.; Loge, G.W.; Lyman, J.L.; Schott, G.L.; Winn, K.R.

    1989-01-01

    High Mach number flight requires that the scramjet propulsion system operate at a relatively low static inlet pressure and a high inlet temperature. These two constraints can lead to extremely high temperatures in the combustor, yielding high densities of radical species and correspondingly poor chemical combustion efficiency. As the temperature drops in the nozzle expansion, recombination of these excess radicals can produce more product species, higher heat yield, and potentially more thrust. The extent to which the chemical efficiency can be enhanced in the nozzle expansion depends directly on the rate of the radical recombination reactions. A comprehensive assessment of the important chemical processes and an experimental validation of the critical rate parameters is therefore required if accurate predictions of scramjet performance are to be obtained. This report covers the identification of critical reactions, and the critical reaction rates in hypersonic combustion chemistry. 4 refs., 2 figs.

  12. Theory and modeling in combustion chemistry

    SciTech Connect

    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.

  13. Turbulent hydrocarbon combustions kinetics - Stochastic modeling and verification

    NASA Technical Reports Server (NTRS)

    Wang, T. S.; Farmer, R. C.; Tucker, Kevin

    1989-01-01

    Idealized reactors, that are designed to ensure perfect mixing and are used to generate the combustion kinetics for complex hydrocarbon fuels, may depart from the ideal and influence the kinetics model performance. A complex hydrocarbon kinetics model that was established by modeling a jet-stirred combustor (JSC) as a perfectly stirred reactor (PSR), is reevaluated with a simple stochastic process in order to introduce the unmixedness effect quantitatively into the reactor system. It is shown that the comparisons of the predictions and experimental data have improved dramatically with the inclusion of the unmixedness effect in the rich combustion region. The complex hydrocarbon kinetics is therefore verified to be mixing effect free and be applicable to general reacting flow calculations.

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

    PubMed

    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 such as analytical chemistry, photochemistry, biochemistry, and the like. In all applications, combustion intermediates, including isomers and radicals, can be distinguished unambiguously, extending our knowledge of intermediate pools and providing more precise targets for quantum chemical calculations of significant reaction channels. The observed mass range covers both small and large combustion products, such as PAHs with two to five carbonic rings. Such analyses present clues toward understanding the molecular growth process from fuel to PAHs and, consequently, soot in fuel-rich hydrocarbon flames. Furthermore, quantitative analyses of chemical structure are available in most applications. For example, one can acquire concentration profiles of flame species versus position in premixed and diffusion flames or versus temperature in pyrolysis and catalytic oxidation. The objectives of validating current kinetic models and developing new kinetic models are thus well served with SVUV-PIMS as an analytical tool in combustion research. PMID:19705821

  15. LOX/hydrocarbon combustion instability investigation. Final report

    SciTech Connect

    Jensen, R.J.; Dodson, H.C.; Claflin, S.E.

    1989-07-01

    The LOX/Hydrocarbon Combustion Instability Investigation Program was structured to determine if the use of light hydrocarbon combustion fuels with liquid oxygen (LOX) produces combustion performance and stability behavior similar to the LOX/hydrogen propellant combination. In particular methane was investigated to determine if that fuel can be rated for combustion instability using the same techniques as previously used for LOX/hydrogen. These techniques included fuel temperature ramping and stability bomb tests. The hot fire program probed the combustion behavior of methane from ambient to subambient temperatures. Very interesting results were obtained from this program that have potential importance to future LOX/methane development programs. A very thorough and carefully reasoned documentation of the experimental data obtained is contained. The hot fire test logic and the associated tests are discussed. Subscale performance and stability rating testing was accomplished using 40,000 lb. thrust class hardware. Stability rating tests used both bombs and fuel temperature ramping techniques. The test program was successful in generating data for the evaluation of the methane stability characteristics relative to hydrogen and to anchor stability models. Data correlations, performance analysis, stability analyses, and key stability margin enhancement parameters are discussed.

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

    NASA Astrophysics Data System (ADS)

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

    1985-12-01

    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.

  17. Fundamental and semi-global kinetic mechanisms for hydrocarbon combustion. Final report, March 1977-October 1980

    SciTech Connect

    Dryer, F L; Glassman, I; Brezinsky, K

    1981-03-01

    Over the past three and one half years, substantial research efforts of the Princeton Fuels Research Group have been directed towards the development of simplified mechanisms which would accurately describe the oxidation of hydrocarbons fuels. The objectives of this combustion research included the study of semi-empirical modeling (that is an overall description) of the chemical kinetic mechanisms of simple hydrocarbon fuels. Such fuels include the alkanes: ethane, propane, butane, hexane and octane as well as the critically important alkenes: ethene, propene and butene. As an extension to this work, the study of the detailed radical species characteristics of combustion systems was initiated as another major aspect of the program, with emphasis on the role of the OH and HO/sub 2/ radicals. Finally, the studies of important alternative fuel problems linked the program to longer range approaches to the energy supply question. Studies of alternative fuels composed the major elements of this area of the program. The efforts on methanol research were completed, and while the aromatics aspects of the DOE work have been a direct extension of efforts supported by the Air Force Office of Scientific Research, they represented a significant part of the overall research effort. The emphasis in the proposed program is to provide further fundamental understanding of the oxidation of hydrocarbon fuels which will be useful in guiding engineering approaches. Although the scope of program ranges from the fundamentals of chemical kinetics to that of alternative fuel combustion, the objective in mind is to provide insight and guidance to the understanding of practical combustion environments. The key to our approach has been our understanding of the fundamental combustion chemistry and its relation to the important practical combustion problems which exist in implementing energy efficient, alternate fuels technologies.

  18. Hydrocarbon-fuel/combustion-chamber-liner materials compatibility

    NASA Technical Reports Server (NTRS)

    Gage, Mark L.

    1990-01-01

    Results of material compatibility experiments using hydrocarbon fuels in contact with copper-based combustion chamber liner materials are presented. Mil-Spec RP-1, n- dodecane, propane, and methane fuels were tested in contact with OFHC, NASA-Z, and ZrCu coppers. Two distinct test methods were employed. Static tests, in which copper coupons were exposed to fuel for long durations at constant temperature and pressure, provided compatibility data in a precisely controlled environment. Dynamic tests, using the Aerojet Carbothermal Test Facility, provided fuel and copper compatibility data under realistic booster engine service conditions. Tests were conducted using very pure grades of each fuel and fuels to which a contaminant, e.g., ethylene or methyl mercaptan, was added to define the role played by fuel impurities. Conclusions are reached as to degradation mechanisms and effects, methods for the elimination of these mechanisms, selection of copper alloy combustion chamber liners, and hydrocarbon fuel purchase specifications.

  19. The chemistry of hydrocarbon ions in the Jovian ionosphere

    NASA Technical Reports Server (NTRS)

    Kim, Y. H.; Fox, J. L.

    1994-01-01

    We have modeled the chemistry of hydrocarbon ions in the jovian ionosphere. We find that a layer of hydrocarbon ions is formed in the altitude range 300-400 km above the ammonia cloud tops, due largely to direct ionization of hydrocarbons by photons in the wings of the H2 absorption lines in the 912- to 1100-A region that penetrate to below the methane homopause. We have explicitly included in the model 156 ion-neutral reactions involving hydrocaron ions with up to two carbon atoms. Larger hydrocarbon ions are included as two pseudoions, C3Hn(+) and C4Hn(+). The model shows that 15 reactions of H(+), CH3(+), CH5(+), C2H3(+), C2H5(+), and C2H6(+) with hydrocarbon neutrals are the major processes that are responsible for the production and growth of C1-, C2- and C3- or C4-ions in the hydrocarbon ion layer. The model also shows that ions initially produced in the hydrocarbon ion layer are converted into hydrocarbon ions with more than two carbon atoms with very little loss by recombination. It is likely that successive hydrocarbon ion-neutral reactions continue to produce even larger hydrocarbon ions, so the terminal ions probably have more than three or four carbon atoms. In the auroral regions, the chemistry of hydrocarbon ions may modify the densities of neutral hydrocarbons, especially C2H2 in the upper mesosphere, and may play a major role in the production of polar haze particles.

  20. Laser probes of propellant combustion chemistry. Final report 30 Sep 80-31 Jan 84

    SciTech Connect

    Crosley, D.R.; Smith, G.P.; Golden, D.M.

    1984-03-29

    Laser-induced fluorescence (LIF) can be used to measure the atomic, diatomic, and triatomic free radicals that are the intermediates in combustion chemistry. Coupled with detailed models, which incorporate a sound and consistent set of reaction rate constants, such measurements can lead to an understanding of that chemistry, having predictive value for use under experimentally difficult conditions. This report describes the development of LIF techniques, the applications of such techniques of flames and to laser pyrolysis/laser fluorescence kinetics experiments, studies of rate constant estimations and detailed modeling of combustion chemistry. The chemistry studied is that of combusting mixtures of CH4/N2O, CH2O/N2O, CH2O/NO2, and related compounds. These contain the chemical networks, individual reactions, and radical species present in the gas-phase combustion of nitramine propellants, such as HMX and RDX. The tasks described are LIF diagnostic studies on O, N, OH, NCO, and NH2 in flow systems and flames, rate constant estimation studies for unimolecular decomposition of CH2O and several hydrocarbons, modelling of the CH2O/N2O flame, and laser pyrolysis/laser fluorescence studies of CH4/N2O and CH2O/N2O chemistry.

  1. (High temperature chemistry of aromatic hydrocarbons)

    SciTech Connect

    Scott, L.T.

    1989-11-01

    This project focuses on the molecular transformations of aromatic hydrocarbons at high temperatures. Some of the studies make use of readily available compounds; however, others require lengthy organic syntheses. Two studies of each type are summarized herein.

  2. Explosion-induced combustion of hydrocarbon clouds in a chamber

    SciTech Connect

    Neuwald, P; Reichenbach, H; Kuhl, A L

    2001-02-06

    The interaction of the detonation of a solid HE-charge with a non-premixed cloud of hydro-carbon fuel in a chamber was studied in laboratory experiments. Soap bubbles filled with a flammable gas were subjected to the blast wave created by the detonation of PETN-charges (0.2 g < mass < 0.5 g). The dynamics of the combustion system were investigated by means of high-speed photography and measurement of the quasi-static chamber pressure.

  3. Mach 2 combustion characteristics of hydrogen/hydrocarbon fuel mixtures

    SciTech Connect

    Diskin, G.S.; Jachimowski, C.J.; Northam, G.B.; Bell, R.A.

    1987-01-01

    The combustion of H/sub 2//CH/sub 4/ and H/sub 2//C/sub 2/H/sub 4/ mixtures containing 10 to 70 vol pct hydrocarbon at combustor inlet Mach number 2 and temperatures 2000 to 4000 R is investigated experimentally, applying direct-connect test hardware and techniques similar to those described by Diskin and Northam (1987) in the facilities of the NASA Langley Hypersonic Propulsion Branch. The experimental setup, procedures, and data-reduction methods are described; and the results are presented in extensive tables and graphs and characterized in detail. Fuel type and mixture are found to have little effect on the wall heating rate measured near the combustor exit, but H/sub 2//C/sub 2/H/sub 4/ is shown to burn much more efficiently than H/sub 2//CH/sub 4/, with no pilot-off blowout equivalence ratios greater than 0.5. It is suggested that H/sub 2//hydrocarbon mixtures are feasible fuels (at least in terms of combustion efficiency) for scramjet SSTO vehicles operating at freestream Mach numbers above 4.

  4. Mach 2 combustion characteristics of hydrogen/hydrocarbon fuel mixtures

    NASA Technical Reports Server (NTRS)

    Diskin, Glenn S.; Jachimowski, C. J.; Northam, G. Burton; Bell, Randy A.

    1987-01-01

    The combustion of H2/CH4 and H2/C2H4 mixtures containing 10 to 70 vol pct hydrocarbon at combustor inlet Mach number 2 and temperatures 2000 to 4000 R is investigated experimentally, applying direct-connect test hardware and techniques similar to those described by Diskin and Northam (1987) in the facilities of the NASA Langley Hypersonic Propulsion Branch. The experimental setup, procedures, and data-reduction methods are described; and the results are presented in extensive tables and graphs and characterized in detail. Fuel type and mixture are found to have little effect on the wall heating rate measured near the combustor exit, but H2/C2H4 is shown to burn much more efficiently than H2/CH4, with no pilot-off blowout equivalence ratios greater than 0.5. It is suggested that H2/hydrocarbon mixtures are feasible fuels (at least in terms of combustion efficiency) for scramjet SSTO vehicles operating at freestream Mach numbers above 4.

  5. Obtaining fullerene-containing soot during combustion of gaseous hydrocarbons in an external electric field

    NASA Astrophysics Data System (ADS)

    Galeev, I. G.; Asadullin, T. Ya

    2016-01-01

    Results of experimental studies are presented which examined the effect of electric field on the soot formation in the combustion of hydrocarbon gases. The peculiarity of these experiments is the possibility of obtaining carbon nanostructures - fullerenes in the combustion of hydrocarbons.

  6. Nanocluster initiation of combustion of off-grade hydrocarbon fuels

    NASA Astrophysics Data System (ADS)

    Alekseenko, S. V.; Pashchenko, S. É.; Salomatov, V. V.

    2010-09-01

    We have performed large-scale experiments on burning, in the regime of nanocluster pulsating combustion, such off-grade fuels as straw oil, hydrocarbon fuel, exhaust crankcase waste, crude oil, and others on the laboratory prototype of the self-contained burner of the Institute of Thermal Physics, Siberian Branch of the Russian Academy of Sciences. The application of modern diagnostics has made it possible to obtain a large body of information on the features of the physicochemical processes of such combustion in the presence of superheated steam. The experimental and theoretical studies have shown that as a result of the heterogeneouscatalytic decomposition of water molecules on soot nanoclusters in the mixing zone, high concentrations of the OH radical are formed and that this decomposition can be effective on carbon particles of size 1-5 nm at temperatures characteristic of traditional flares. The generation of an active OH radical leads to a significant increase in the rates of chemical reactions and a stable high-temperature combustion of "heavy" fuels with the observance of ecological norms.

  7. Atmospheric chemistry of gas-phase polycyclic aromatic hydrocarbons: formation of atmospheric mutagens.

    PubMed Central

    Atkinson, R; Arey, J

    1994-01-01

    The atmospheric chemistry of the 2- to 4-ring polycyclic aromatic hydrocarbons (PAH), which exist mainly in the gas phase in the atmosphere, is discussed. The dominant loss process for the gas-phase PAH is by reaction with the hydroxyl radical, resulting in calculated lifetimes in the atmosphere of generally less than one day. The hydroxyl (OH) radical-initiated reactions and nitrate (NO3) radical-initiated reactions often lead to the formation of mutagenic nitro-PAH and other nitropolycyclic aromatic compounds, including nitrodibenzopyranones. These atmospheric reactions have a significant effect on ambient mutagenic activity, indicating that health risk assessments of combustion emissions should include atmospheric transformation products. PMID:7821285

  8. Parallel Performance of a Combustion Chemistry Simulation

    DOE PAGESBeta

    Skinner, Gregg; Eigenmann, Rudolf

    1995-01-01

    We used a description of a combustion simulation's mathematical and computational methods to develop a version for parallel execution. The result was a reasonable performance improvement on small numbers of processors. We applied several important programming techniques, which we describe, in optimizing the application. This work has implications for programming languages, compiler design, and software engineering.

  9. Classics in Hydrocarbon Chemistry: Syntheses, Concepts, Perspectives (by Henning Hopf)

    NASA Astrophysics Data System (ADS)

    Magid, Ronald M.

    2002-01-01

    What makes the book such a delight is that the reader can sense the joy and excitement that motivated the original researchers. This is summed up in a paragraph from Hopf (with a gratuitous comment about gender, which, if true, perhaps will not be true when a second edition appears):

    There is one final reason why the study of hydrocarbons attracts many chemiststheir wish to play is often fulfilled extremely well on this exciting playing ground of organic chemistry. Whether (the mostly male) practitioners speak of tinker toy chemistry, molecular Lego or Meccano sets, the connection to an earlier part of their lives is obvious enough.

  10. Calorific values and combustion chemistry of animal manure

    Technology Transfer Automated Retrieval System (TEKTRAN)

    Combustion chemistry and calorific value analyses are the fundamental information for evaluating different biomass waste-to-energy conversion operations. Specific chemical exergy of manure and other biomass feedstock will provide a measure for the theoretically maximum attainable energy. The specifi...

  11. Optimization of hydrocarbon fuels combustion variable composition in thermal power plants

    NASA Astrophysics Data System (ADS)

    Saifullin, E. R.; Larionov, V. M.; Busarov, A. V.; Busarov, V. V.

    2016-01-01

    It is known that associated petroleum gas and refinery waste can be used as fuel in thermal power plants. However, random changes in the composition of such fuels cause instability of the combustion process. This article explores the burning of hydrocarbon fuel in the case of long continuous change of its specific heat of combustion. The results of analysis were used to develop a technique of optimizing the combustion process, ensuring complete combustion of the fuel and its minimum flow.

  12. Novel applications of light hydrocarbons chemistry in petroleum exploration

    SciTech Connect

    Mango, F.D. )

    1991-03-01

    The light hydrocarbons in petroleum are products of a kerogen-specific catalytic process. The catalysts are believed to be the transition metals entrained in kerogen. The process is controlled by the metals in the active sites and the kerogenous organic structures surrounding the active sites. Different catalytic sites are suggested to yield distinct distributions of light hydrocarbons. The author recognizes three dominant (primary) distributions, with all other distributions adequately represented by some linear combination of the three primary distributions. Three catalytic sites, therefore, can be associated with the generation of light hydrocarbons. He introduces a simple and inexpensive procedure using cross plots of various product ratios to correlate oils and source rocks. It has proven to be a remarkably articulate and powerful tool for deconvoluting diverse oils into genetic groups. The light hydrocarbons are also indicators of oil-generation temperature and other physical parameters associated with oil generation. The analysis of light hydrocarbons from this perspective is new. It provides the exploration geochemist with a novel technique for gaining insight into the fundamental chemistry of petroleum generation.

  13. Treating chemistry in combustion with detailed mechanisms -- In situ adaptive tabulation in principal directions -- Premixed combustion

    SciTech Connect

    Yang, B.; Pope, S.B.

    1998-01-01

    A new method to treat chemical reactions in combustion problems with detailed mechanisms is developed. The method is called in situ adaptive tabulation in principal directions (ISATPD). The tabulation is done in situ during combustion calculations and is made in the first few principal directions of the composition space. The integration of the governing equations of chemical reactions is made using detailed mechanisms. Test calculations of the premixed pairwise mixing stirred reactor (PPMSR) are performed for methane/air combustion with a skeletal mechanism consisting of 16 species and 40 reactions, and for natural gas combustion with the GRI 2.11 mechanism consisting of 49 species and 279 reactions. Results show that this method has excellent accuracy (for all species) and efficiency. A speedup in performing chemistry of 1,665 is obtained for the methane/air combustion system with the skeletal mechanism. The speedup will increase as the calculation continues since less integrations will be performed.

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

    NASA Technical Reports Server (NTRS)

    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.

  15. Thermal decomposition and combustion chemistry of cellulosic biomass

    NASA Astrophysics Data System (ADS)

    Sullivan, A. L.; Ball, R.

    2012-02-01

    Emissions from open vegetation fires contribute significantly to global atmospheric dynamics. However, the value of improved quantification of areas burned and knowledge of the composition and structure of biomass fuel is compromised in current emissions modelling and measurement by inadequate understanding of the chemistry of biomass combustion. Physical models of the behaviour of open vegetation fires also have relied on over-simplified combustion chemistry. Considerable knowledge of the thermal degradation and combustion of cellulose, the major constituent of the terrestrial biomass, exists but has yet to make an impact in the fields of atmospheric emissions monitoring and open vegetation fire behaviour modelling. This article provides an interpretive summary of the current knowledge of the chemistry and dynamics of the processes of thermal degradation and combustion of cellulosic biomass and discusses the role of these processes in determining the emissions from, and behaviour of, open fires in such fuels. The important role of competitive thermal decomposition is emphasised, as a driver and regulator of emissions and fire spread (short-term, local effects) and global carbon distributions (long-term, global effects).

  16. RELATIONSHIPS BETWEEN LABORATORY AND PILOT-SCALE COMBUSTION OF SOME CHLORINATED HYDROCARBONS

    EPA Science Inventory

    Factors governing the occurrence of trace amounts of residual organic substance emissions (ROSEs) in full-scale incinerators are not fully understood. ilot-scale spray combustion experiments involving some liquid chlorinated hydrocarbons (CHCs) and their dilute mixtures with hydr...

  17. RELATIONSHIPS BETWEEN LABORATORY AND PILOT-SCALE COMBUSTION OF SOME CHLORINATED HYDROCARBONS

    EPA Science Inventory

    Factors governing the occurence of trace amounts of residual organic substance emmissions (ROSEs) in full-scale incierators are not fully understood. Pilot-scale spray combustion expereiments involving some liquid chlorinated hydrocarbons (CHCs) and their dilute mixtures with hy...

  18. DIESEL OXIDATION CATALYST CONTROL OF HYDROCARBON AEROSOLS FROM REACTIVITY CONTROLLED COMPRESSION IGNITION COMBUSTION

    SciTech Connect

    Prikhodko, Vitaly Y; Parks, II, James E; Barone, Teresa L; Curran, Scott; Cho, Kukwon; Lewis Sr, Samuel Arthur; Storey, John Morse; Wagner, Robert M

    2011-01-01

    Reactivity Controlled Compression Ignition (RCCI) is a novel combustion process that utilizes two fuels with different reactivity to stage and control combustion and enable homogeneous combustion. The technique has been proven experimentally in previous work with diesel and gasoline fuels; low NOx emissions and high efficiencies were observed from RCCI in comparison to conventional combustion. In previous studies on a multi-cylinder engine, particulate matter (PM) emission measurements from RCCI suggested that hydrocarbons were a major component of the PM mass. Further studies were conducted on this multi-cylinder engine platform to characterize the PM emissions in more detail and understand the effect of a diesel oxidation catalyst (DOC) on the hydrocarbon-dominated PM emissions. Results from the study show that the DOC can effectively reduce the hydrocarbon emissions as well as the overall PM from RCCI combustion. The bimodal size distribution of PM from RCCI is altered by the DOC which reduces the smaller mode 10 nm size particles.

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

    SciTech Connect

    Ranzi, E.; Sogaro, A.; Gaffuri, P.; Pennati, G.; Westbrook, C.K.; Pitz, W.J.

    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.

  20. Carbon Deposition Model for Oxygen-Hydrocarbon Combustion, Volume 2

    NASA Technical Reports Server (NTRS)

    Hernandez, R.; Ito, J. I.; Niiya, K. Y.

    1987-01-01

    Presented are details of the design, fabrication, and testing of subscale hardware used in the evaluation of carbon deposition characteristics of liquid oxygen and three hydrocarbon fuels for both main chamber and preburner/gas generator operating conditions. In main chamber conditions, the deposition of carbon on the combustion chamber wall was investigated at mixture ratios of 2.0 to 4.0 and at chamber pressures of 1000 to 1500 psia. No carbon deposition on chamber walls was detected at these main chamber mixture ratios. In preburner/gas generator operating conditions, the deposition of carbon on the turbine simulator tubes was evaluated at mixture ratios of 0.20 to 0.60 and at chamber pressures of 720 to 1650 psia. The results of the tests showed carbon deposition rate to be a strong function of mixture ratio and a weak function of chamber pressure. Further analyses evaluated the operational concequences of carbon deposition on preburner/gas generator performance. This is Volume 2 of the report, which contains data plots of all the test programs.

  1. Carbon deposition model for oxygen-hydrocarbon combustion, volume 1

    NASA Technical Reports Server (NTRS)

    Hernandez, R.; Ito, J. I.; Niiya, K. Y.

    1987-01-01

    Presented are details of the design, fabrication, and testing of subscale hardware used in the evaluation of carbon deposition characteristics of liquid oxygen and three hydrocarbon fuels for both main chamber and preburner/gas generator operating conditions. In main chamber conditions, the deposition of carbon on the combustion chamber wall was investigated at mixture ratios of 2.0 to 4.0 and at pressures of 1000 to 1500 psia. No carbon deposition on the chamber walls was detected at these main chamber mixture ratios. In preburner/gas generator operating conditions, the deposition of carbon on the turbine simulator tubes was evaluated at mixture ratios of 0.20 to 0.60 and at chamber pressures of 720 to 1650 psia. The results of the tests showed carbon deposition rate to be a strong function of mixture ratio and a weak function of chamber pressure. Further analyses evaluated the operational consequences of carbon deposition on preburner/gas generator performance. The report is in two volumes, of which this is Volume 1 covering the main body of the report plus Appendixes A through D.

  2. A filtered tabulated chemistry model for LES of premixed combustion

    SciTech Connect

    Fiorina, B.; Auzillon, P.; Darabiha, N.; Gicquel, O.; Veynante, D.; Vicquelin, R.

    2010-03-15

    A new modeling strategy called F-TACLES (Filtered Tabulated Chemistry for Large Eddy Simulation) is developed to introduce tabulated chemistry methods in Large Eddy Simulation (LES) of turbulent premixed combustion. The objective is to recover the correct laminar flame propagation speed of the filtered flame front when subgrid scale turbulence vanishes as LES should tend toward Direct Numerical Simulation (DNS). The filtered flame structure is mapped using 1-D filtered laminar premixed flames. Closure of the filtered progress variable and the energy balance equations are carefully addressed in a fully compressible formulation. The methodology is first applied to 1-D filtered laminar flames, showing the ability of the model to recover the laminar flame speed and the correct chemical structure when the flame wrinkling is completely resolved. The model is then extended to turbulent combustion regimes by including subgrid scale wrinkling effects in the flame front propagation. Finally, preliminary tests of LES in a 3-D turbulent premixed flame are performed. (author)

  3. High fidelity chemistry and radiation modeling for oxy -- combustion scenarios

    NASA Astrophysics Data System (ADS)

    Abdul Sater, Hassan A.

    To account for the thermal and chemical effects associated with the high CO2 concentrations in an oxy-combustion atmosphere, several refined gas-phase chemistry and radiative property models have been formulated for laminar to highly turbulent systems. This thesis examines the accuracies of several chemistry and radiative property models employed in computational fluid dynamic (CFD) simulations of laminar to transitional oxy-methane diffusion flames by comparing their predictions against experimental data. Literature review about chemistry and radiation modeling in oxy-combustion atmospheres considered turbulent systems where the predictions are impacted by the interplay and accuracies of the turbulence, radiation and chemistry models. Thus, by considering a laminar system we minimize the impact of turbulence and the uncertainties associated with turbulence models. In the first section of this thesis, an assessment and validation of gray and non-gray formulations of a recently proposed weighted-sum-of-gray gas model in oxy-combustion scenarios was undertaken. Predictions of gas, wall temperatures and flame lengths were in good agreement with experimental measurements. The temperature and flame length predictions were not sensitive to the radiative property model employed. However, there were significant variations between the gray and non-gray model radiant fraction predictions with the variations in general increasing with decrease in Reynolds numbers possibly attributed to shorter flames and steeper temperature gradients. The results of this section confirm that non-gray model predictions of radiative heat fluxes are more accurate than gray model predictions especially at steeper temperature gradients. In the second section, the accuracies of three gas-phase chemistry models were assessed by comparing their predictions against experimental measurements of temperature, species concentrations and flame lengths. The chemistry was modeled employing the Eddy Dissipation Concept (EDC) employing a 41-step detailed chemistry mechanism, the non-adiabatic extension of the equilibrium Probability Density Function (PDF) based mixture-fraction model and a two-step global finite rate chemistry model with modified rate constants proposed to work well in oxy-methane flames. Based on the results from this section, the equilibrium PDF model in conjunction with a high-fidelity non-gray model for the radiative properties of the gas-phase may be deemed as accurate to capture the major gas species concentrations, temperatures and flame lengths in oxy-methane flames. The third section examines the variations in radiative transfer predictions due to the choice of chemistry and gas-phase radiative property models. The radiative properties were estimated employing four weighted-sum-of-gray-gases models (WSGGM) that were formulated employing different spectroscopic/model databases. An average variation of 14 -- 17% in the wall incident radiative fluxes was observed between the EDC and equilibrium mixture fraction chemistry models, due to differences in their temperature predictions within the flame. One-dimensional, line-of-sight radiation calculations showed a 15 -- 25 % reduction in the directional radiative fluxes at lower axial locations as a result of ignoring radiation from CO and CH4. Under the constraints of fixed temperature and species distributions, the flame radiant power estimates and average wall incident radiative fluxes varied by nearly 60% and 11% respectively among the different WSGG models.

  4. Computationally efficient implementation of combustion chemistry in parallel PDF calculations

    NASA Astrophysics Data System (ADS)

    Lu, Liuyan; Lantz, Steven R.; Ren, Zhuyin; Pope, Stephen B.

    2009-08-01

    In parallel calculations of combustion processes with realistic chemistry, the serial in situ adaptive tabulation (ISAT) algorithm [S.B. Pope, Computationally efficient implementation of combustion chemistry using in situ adaptive tabulation, Combustion Theory and Modelling, 1 (1997) 41-63; L. Lu, S.B. Pope, An improved algorithm for in situ adaptive tabulation, Journal of Computational Physics 228 (2009) 361-386] substantially speeds up the chemistry calculations on each processor. To improve the parallel efficiency of large ensembles of such calculations in parallel computations, in this work, the ISAT algorithm is extended to the multi-processor environment, with the aim of minimizing the wall clock time required for the whole ensemble. Parallel ISAT strategies are developed by combining the existing serial ISAT algorithm with different distribution strategies, namely purely local processing (PLP), uniformly random distribution (URAN), and preferential distribution (PREF). The distribution strategies enable the queued load redistribution of chemistry calculations among processors using message passing. They are implemented in the software x2f_mpi, which is a Fortran 95 library for facilitating many parallel evaluations of a general vector function. The relative performance of the parallel ISAT strategies is investigated in different computational regimes via the PDF calculations of multiple partially stirred reactors burning methane/air mixtures. The results show that the performance of ISAT with a fixed distribution strategy strongly depends on certain computational regimes, based on how much memory is available and how much overlap exists between tabulated information on different processors. No one fixed strategy consistently achieves good performance in all the regimes. Therefore, an adaptive distribution strategy, which blends PLP, URAN and PREF, is devised and implemented. It yields consistently good performance in all regimes. In the adaptive parallel ISAT strategy, the type and extent of redistribution is determined "on the fly" based on the prediction of future simulation time. Compared to the PLP/ISAT strategy where chemistry calculations are essentially serial, a speed-up factor of up to 30 is achieved. The study also demonstrates that the adaptive strategy has acceptable parallel scalability.

  5. Nonlinear characteristics and detection of combustion modes for a hydrocarbon fueled scramjet

    NASA Astrophysics Data System (ADS)

    Zhang, Cong; Yang, Qingchun; Chang, Juntao; Tang, Jingfeng; Bao, Wen

    2015-05-01

    An experimental investigation of combustion mode transition in a hydrocarbon fueled scramjet combustor model is reported under Mach number 2.1 and 2.5 inflow conditions. Three different combustion modes with respect to equivalence ratio are observed, namely, scramjet mode, weak ramjet mode and strong ramjet mode. The typical features of different combustion modes are analyzed by wall-pressures and one-dimensionally estimated Mach number distributions. The processes of combustion mode transitions show significant nonlinear characteristics. The static pressure and Mach number have discontinuous sudden changes as the mode transition occurs, especially near the fuel-supply region, emphasizing the importance of detection and control of combustion modes. The nonlinear characteristics of wall-pressures near the exit of the isolator can be used in the detection of different combustion modes. A series of experiments prove that this pressure-magnitude-based detection technique is feasible.

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

    NASA Technical Reports Server (NTRS)

    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.

  7. Nonmethane hydrocarbon chemistry in the remote marine boundary layer

    NASA Technical Reports Server (NTRS)

    Donahue, Neil M.; Prinn, Ronald G.

    1990-01-01

    A photochemical model of the remote marine boundary layer (MBL) is presented, with focus placed on the role of reactive nonmethane hydrocarbons (NMHC). A wide range of NMHC air-sea fluxes with various relative distributions of NMHC regions are considered. In particular, the flux magnitude at which NMHC emissions become significant, and then dominant, players in MBL chemistry is identified. Emphasis is placed on diurnal variability, diurnal ozone variations and sensitivity to NMHC emission fluxes, to CO, O3, H2O, and UV light, and to kinetics and isometric composition. Model runs indicate that, in the range consistent with current observations, the NMHCs may either dominate MBL chemistry, or simply be contributors at the 10-percent level. These model runs also show that existing observations of NMHCs in ocean water find them to scarce for fluxes from bulk-flux air-sea gas exchange models to be consistent with the fluxes needed in the proposed model to maintain the lowest observed MBL NMHC.

  8. Thermal effect of hydrocarbon fuels combustion after a sudden change in the specific calorific value

    NASA Astrophysics Data System (ADS)

    Saifullin, E. R.; Larionov, V. M.; Busarov, A. V.; Busarov, V. V.

    2016-01-01

    Using associated gas and waste oil refineries in thermal power plants, a complex problem due to the variability in fuel composition. This article explores the burning of hydrocarbon fuel in the case of an abrupt change in its specific combustion heat. Results of the analysis allowed developing a technique of stabilizing the rate of heat release, ensuring complete combustion of the fuel and its minimum flow.

  9. Formation of soot from polycyclic aromatic hydrocarbons as well as fullerenes and carbon nanotubes in the combustion of hydrocarbon

    NASA Astrophysics Data System (ADS)

    Mansurov, Z. A.

    2011-01-01

    The eightieth anniversary of Academician, Lenin Prize Winner Rem Ivanovich Soloukhin is an important event for the scientific association of investigators of combustion and detonation processes. R. I. Soloukhin has developed original gasdynamic laser systems based on the selective thermal excitation and mixing in a supersonic flow: efficient high-power gas-flow lasers of convective type with electric excitation and chemical lasers initiated by an electron beam. He proposed methods of measuring the rapidly changing pressure, density, temperature, and other parameters of processes occurring in shock waves. Deputy Editor-in-Chief of the Journal "Fizika Goreniya Vzryva," Professor at Novosibirsk University R. I. Soloukhin trained a Pleiad of Doctors and Candidates of Sciences. His fundamental investigations form the basis for the development of new directions in the physics of combustion and explosion. In the present article, recent works on soot formation in the combustion of hydrocarbons are reviewed. The phenomenology, kinetics, and mechanism of soot formation, the influence of different factors on the formation of polycyclic aromatic hydrocarbons, fullerenes, carbon nanotubes, and soot, low-temperature cold-flame soot formation, the combustion in an electric field, and the paramagnetism of soot particles were considered from the environmental standpoint.

  10. Rapid computation of chemical equilibrium composition - An application to hydrocarbon combustion

    NASA Technical Reports Server (NTRS)

    Erickson, W. D.; Prabhu, R. K.

    1986-01-01

    A scheme for rapidly computing the chemical equilibrium composition of hydrocarbon combustion products is derived. A set of ten governing equations is reduced to a single equation that is solved by the Newton iteration method. Computation speeds are approximately 80 times faster than the often used free-energy minimization method. The general approach also has application to many other chemical systems.

  11. Isomer-specific combustion chemistry in allene and propyne flames

    SciTech Connect

    Hansen, Nils; Miller, James A.; Westmoreland, Phillip R.; Kasper, Tina; Kohse-Hoeinghaus, Katharina; Wang, Juan; Cool, Terrill A.

    2009-11-15

    A combined experimental and modeling study is performed to clarify the isomer-specific combustion chemistry in flames fueled by the C{sub 3}H{sub 4} isomers allene and propyne. To this end, mole fraction profiles of several flame species in stoichiometric allene (propyne)/O{sub 2}/Ar flames are analyzed by means of a chemical kinetic model. The premixed flames are stabilized on a flat-flame burner under a reduced pressure of 25 Torr (=33.3 mbar). Quantitative species profiles are determined by flame-sampling molecular-beam mass spectrometry, and the isomer-specific flame compositions are unraveled by employing photoionization with tunable vacuum-ultraviolet synchrotron radiation. The temperature profiles are measured by OH laser-induced fluorescence. Experimental and modeled mole fraction profiles of selected flame species are discussed with respect to the isomer-specific combustion chemistry in both flames. The emphasis is put on main reaction pathways of fuel consumption, of allene and propyne isomerization, and of isomer-specific formation of C{sub 6} aromatic species. The present model includes the latest theoretical rate coefficients for reactions on a C{sub 3}H{sub 5} potential [J.A. Miller, J.P. Senosiain, S.J. Klippenstein, Y. Georgievskii, J. Phys. Chem. A 112 (2008) 9429-9438] and for the propargyl recombination reactions [Y. Georgievskii, S.J. Klippenstein, J.A. Miller, Phys. Chem. Chem. Phys. 9 (2007) 4259-4268]. Larger peak mole fractions of propargyl, allyl, and benzene are observed in the allene flame than in the propyne flame. In these flames virtually all of the benzene is formed by the propargyl recombination reaction. (author)

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

    SciTech Connect

    Dryer, F.L.; Yetter, R.A.

    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.

  13. Photographic combustion characterization of LOX/Hydrocarbon type propellants

    NASA Technical Reports Server (NTRS)

    Judd, D. C.

    1980-01-01

    One hundred twenty-seven tests were conducted over a chamber pressure range of 125-1500 psia, a fuel temperature range of -245 F to 158 F, and a fuel velocity range of 48-707 ft/sec to demonstrate the advantages and limitations of using high speed photography to identify potential combustion anomalies such as pops, fuel freezing, reactive stream separation and carbon formations. Combustion evaluation criteria were developed to guide selection of the fuels, injector elements, and operating conditions for testing. Separate criteria were developed for fuel and injector element selection and evaluation. The photographic test results indicated conclusively that injector element type and design directly influence carbon formation. Unlike spray fan, impingement elements reduce carbon formation because they induce a relatively rapid near zone fuel vaporization rate. Coherent jet impingement elements, on the other hand, exhibit increased carbon formation.

  14. Photographic Combustion Characterization of LOX/Hydrocarbon Type Propellants

    NASA Technical Reports Server (NTRS)

    Judd, D. C.

    1980-01-01

    The advantages and limitations of using high speed photography to identify potential combustion anomalies (pops, fuel freezing, reactive stream separation (RSS), carbon formation) were demonstrated. Combustion evaluation criteria were developed for evaluating, characterizing, and screening promising low cost propellant combination(s) and injector element(s) for long life, reusable engine systems. Carbon formation and RSS mechanisms and trends were identified by using high speed color photography at speeds up to 6000 frames/sec. Single element injectors were tested with LOX/RP-1, LOX/Propane, LOX/Methane and LOX/Ammonia propellants. Tests were conducted using seven separate injector elements. Five different conventionally machined elements were tested: OFO Triplet; Rectangular Unlike Doublet (RUD); Unlike Doublet (UD); Like on Lke Doublet (LOL-EDM); and Slit Triplet.

  15. Geochemical evidence for combustion of hydrocarbons during the K-T impact event

    PubMed Central

    Belcher, Claire M.; Finch, Paul; Collinson, Margaret E.; Scott, Andrew C.; Grassineau, Nathalie V.

    2009-01-01

    It has been proposed that extensive wildfires occurred after the Cretaceous–Tertiary (K-T) impact event. An abundance of soot and pyrosynthetic polycyclic aromatic hydrocarbons (pPAHs) in marine K-T boundary impact rocks (BIRs) have been considered support for this hypothesis. However, nonmarine K-T BIRs, from across North America, contain only rare occurrences of charcoal yet abundant noncharred plant remains. pPAHs and soot can be formed from a variety of sources, including partial combustion of vegetation and hydrocarbons whereby modern pPAH signatures are traceable to their source. We present results from multiple nonmarine K-T boundary sites from North America and reveal that the K-T BIRs have a pPAH signature consistent with the combustion of hydrocarbons and not living plant biomass, providing further evidence against K-T wildfires and compelling evidence that a significant volume of hydrocarbons was combusted during the K-T impact event. PMID:19251660

  16. Geochemical evidence for combustion of hydrocarbons during the K-T impact event.

    PubMed

    Belcher, Claire M; Finch, Paul; Collinson, Margaret E; Scott, Andrew C; Grassineau, Nathalie V

    2009-03-17

    It has been proposed that extensive wildfires occurred after the Cretaceous-Tertiary (K-T) impact event. An abundance of soot and pyrosynthetic polycyclic aromatic hydrocarbons (pPAHs) in marine K-T boundary impact rocks (BIRs) have been considered support for this hypothesis. However, nonmarine K-T BIRs, from across North America, contain only rare occurrences of charcoal yet abundant noncharred plant remains. pPAHs and soot can be formed from a variety of sources, including partial combustion of vegetation and hydrocarbons whereby modern pPAH signatures are traceable to their source. We present results from multiple nonmarine K-T boundary sites from North America and reveal that the K-T BIRs have a pPAH signature consistent with the combustion of hydrocarbons and not living plant biomass, providing further evidence against K-T wildfires and compelling evidence that a significant volume of hydrocarbons was combusted during the K-T impact event. PMID:19251660

  17. A density functional theory study of hydrocarbon combustion and synthesis on Ni surfaces.

    PubMed

    Mohsenzadeh, Abas; Richards, Tobias; Bolton, Kim

    2015-03-01

    Combustion and synthesis of hydrocarbons may occur directly (CH ? C + H and CO ? C + O) or via a formyl (CHO) intermediate. Density functional theory (DFT) calculations were performed to calculate the activation and reaction energies of these reactions on Ni(111), Ni(110), and Ni(100) surfaces. The results show that the energies are sensitive to the surface structure. The dissociation barrier for methylidyne (CH ? C + H: catalytic hydrocarbon combustion) is lower than that for its oxidation reaction (CH + O ? CHO) on the Ni(110) and Ni(100) surfaces. However the oxidation barrier is lower than that for dissociation on the Ni(111) surface. The dissociation barrier for methylidyne dissociation decreases in the order Ni(111) > Ni(100) > Ni(110). The barrier of formyl dissociation to CO and H is almost the same on the Ni(111) and Ni(110) surfaces and is lower compared to the Ni(100) surface. The energy barrier for carbon monoxide dissociation (CO ? C + O: catalytic hydrocarbon synthesis) is higher than that of for its hydrogenation reaction (CO + H ? CHO) on all three surfaces. This means that the hydrogenation to CHO is favored on these nickel surfaces. The energy barrier for both reactions decreases in the order Ni(111) > Ni(100) > Ni(110). The barrier for formyl dissociation to CH + O decreases in the order Ni(100) > Ni(111) > Ni(110). Based on these DFT calculations, the Ni(110) surface shows a better catalytic activity for hydrocarbon combustion compared to the other surfaces, and Ni is a better catalyst for the combustion reaction than for hydrocarbon synthesis, where the reaction rate constants are small. The reactions studied here support the BEP principles with R(2) values equal to 0.85 for C-H bond breaking/forming and 0.72 for C-O bond breaking /forming reactions. PMID:25690364

  18. Spray Combustion Modeling with VOF and Finite-Rate Chemistry

    NASA Technical Reports Server (NTRS)

    Chen, Yen-Sen; Shang, Huan-Min; Liaw, Paul; Wang, Ten-See

    1996-01-01

    A spray atomization and combustion model is developed based on the volume-of-fluid (VOF) transport equation with finite-rate chemistry model. The gas-liquid interface mass, momentum and energy conservation laws are modeled by continuum surface force mechanisms. A new solution method is developed such that the present VOF model can be applied for all-speed range flows. The objectives of the present study are: (1) to develop and verify the fractional volume-of-fluid (VOF) cell partitioning approach into a predictor-corrector algorithm to deal with multiphase (gas-liquid) free surface flow problems; (2) to implement the developed unified algorithm in a general purpose computational fluid dynamics (CFD) code, Finite Difference Navier-Stokes (FDNS), with droplet dynamics and finite-rate chemistry models; and (3) to demonstrate the effectiveness of the present approach by simulating benchmark problems of jet breakup/spray atomization and combustion. Modeling multiphase fluid flows poses a significant challenge because a required boundary must be applied to a transient, irregular surface that is discontinuous, and the flow regimes considered can range from incompressible to highspeed compressible flows. The flow-process modeling is further complicated by surface tension, interfacial heat and mass transfer, spray formation and turbulence, and their interactions. The major contribution of the present method is to combine the novel feature of the Volume of Fluid (VOF) method and the Eulerian/Lagrangian method into a unified algorithm for efficient noniterative, time-accurate calculations of multiphase free surface flows valid at all speeds. The proposed method reformulated the VOF equation to strongly couple two distinct phases (liquid and gas), and tracks droplets on a Lagrangian frame when spray model is required, using a unified predictor-corrector technique to account for the non-linear linkages through the convective contributions of VOF. The discontinuities within the sharp interface will be modeled as a volume force to avoid stiffness. Formations of droplets, tracking of droplet dynamics and modeling of the droplet breakup/evaporation, are handled through the same unified predictor-corrector procedure. Thus the new algorithm is non-iterative and is flexible for general geometries with arbitrarily complex topology in free surfaces. The FDNS finite-difference Navier-Stokes code is employed as the baseline of the current development. Benchmark test cases of shear coaxial LOX/H2 liquid jet with atomization/combustion and impinging jet test cases are investigated in the present work. Preliminary data comparisons show good qualitative agreement between data and the present analysis. It is indicative from these results that the present method has great potential to become a general engineering design analysis and diagnostics tool for problems involving spray combustion.

  19. Investigating an annular nozzle on combustion products of hydrocarbon fuels

    NASA Astrophysics Data System (ADS)

    Levin, V. A.; Afonina, N. E.; Gromov, V. G.; Smekhov, G. D.; Khmelevsky, A. N.; Markov, V. V.

    2013-09-01

    Full-scale and computational experiments were used to investigate the flows in the jet thrust unit with annular nozzle and deflector in the form of a spherical segment. The used working gas was the combustion products of air mixtures with acetylene, gas-phase aviation kerosene, and natural gas. Experimental studies were carried out in a hot-shot wind tunnel in the range of stagnation pressure from 0.48 to 2.05 MPa. The calculations for the cases of combustion products outflow in terrestrial and high altitude conditions were performed with the original computer program that used the Euler and Navier-Stokes systems supplemented by equations of chemical kinetics. It was found that the thrust of the jet module with an annular nozzle at high altitude almost twice exceeds the sound nozzle thrust, but is lesser (about 25 %) than the thrust of the ideal calculated Laval nozzle; the difference therewith decreases markedly with the decrease of flight altitude and stagnation pressure.

  20. Photographic combustion characterization of LOX/hydrocarbon type propellants

    NASA Technical Reports Server (NTRS)

    Judd, D. C.

    1979-01-01

    Single element injectors and two fuels were tested with the aim of photographically characterizing observed combustion phenomena. The three injectors tested were the O-F-O triplet, the transverse like on like (TLOL), and the rectangular unlike doublet (RUD). The fuels tested were RP-1 and propane. The hot firings were conducted in a specifically constructed chamber fitted with quartz windows for photographically viewing the impingement spray field. All LOX/HC testing demonstrated coking with the RP-1 fuel leaving far more soot than the propane fuel. No fuel freezing or popping was experienced under the test conditions evaluated. Carbon particle emission and combustion light brilliance increased with Pc for both fuels although RP-1 was far more energetic in this respect. The RSS phenomena appear to be present in the high Pc tests as evidenced by striations in the spray pattern and by separate fuel rich and oxidizer rich areas. The RUD element was also tested as a fuel rich gas generator element by switching the propellant circuits. Excessive sooting occurred at this low mixture ratio (0.55), precluding photographic data.

  1. Hydrocarbon-fuel/copper combustion chamber liner compatibility, corrosion prevention, and refurbishment

    NASA Technical Reports Server (NTRS)

    Rosenberg, S. D.; Gage, M. L.; Homer, G. D.; Franklin, J. E.

    1991-01-01

    An evaluation is made of combustion product/combustion chamber compatibility in the case of a LOX/liquid hydrocarbon booster engine based on copper-alloy thrust chamber which is regeneratively cooled by the fuel. It is found that sulfur impurities in the fuel are the primary causes of copper corrosion, through formation of Cu2S; sulfur levels as low as 1 ppm can result in sufficiently severe copper corrosion to degrade cooling channel performance. This corrosion can be completely eliminated, however, through the incorporation of an electrodeposited gold coating on the copper cooling-channel walls.

  2. Characterisation of charged hydrocarbon sprays for application in combustion systems

    NASA Astrophysics Data System (ADS)

    Shrimpton, J. S.; Yule, A. J.

    Phase Doppler anemometry measurements and flow visualizations are used to measure the structures of electrostatically atomized hydrocarbon fuel sprays, produced by charge injection nozzles. Due to the jet and drop breakup mechanisms that occur for electrostatically charged insulating liquids, these sprays contain relatively large numbers of small drops which are repelled away from the spray core region where the radial electric field component is high. The largest drops remain near the spray centreline and a radial stratification of the average diameter occurs, which can be advantageous for flame stabilisation. Droplet size reduces with increasing specific charge for the spray. Higher values of specific charge are obtained for reduction of orifice diameter, optimum positioning of the nozzle electrode, and increasing liquid flow rate. On the basis of the measurements, descriptions are given of the physics of processes both inside the atomizer and in the spray and the importance of operating the atomizing nozzle at electrohydrodynamically supercritical conditions is described.

  3. Nitrogen chemistry during burnout in fuel-staged combustion

    SciTech Connect

    Kristensen, P.G.; Glarborg, P.; Dam-Johansen, K.

    1996-11-01

    A parametric study of the chemistry of the burnout zone in reburning has been performed in laboratory plug flow reactors in the temperature range 800--1,350 K. Inlet mole fractions of NO, NH{sub 3}, HCN, CO, and O{sub 2} were varied, together with different temperatures and residence times to simulate reaction conditions in practical systems. Under lean conditions, a minimum in NO emission exists as a function of temperature. Both HCN and NH{sub 3} can act as either NO reductants or as sources for NO by oxidation. Reactions and selectivities for HCN and NH{sub 3} are controlled by the radical pool produced by fuel (CO) oxidation. As increasing amounts of CO were added, temperatures for both ignition and the minimum in NO became lower. At 2% CO, 4% O{sub 2}, and 100 ms residence time, the minimum in NO was found at approximately 1,000 K. At low temperatures, significant amounts of N{sub 2}O were measured in the reactor outlet. This is attributed to N{sub 2}O formation by HCN/NO reactions and to the slow decomposition of N{sub 2}O at these temperatures. Large reductions in NO were seen under fuel-rich conditions and at high temperatures. The observed NO reduction was very much dependent on the inlet mole fraction of O{sub 2}. Detailed chemical kinetic modeling of the experiments showed reasonable predictions for overall fuel-lean conditions, but the model failed to predict experimental results under fuel-rich conditions. The present results provide guidelines for optimizing the conditions for the burnout process of reburning, as well as other processes for NO{sub x} reduction by staged combustion. The results also provide a test basis for verifying kinetic models for nitrogen chemistry at low temperatures (800--1,350 K).

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

    NASA Technical Reports Server (NTRS)

    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.

  5. Chemical kinetic models for combustion of hydrocarbons and formation of nitric oxide

    NASA Technical Reports Server (NTRS)

    Jachimowski, C. J.; Wilson, C. H.

    1980-01-01

    The formation of nitrogen oxides NOx during combustion of methane, propane, and a jet fuel, JP-4, was investigated in a jet stirred combustor. The results of the experiments were interpreted using reaction models in which the nitric oxide (NO) forming reactions were coupled to the appropriate hydrocarbon combustion reaction mechanisms. Comparison between the experimental data and the model predictions reveals that the CH + N2 reaction process has a significant effect on NO formation especially in stoichiometric and fuel rich mixtures. Reaction models were assembled that predicted nitric oxide levels that were in reasonable agreement with the jet stirred combustor data and with data obtained from a high pressure (5.9 atm (0.6 MPa)), prevaporized, premixed, flame tube type combustor. The results also suggested that the behavior of hydrocarbon mixtures, like JP-4, may not be significantly different from that of pure hydrocarbons. Application of the propane combustion and nitric oxide formation model to the analysis of NOx emission data reported for various aircraft gas turbines showed the contribution of the various nitric oxide forming processes to the total NOx formed.

  6. Hydrocarbon-fuel/combustion-chamber-liner materials compatibility

    NASA Technical Reports Server (NTRS)

    Homer, G. David

    1991-01-01

    The results of dynamic tests using methane and NASA-Z copper test specimen under conditions that simulate those expected in the cooling channels of a regeneratively cooled LOX/hydrocarbon booster engine operating at chamber pressures up to 3000 psi are presented. Methane with less than 0.5 ppm sulfur contamination has little or no effect on cooling channel performance. At higher sulfur concentrations, severe corrosion of the NASA-Z copper alloy occurs and the cuprous sulfide Cu2S, thus formed impedes mass flow rate and heat transfer efficiency. Therefore, it is recommended that the methane specification for this end use set the allowable sulfur content at 0.5 ppm (max). Bulk high purity liquid methane that meets this low sulfur requirement is currently available from only one producer. Pricing, availability, and quality assurance are discussed in detail. Additionally, it was found that dilute sodium cyanide solutions effectively refurbish sulfur corroded cooling channels in only 2 to 5 minutes by completely dissolving all the Cu2S. Sulfur corroded/sodium cyanide refurbished channels are highly roughened and the increased surface roughness leads to significant improvements in heat transfer efficiency with an attendant loss in mass flow rate. Both the sulfur corrosion and refurbishment effects are discussed in detail.

  7. Characteristics and combustion of future hydrocarbon fuels. [aircraft fuels

    NASA Technical Reports Server (NTRS)

    Rudey, R. A.; Grobman, J. S.

    1978-01-01

    As the world supply of petroleum crude oil is being depleted, the supply of high-quality crude oil is also dwindling. This dwindling supply is beginning to manifest itself in the form of crude oils containing higher percentages of aromatic compounds, sulphur, nitrogen, and trace constituents. The result of this trend is described and the change in important crude oil characteristics, as related to aircraft fuels, is discussed. As available petroleum is further depleted, the use of synthetic crude oils (those derived from coal and oil shale) may be required. The principal properties of these syncrudes and the fuels that can be derived from them are described. In addition to the changes in the supply of crude oil, increasing competition for middle-distillate fuels may require that specifications be broadened in future fuels. The impact that the resultant potential changes in fuel properties may have on combustion and thermal stability characteristics is illustrated and discussed in terms of ignition, soot formation, carbon deposition flame radiation, and emissions.

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

    NASA Technical Reports Server (NTRS)

    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.

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

    NASA Astrophysics Data System (ADS)

    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 diffusion on the n-heptane/air flames is investigated numerically. In the unstretched flames, Soret diffusion primarily affects the chemical kinetics embedded in the flame structure and the net effect is small; while in the stretched flames, its impact is mainly through those of n-heptane and the secondary fuel, H2, in modifying the flame temperature, with substantial effects.

  10. Intermediates in the Formation of Aromatics in Hydrocarbon Combustion

    NASA Technical Reports Server (NTRS)

    Walch, Stephen P.; Langhoff, S. R. (Technical Monitor)

    1994-01-01

    The formation of the first benzene ring is believed to be the rate limiting step in soot formation. Two different mechanisms have been proposed for formation of cyclic C6 species. The first involves the reaction of two acetylenes to give CH2CHCCH (vinyl acetylene), the loss of a H to give CHCHCCH (n-C41-13) or CH2CCCH (iso-C4H3), and addition of another acetylene to n-C4H3, followed by ring closure to give phenyl radical. Miller and Melius argue that only n-C4H3 leads to phenyl radical and since iso-C4H3 is more stable than n-C4H3 this mechanism is unlikely. An alternative mechanism proposed by them is formation of benzene from the dimerization of two CH2CCH (propargyl) radicals (formed by the reaction of singlet methylene with C2H2). We report reaction pathways and accurate energetics (from CASSCF/internally contracted CI calculations) for the reactions of CH(pi-2) and CH2-1 with acetylene, the reaction of vinylidene with acetylene, and the reaction of n-C4H3 and iso-C4H3 with acetylene. These calculations identify two new reactive intermediates CHCHCH ( a A"-2 ground state in Cs symmetry; spin coupling is a doublet from three singly occupied orbitals) and CHCCH (B-3 ground state in C2 symmetry) from the reaction of CH with acetylene. These species dimerize with no barrier to form benzene and para-benzyne, respectively. CHCCH is proposed as a reactive intermediate which can add to benzene to give higher polynuclear aromatic hydrocarbons or fullerenes. The addition of a C3H2 unit releases two C-C bond energies and thus the resulting addition product contains sufficient energy to break several CH bonds leading to a reduction in the H to C ratio as the cluster size increases. It is found that iso-C4H3 adds to acetylene to initially give a fulvene radical but that this species rearranges to phenyl radical. Thus, the reaction of acetylene with iso-C4H3 does lead to phenyl radical and the cyclization pathway may also contribute to formation of the initial benzene ring.

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

    PubMed Central

    Kolesnichenko, Vladimir L.

    2015-01-01

    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 sp2 and sp3 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.

  12. Combustion

    NASA Technical Reports Server (NTRS)

    Bulzan, Dan

    2007-01-01

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

  13. Determination of Combustion Product Radicals in a Hydrocarbon Fueled Rocket Exhaust Plume

    NASA Technical Reports Server (NTRS)

    Langford, Lester A.; Allgood, Daniel C.; Junell, Justin C.

    2007-01-01

    The identification of metallic effluent materials in a rocket engine exhaust plume indicates the health of the engine. Since 1989, emission spectroscopy of the plume of the Space Shuttle Main Engine (SSME) has been used for ground testing at NASA's Stennis Space Center (SSC). This technique allows the identification and quantification of alloys from the metallic elements observed in the plume. With the prospect of hydrocarbon-fueled rocket engines, such as Rocket Propellant 1 (RP-1) or methane (CH4) fueled engines being considered for use in future space flight systems, the contributions of intermediate or final combustion products resulting from the hydrocarbon fuels are of great interest. The effect of several diatomic molecular radicals, such as Carbon Dioxide , Carbon Monoxide, Molecular Carbon, Methylene Radical, Cyanide or Cyano Radical, and Nitric Oxide, needs to be identified and the effects of their band systems on the spectral region from 300 nm to 850 nm determined. Hydrocarbon-fueled rocket engines will play a prominent role in future space exploration programs. Although hydrogen fuel provides for higher engine performance, hydrocarbon fuels are denser, safer to handle, and less costly. For hydrocarbon-fueled engines using RP-1 or CH4 , the plume is different from a hydrogen fueled engine due to the presence of several other species, such as CO2, C2, CO, CH, CN, and NO, in the exhaust plume, in addition to the standard H2O and OH. These species occur as intermediate or final combustion products or as a result of mixing of the hot plume with the atmosphere. Exhaust plume emission spectroscopy has emerged as a comprehensive non-intrusive sensing technology which can be applied to a wide variety of engine performance conditions with a high degree of sensitivity and specificity. Stennis Space Center researchers have been in the forefront of advancing experimental techniques and developing theoretical approaches in order to bring this technology to a more mature stage.

  14. Real-time prediction of hydrocarbon emissions from liquid combustion systems

    SciTech Connect

    Barton, R.G.; Riale, M.; McCampbell, D.; VanDyne, M.

    1997-12-31

    A laboratory study was conducted to investigate the ability of heuristic computational techniques to predict hydrocarbon emissions using data from simple process and optical monitors. A mini-pilot scale combustion research facility located at Midwest Research Institute was used was used in the study. The facility`s operational and emissions characteristics have been well defined in previous studies. The facility was fired with fuel oil and operated at wide range of combustion conditions. All operating parameters including fuel feed rate, air feed rates and chamber temperature were monitored. In addition, a CCD-array video camera was used to monitor the flame. An array of conventional continuous emissions monitors for CO, CO{sub 2}, O{sub 2}, and THC sampled the exhaust gases. The operational data and the optical field data were combined with the emissions data to form a training data set for a neural network. The trained network was then used to predict the THC emissions.

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

    ERIC Educational Resources Information Center

    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.

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

    ERIC Educational Resources Information Center

    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.…

  17. Chemistry and the Internal Combustion Engine II: Pollution Problems.

    ERIC Educational Resources Information Center

    Hunt, C. B.

    1979-01-01

    Discusses pollution problems which arise from the use of internal combustion (IC) engines in the United Kingdom (UK). The IC engine exhaust emissions, controlling IC engine pollution in the UK, and some future developments are also included. (HM)

  18. Emissions of polycyclic aromatic hydrocarbons from combustion of agricultural and sylvicultural debris

    NASA Astrophysics Data System (ADS)

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

    In this work, 28 parent and substituted-polycyclic aromatic hydrocarbons (PAHs) have been quantified in 76 smoke samples produced by burning pine wood, pine needles, prickly pear and almond skin using two different kinds of combustion devices. The results show a great variability in the total concentrations of the PAHs, while their proportions in the different samples are practically independent of the type of biomass that is burned. Just a few PAHs with low molecular weight—naphthalene, 1- and 2-methylnaphthalene, acenaphthylene and phenanthrene—are the most common in the different smoke samples, representing between 61% and 72% of the total. The high correlation coefficients between naphthalene and the total concentrations of PAHs, or between naphthalene and the concentrations of PAHs grouped by number of rings, demonstrate that all combustion processes studied are equally affected by the variables that regulate those processes. The results underscore the important role that naphthalene plays in the formation of higher molecular weight PAHs by pyrosynthesis and show that the naphthalene concentration can be used as an indicator of the total hydrocarbons content in the smoke.

  19. Catalytic Chemistry of Hydrocarbon Conversion Reactions on Metallic Single Crystals

    NASA Astrophysics Data System (ADS)

    Tysoe, Wilfred T.

    The ability to be able to follow the chemistry of adsorbates on model catalyst surfaces has, in principle, allowed us to peer inside the black box of a catalytic reaction and understand the pathway. Such a strategy is most simply implemented for well-ordered single crystal model catalysts for which the catalytic reaction proceeds in ultrahigh vacuum. Thus, in order to be a good model for the supported catalyst, the single crystal should catalyze the reactions with kinetics identical to those for the supported system. This chapter focuses on catalytic systems that fulfill these criteria, namely alkene and alkyne hydrogenation and acetylene cyclotrimerization on Pd(111). The surface chemistry and geometries of the reactants in ultrahigh vacuum are explored in detail allowing fundamental insights into the catalytic reaction pathways to be obtained.

  20. In situ oxidation of carbon-encapsulated cobalt nanocapsules creates highly active cobalt oxide catalysts for hydrocarbon combustion

    PubMed Central

    Wang, Han; Chen, Chunlin; Zhang, Yexin; Peng, Lixia; Ma, Song; Yang, Teng; Guo, Huaihong; Zhang, Zhidong; Su, Dang Sheng; Zhang, Jian

    2015-01-01

    Combustion catalysts have been extensively explored to reduce the emission of hydrocarbons that are capable of triggering photochemical smog and greenhouse effect. Palladium as the most active material is widely applied in exhaust catalytic converter and combustion units, but its high capital cost stimulates the tremendous research on non-noble metal candidates. Here we fabricate highly defective cobalt oxide nanocrystals via a controllable oxidation of carbon-encapsulated cobalt nanoparticles. Strain gradients induced in the nanoconfined carbon shell result in the formation of a large number of active sites featuring a considerable catalytic activity for the combustion of a variety of hydrocarbons (methane, propane and substituted benzenes). For methane combustion, the catalyst displays a unique activity being comparable or even superior to the palladium ones. PMID:26074206

  1. In situ oxidation of carbon-encapsulated cobalt nanocapsules creates highly active cobalt oxide catalysts for hydrocarbon combustion

    NASA Astrophysics Data System (ADS)

    Wang, Han; Chen, Chunlin; Zhang, Yexin; Peng, Lixia; Ma, Song; Yang, Teng; Guo, Huaihong; Zhang, Zhidong; Su, Dang Sheng; Zhang, Jian

    2015-06-01

    Combustion catalysts have been extensively explored to reduce the emission of hydrocarbons that are capable of triggering photochemical smog and greenhouse effect. Palladium as the most active material is widely applied in exhaust catalytic converter and combustion units, but its high capital cost stimulates the tremendous research on non-noble metal candidates. Here we fabricate highly defective cobalt oxide nanocrystals via a controllable oxidation of carbon-encapsulated cobalt nanoparticles. Strain gradients induced in the nanoconfined carbon shell result in the formation of a large number of active sites featuring a considerable catalytic activity for the combustion of a variety of hydrocarbons (methane, propane and substituted benzenes). For methane combustion, the catalyst displays a unique activity being comparable or even superior to the palladium ones.

  2. In situ oxidation of carbon-encapsulated cobalt nanocapsules creates highly active cobalt oxide catalysts for hydrocarbon combustion.

    PubMed

    Wang, Han; Chen, Chunlin; Zhang, Yexin; Peng, Lixia; Ma, Song; Yang, Teng; Guo, Huaihong; Zhang, Zhidong; Su, Dang Sheng; Zhang, Jian

    2015-01-01

    Combustion catalysts have been extensively explored to reduce the emission of hydrocarbons that are capable of triggering photochemical smog and greenhouse effect. Palladium as the most active material is widely applied in exhaust catalytic converter and combustion units, but its high capital cost stimulates the tremendous research on non-noble metal candidates. Here we fabricate highly defective cobalt oxide nanocrystals via a controllable oxidation of carbon-encapsulated cobalt nanoparticles. Strain gradients induced in the nanoconfined carbon shell result in the formation of a large number of active sites featuring a considerable catalytic activity for the combustion of a variety of hydrocarbons (methane, propane and substituted benzenes). For methane combustion, the catalyst displays a unique activity being comparable or even superior to the palladium ones. PMID:26074206

  3. A role of hydrocarbon reaction for NO{sub x} formation and reduction in fuel-rich pulverized coal combustion

    SciTech Connect

    Taniguchi, Masayuki; Kamikawa, Yuki; Okazaki, Teruyuki; Yamamoto, Kenji; Orita, Hisayuki

    2010-08-15

    We have investigated an index for modeling a NO{sub x} reaction mechanism of pulverized coal combustion. The reaction mechanism of coal nitrogen was examined by drop-tube furnace experiments under various burning conditions. We proposed the gas phase stoichiometric ratio (SRgas) as a key index to evaluate NO{sub x} concentration in fuel-rich flames. The SRgas was defined as: SRgas {identical_to} amount of fuel required for stoichiometry combustion/amount of gasified fuel where, the amount of gasified fuel was defined as the amount of fuel which had been released to the gas phase by pyrolysis, oxidation and gasification reactions. When SRgas < 1.0, NO{sub x} concentration was strongly influenced by the value of SRgas. In this condition, the NO{sub x} concentration was hardly influenced by coal type, particle diameter, or reaction time. We developed a model to analyze NO{sub x} and XN(HCN, NH{sub 3}) concentrations for pulverized coal/air combustion and coal/CO{sub 2}/O{sub 2} combustion, based on the index. NO{sub x} and XN concentrations did not reproduce the experimental results without considering reactions between hydrocarbons and NO{sub x}. The hydrocarbon reaction was important for both NO{sub x} and XN, especially for air combustion. In the present model, an empirical formula was used to estimate the total concentration of hydrocarbons in coal flame. The reaction of heavy hydrocarbons which had plural aromatic rings was very important to analyze the reaction mechanism of hydrocarbons for coal combustion in detail. When burning temperature and SRgas were the same, total hydrocarbon concentration in a coal flame was larger than that of a light gaseous hydrocarbon flame. Total hydrocarbon concentration in oxy-fuel combustion was lower than that in air combustion. We verified the proposed model by experimental results obtained for a drop-tube furnace and a laboratory-scale furnace that had an installed low-NO{sub x} burner. (author)

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

    PubMed Central

    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 1.791.55, 12.19.1, and 5.364.46 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 m 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

  5. ON UPGRADING THE NUMERICS IN COMBUSTION CHEMISTRY CODES. (R824970)

    EPA Science Inventory

    A method of updating and reusing legacy FORTRAN codes for combustion simulations is presented using the DAEPACK software package. The procedure is demonstrated on two codes that come with the CHEMKIN-II package, CONP and SENKIN, for the constant-pressure batch reactor simulati...

  6. Emission of oxygenated polycyclic aromatic hydrocarbons from indoor solid fuel combustion.

    PubMed

    Shen, Guofeng; Tao, Shu; Wang, Wei; Yang, Yifeng; Ding, Junnan; Xue, Miao; Min, Yujia; Zhu, Chen; Shen, Huizhong; Li, Wei; Wang, Bin; Wang, Rong; Wang, Wentao; Wang, Xilong; Russell, Armistead G

    2011-04-15

    Indoor solid fuel combustion is a dominant source of polycyclic aromatic hydrocarbons (PAHs) and oxygenated PAHs (OPAHs) and the latter are believed to be more toxic than the former. However, there is limited quantitative information on the emissions of OPAHs from solid fuel combustion. In this study, emission factors of OPAHs (EF(OPAH)) for nine commonly used crop residues and five coals burnt in typical residential stoves widely used in rural China were measured under simulated kitchen conditions. The total EF(OPAH) ranged from 2.8 0.2 to 8.1 2.2 mg/kg for tested crop residues and from 0.043 to 71 mg/kg for various coals and 9-fluorenone was the most abundant specie. The EF(OPAH) for indoor crop residue burning were 1-2 orders of magnitude higher than those from open burning, and they were affected by fuel properties and combustion conditions, like moisture and combustion efficiency. For both crop residues and coals, significantly positive correlations were found between EFs for the individual OPAHs and the parent PAHs. An oxygenation rate, R(o), was defined as the ratio of the EFs between the oxygenated and parent PAH species to describe the formation potential of OPAHs. For the studied OPAH/PAH pairs, mean R(o) values were 0.16-0.89 for crop residues and 0.03-0.25 for coals. R(o) for crop residues burned in the cooking stove were much higher than those for open burning and much lower than those in ambient air, indicating the influence of secondary formation of OPAH and loss of PAHs. In comparison with parent PAHs, OPAHs showed a higher tendency to be associated with particulate matter (PM), especially fine PM, and the dominate size ranges were 0.7-2.1 ?m for crop residues and high caking coals and <0.7 ?m for the tested low caking briquettes. PMID:21375317

  7. Emission of Oxygenated Polycyclic Aromatic Hydrocarbons from Indoor Solid Fuel Combustion

    PubMed Central

    Shen, Guofeng; Tao, Shu; Wang, Wei; Yang, Yifeng; Ding, Junnan; Xue, Miao; Min, Yujia; Zhu, Chen; Shen, Huizhong; Li, Wei; Wang, Bin; Wang, Rong; Wang, Wentao; Wang, Xilong; Russell, Armistead G.

    2011-01-01

    Indoor solid fuel combustion is a dominant source of polycyclic aromatic hydrocarbons (PAHs) and oxygenated PAHs (OPAHs) and the latter are believed to be more toxic than the former. However, there is limited quantitative information on the emissions of OPAHs from solid fuel combustion. In this study, emission factors of OPAHs (EFOPAH) for nine commonly used crop residues and five coals burnt in typical residential stoves widely used in rural China were measured under simulated kitchen conditions. The total EFOPAH ranged from 2.80.2 to 8.12.2 mg/kg for tested crop residues and from 0.043 to 71 mg/kg for various coals and 9-fluorenone was the most abundant specie. The EFOPAH for indoor crop residue burning were 1~2 orders of magnitude higher than those from open burning, and they were affected by fuel properties and combustion conditions, like moisture and combustion efficiency. For both crop residues and coals, significantly positive correlations were found between EFs for the individual OPAHs and the parent PAHs. An oxygenation rate, Ro, was defined as the ratio of the EFs between the oxygenated and parent PAH species to describe the formation potential of OPAHs. For the studied OPAH/PAH pairs, mean Ro values were 0.16 ~ 0.89 for crop residues and 0.03 ~ 0.25 for coals. Ro for crop residues burned in the cooking stove were much higher than those for open burning and much lower than those in ambient air, indicating the influence of secondary formation of OPAH and loss of PAHs. In comparison with parent PAHs, OPAHs showed a higher tendency to be associated with particulate matter (PM), especially fine PM, and the dominate size ranges were 0.7 ~ 2.1 m for crop residues and high caking coals and < 0.7 m for the tested low caking briquettes. PMID:21375317

  8. Complex reaction networks in high temperature hydrocarbon chemistry.

    PubMed

    Mutlay, ?brahim; Restrepo, Albeiro

    2015-03-28

    Complex chemical reaction mechanisms of high temperature hydrocarbon decomposition are represented as networks and their underlying graph topologies are analyzed as a dynamic system. As model reactants, 1,3-butadiene, acetylene, benzene, ethane, ethylene, methane, methyl isobutyl ketone (MIBK) and toluene are chosen in view of their importance for the global environment, energy technologies as well as their quantum chemical properties. Accurate kinetic mechanisms are computationally simulated and converted to bipartite graphs for the incremental conversion steps of the main reactant. Topological analysis of the resulting temporal networks reveals novel features unknown to classical chemical kinetics theory. The time-dependent percolation behavior of the chemical reaction networks shows infinite order phase transition and a unique correlation between the percolation thresholds and electron distribution of the reactants. These observations are expected to yield important applications in the development of a new theoretical perspective to chemical reactions and technological processes e.g. inhibition of greenhouse gases, efficient utilization of fossil fuels, and large scale carbon nanomaterial production. PMID:25720589

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

    PubMed

    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. PMID:23664492

  10. Physics and chemistry of plasma-assisted combustion.

    PubMed

    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. PMID:26170435

  11. Physics and chemistry of plasma-assisted combustion

    PubMed Central

    Starikovskiy, Andrey

    2015-01-01

    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. PMID:26170435

  12. Nonmethane hydrocarbons in the troposphere - Impact on the odd hydrogen and odd nitrogen chemistry

    NASA Technical Reports Server (NTRS)

    Kasting, James F.; Singh, Hanwant B.

    1986-01-01

    A one-dimensional model is utilized to study the role of nonmethane hydrocarbons (NMHCs) in tropospheric chemistry. The effects of NMHCs on tropospheric peroxyacetyl nitrate (PAN) formation are analyzed; the global distribution and seasonal variability of PAN in the troposphere of the Northern and Southern Hemispheres are examined. The NMHC-PAN measurements obtained by model simulations are compared to the photochemical theory. The seasonal cycles in NMHC abundances are predicted, and their effects on other tropospheric species are investigated.

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

    NASA Astrophysics Data System (ADS)

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

    PubMed

    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)

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

    NASA Astrophysics Data System (ADS)

    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.

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

    PubMed Central

    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; SIMONICH, Staci L. M.

    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, the EFs of 28 pPAHs (EFPAH28), 9 nPAHs (EFPAHn9) and 4 oPAHs (EFPAHo4) were measured for residential combustion of 27 wood fuels in rural China. The measured EFPAH28, EFPAHn9, and EFPAHo4 for brushwood were 86.7±67.6, 3.22±1.95×10−2, and 5.56±4.32 mg/kg, which were significantly higher than 12.7±7.0, 8.27±5.51×10−3, and 1.19±1.87 mg/kg for fuel wood combustion (p < 0.05). Sixteen U.S. EPA priority pPAHs contributed approximately 95% of the total of the 28 pPAHs measured. EFs of pPAHs, nPAHs, and oPAHs were positively correlated with one another. Measured EFs varied obviously depending on fuel properties and combustion conditions. The EFs of pPAHs, nPAHs, and oPAHs were significantly correlated with modified combustion efficiency and fuel moisture. Nitro-naphthalene and 9-fluorenone were the most abundant nPAHs and oPAHs identified. Both nPAHs and oPAHs showed relatively high tendencies to be present in the particulate phase than pPAHs due to their lower vapor pressures. The gas-particle partitioning of freshly emitted pPAHs, nPAHs and oPAHs was primarily controlled by organic carbon absorption. PMID:22765266

  17. Characterization of polycyclic aromatic hydrocarbon particulate and gaseous emissions from polystyrene combustion

    SciTech Connect

    Durlak, S.K.; Biswas, P.; Shi, J.; Bernhard, M.J.

    1998-08-01

    The partitioning of polycyclic aromatic hydrocarbons (PAHs) between the particulate and gaseous phases resulting from the combustion of polystyrene was studied. A vertical tubular flow furnace was used to incinerate polystyrene spheres at different combustion temperatures to determine the effect of temperature and polystyrene feed size on the particulate and gaseous emissions and their chemical composition. The furnace reactor exhaust was sampled using real-time instruments (differential mobility particle sizer and/or optical particle counter) to determine the particle size distribution. For chemical composition analyses, the particles were either collected on Teflon filters or split into eight size fractions using a cascade impactor with filter media substrates, while the gaseous products were collected on XAD-2 adsorbent. Gas chromatography/mass spectroscopy was used to identify and quantify the specific PAH species, their partitioning between the gas and particulate phases, and their distribution as a function of emission particle size. The total mass and number of PAH species in both the particulate and gas phases were found to decrease with increasing incineration temperature and decreasing polystyrene feed size, while the mean diameter of the particles increases with increasing incineration temperature and decreasing feed size. In addition, the PAH species in the particulate phase were found to be concentrated in the smaller aerosol sizes.

  18. Thermodynamic and transport combustion properties of hydrocarbons with air. Part 1: Properties in SI units

    NASA Technical Reports Server (NTRS)

    Gordon, S.

    1982-01-01

    Thermodynamic and transport combustion properties were calculated for a wide range of conditions for the reaction of hydrocarbons with air. Three hydrogen-carbon atom ratios (H/C = 1.7, 2.0, 2.1) were selected to represent the range of aircraft fuels. For each of these H/C ratios, combustion properties were calculated for the following conditions: Equivalence ratio: 0, 0.25, 0.5, 0.75, 1.0, 1.25 Water - dry air mass ratio: 0, 0.03 Pressure, kPa: 1.01325, 10.1325, 101.325, 1013.25, 5066.25 (or in atm: 0.01, 0.1, 1, 10, 50) Temperature, K: every 10 degrees from 200 to 900 K; every 50 degrees from 900 to 3000 K Temperature, R: every 20 degrees from 360 to 1600 R; very 100 degrees from 1600 to 5400 R. The properties presented are composition, density, molecular weight, enthalphy, entropy, specific heat at constant pressure, volume derivatives, isentropic exponent, velocity of sound, viscosity, thermal conductivity, and Prandtl number. Property tables are based on composites that were calculated by assuming both: (1) chemical equilibrium (for both homogeneous and heterogeneous phases) and (2) constant compositions for all temperatures. Properties in SI units are presented in this report for the Kelvin temperature schedules.

  19. Decomposition, combustion, and detonation chemistry of energetic materials

    SciTech Connect

    Brill, T.B.; Russell, T.P.; Tao, W.C.; Wardle, R.B.

    1996-07-01

    Progress in the understanding of energetic materials from the initial synthesis, in the nonreacting state, and finally during decomposition on timescales from hours to picoseconds has markedly advanced in recent years. A major factor has been the incorporation of advanced diagnostics, such as AFM, broadband time-resolved spectroscopy, laser methods, high-level theory, and high-speed computing. New and unusual compounds, which have been sought on the basis of theoretically optimized properties, are progressing from imagination to reality. Control over physical properties, such as defect number and crystal growth characteristics, is occurring. Promising new levels of understanding about reaction pathways, kinetics, sensitivity mechanisms, combustion mechanisms, and shock fronts are being gained. The focus on component materials has continued to expand beyond studies of the neat oxidizers and monopropellants to the behavior of binders, metals and metalloids, and whole new classes of compounds. Many novel materials were mentioned throughout this symposium. The volume is divided into the following topical sections: Synthesis and characterization (13 papers); Thermal decomposition (6); Combustion mechanics (14); and Initiation and detonation (26). Papers have been processed separately for inclusion on the data base.

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

    PubMed

    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. PMID:22534092

  1. 3-D CFD Simulation and Validation of Oxygen-Rich Hydrocarbon Combustion in a Gas-Centered Swirl Coaxial Injector using a Flamelet-Based Approach

    NASA Technical Reports Server (NTRS)

    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 located at Edwards Air Force Base.

  2. Distribution of polycyclic aromatic hydrocarbons in fly ash during coal and residual char combustion in a pressurized fluidized bed

    SciTech Connect

    Hongcang Zhou; Baosheng Jin; Rui Xiao; Zhaoping Zhong; Yaji Huang

    2009-04-15

    To investigate the distribution of polycyclic aromatic hydrocarbons (PAHs) in fly ash, the combustion of coal and residual char was performed in a pressurized spouted fluidized bed. After Soxhlet extraction and Kuderna-Danish (K-D) concentration, the contents of 16 PAHs recommended by the United States Environmental Protection Agency (U.S. EPA) in coal, residual char, and fly ash were analyzed by a high-performance liquid chromatography (HPLC) coupled with fluorescence and diode array detection. The experimental results show that the combustion efficiency is lower and the carbon content in fly ash is higher during coal pressurized combustion, compared to the residual char pressurized combustion at the pressure of 0.3 MPa. Under the same pressure, the PAH amounts in fly ash produced from residual char combustion are lower than that in fly ash produced from coal combustion. The total PAHs in fly ash produced from coal and residual char combustion are dominated by three- and four-ring PAHs. The amounts of PAHs in fly ash produced from residual char combustion increase and then decrease with the increase of pressure in a fluidized bed. 21 refs., 1 fig., 4 tabs.

  3. "Imaging" combustion chemistry via multiplexed synchrotron-photoionization mass spectrometry.

    PubMed

    Taatjes, Craig A; Hansen, Nils; Osborn, David L; Kohse-Höinghaus, Katharina; Cool, Terrill A; Westmoreland, Phillip R

    2008-01-01

    The combination of multiplexed mass spectrometry with photoionization by tunable-synchrotron radiation has proved to be a powerful tool to investigate elementary reaction kinetics and the chemistry of low-pressure flames. In both of these applications, multiple-mass detection and the ease of tunability of synchrotron radiation make it possible to acquire full sets of data as a function of mass, photon energy, and of the physical dimension of the system, e.g. distance from the burner or time after reaction initiation. The data are in essence an indirect image of the chemistry. The data can be quantitatively correlated and integrated along any of several dimensions to compare to traditional measurements such as time or distance profiles of individual chemical species, but it can also be directly interpreted in image form. This perspective offers an overview of flame chemistry and chemical kinetics measurements that combine tunable photoionization with multiple-mass detection, emphasizing the overall insight that can be gained from multidimensional data on these systems. The low-pressure flame apparatus is capable of providing isomer-resolved mass spectra of stable and radical species as a function of position in the flame. The overall chemical structure of the flames can be readily seen from images of the evolving mass spectrum as distance from the burner increases, with isomer-specific information given in images of the photoionization efficiency. Several flames are compared in this manner, with a focus on identification of global differences in fuel-decomposition and soot-formation pathways. Differences in the chemistry of flames of isomeric fuels can be discerned. The application of multiplexed synchrotron photoionization to elementary reaction kinetics permits identification of time-resolved isomeric composition in reacting systems. The power of this technique is illustrated by the separation of direct and dissociative ionization signals in the reaction of C(2)H(5) with O(2); by the resolution of isomeric products in reactions of the ethynyl (C(2)H) radical; and by preliminary observation of branching to methyl + propargyl products in the self-reaction of vinyl radicals. Finally, prospects for future research using multiplexed photoionization mass spectrometry are explored. PMID:18075680

  4. The effects of detailed chemistry and transport on microgravity droplet combustion

    NASA Technical Reports Server (NTRS)

    Marchese, A. J.; Lee, J. C.; Held, T. J.; Dryer, F. L.

    1995-01-01

    A brief overview of recent advances in the theoretical study of microgravity droplet combustion is presented. Much of this work has centered on the development and utilization of sphero-symmetric transient numerical models which consider detailed gas phase chemistry and transport as well as energy and/or species transport within a regressing condensed phase. Numerical results for microgravity combustion and vaporization of methanol, methanol/water, heptane, and heptane/hexadecane droplets are summarized along with refinements in chemical kinetics and the development of a new two-dimensional axi-symmetric model.

  5. Investigation and Optimization of Biodiesel Chemistry for HCCI Combustion

    SciTech Connect

    Bunting, Bruce G.; Bunce, Michael; Joyce, Blake; Crawford, Robert W.

    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.

  6. Investigation and Optimization of Biodiesel Chemistry for HCCI Combustion

    SciTech Connect

    Bunting, Bruce G; Bunce, Michael; Joyce, Blake; Crawford, Robert W

    2011-01-01

    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.

  7. On the Radiolysis of Ethylene Ices by Energetic Electrons and Implications to the Extraterrestrial Hydrocarbon Chemistry

    NASA Astrophysics Data System (ADS)

    Zhou, Li; Maity, Surajit; Abplanalp, Matt; Turner, Andrew; Kaiser, Ralf I.

    2014-07-01

    The chemical processing of ethylene ices (C2H4) by energetic electrons was investigated at 11 K to simulate the energy transfer processes and synthesis of new molecules induced by secondary electrons generated in the track of galactic cosmic ray particles. A combination of Fourier transform infrared spectrometry (solid state) and quadrupole mass spectrometry (gas phase) resulted in the identification of six hydrocarbon molecules: methane (CH4), the C2 species acetylene (C2H2), ethane (C2H6), the ethyl radical (C2H5), and—for the very first time in ethylene irradiation experiments—the C4 hydrocarbons 1-butene (C4H8) and n-butane (C4H10). By tracing the temporal evolution of the newly formed molecules spectroscopically online and in situ, we were also able to fit the kinetic profiles with a system of coupled differential equations, eventually providing mechanistic information, reaction pathways, and rate constants on the radiolysis of ethylene ices and the inherent formation of smaller (C1) and more complex (C2, C4) hydrocarbons involving carbon-hydrogen bond ruptures, atomic hydrogen addition processes, and radical-radical recombination pathways. We also discuss the implications of these results on the hydrocarbon chemistry on Titan's surface and on ice-coated, methane-bearing interstellar grains as present in cold molecular clouds such as TMC-1.

  8. Nitro Polycyclic Aromatic Hydrocarbons in Particulate Matter Emitted by the Combustion of Diesel and Biodiesel

    NASA Astrophysics Data System (ADS)

    Valle-Hernndez, B. L.; Amador-Muoz, O.; Jazcilevich, A. D.; Santos-Medina, G. L.; Hernndez-Lopz, E.; Villalobos-Pietrini, R.

    2013-05-01

    The rapid population growth in large urban areas, has resulted in a precipitous increase in the consumption of fossil fuels, mainly by the transport sector, diesel vehicles are a significant source of air pollution by particulate matter emissions, damaging the population health, because of the size and composition of these particles, as they may contain carcinogenic organic compounds such as polycyclic aromatic hydrocarbons and their derivatives, nitro-PAH. This study focused on analysis of nitro-PAH contained in particles emitted from diesel engines fuelled with biodiesel blends (B5, B10 and B16.67) to different driving cycles (rpm and torque), and to compare their concentrations with emissions from current diesel. A diesel truck engine was used in the laboratory for collect particulate mass emitted directly from the exhaust. Mass of particles and nitro-PAH were determined by gas chromatography-mass spectrometry using negative chemical ionization. No reduction was observed in the particles mass per second by using biodiesel relative to diesel (p > 0.1). Seven nitro-PAH were observed in samples: 1-nitronaphthalene, 2-nitronaphthalene, 9-nitroanthracene, 3-nitrophenanthrene, 1,8-dinitronaphthalene, 1-nitropyrene and 1,6-dinitropyrene. 1-nitropyrene showed the highest mass concentration in diesel and in all blends of biodiesel, followed by 3-nitrophenanthrene. Emissions reduction in biodiesel combustion with respect to diesel combustion were observed for 1-nitropyrene: 50 %, in all blends (B5, B10 and B16.67) and for 3-nitrophenanthrene: 55 % in B5, 72 % in B10 and 64 % in B16.67.

  9. Thermodynamic and transport combustion properties of hydrocarbons with air. Part 2: Compositions corresponding to Kelvin temperature schedules in part 1

    NASA Technical Reports Server (NTRS)

    Gordon, S.

    1982-01-01

    The equilibrium compositions that correspond to the thermodynamic and transport combustion properties for a wide range of conditions for the reaction of hydrocarbons with air are presented. Initially 55 gaseous species and 3 coin condensed species were considered in the calculations. Only 17 of these 55 gaseous species had equilibrium mole fractions greater than 0.000005 for any of the conditions studied and therefore these were the only ones retained in the final tables.

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

    SciTech Connect

    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. Unexpected chemistry from the reaction of naphthyl and acetylene at combustion-like temperatures.

    PubMed

    Parker, Dorian S N; Kaiser, Ralf I; Bandyopadhyay, Biswajit; Kostko, Oleg; Troy, Tyler P; Ahmed, Musahid

    2015-04-27

    The hydrogen abstraction/acetylene addition (HACA) mechanism has long been viewed as a key route to aromatic ring growth of polycyclic aromatic hydrocarbons (PAHs) in combustion systems. However, doubt has been drawn on the ubiquity of the mechanism by recent electronic structure calculations which predict that the HACA mechanism starting from the naphthyl radical preferentially forms acenaphthylene, thereby blocking cyclization to a third six-membered ring. Here, by probing the products formed in the reaction of 1- and 2-naphthyl radicals in excess acetylene under combustion-like conditions with the help of photoionization mass spectrometry, we provide experimental evidence that this reaction produces 1- and 2-ethynylnaphthalenes (C12 H8 ), acenaphthylene (C12 H8 ) and diethynylnaphthalenes (C14 H8 ). Importantly, neither phenanthrene nor anthracene (C14 H10 ) was found, which indicates that the HACA mechanism does not lead to cyclization of the third aromatic ring as expected but rather undergoes ethynyl substitution reactions instead. PMID:25752687

  12. On assessment of numerical methods for diffusion-combustion flow with fast chemistry

    NASA Astrophysics Data System (ADS)

    Funami, Yuki; Shimada, Toru

    2012-11-01

    Boundary-layer combustion, a major characteristic of a hybrid rocket engine, is a complex phenomenon of fluid dynamics and combustion. Its rate-limiting process is diffusion, whereas combustion reactions are generally very fast. One of numerical approaches for this is to solve simultaneously the Navier-Stokes equations with the transport equation for the mixture fraction. Chemical composition of the combustion gas can be determined by solving local chemical equilibrium for a given flow and mixture fraction fields. The governing equations for a diffusion-combustion flow with fast chemistry are characterized by the convective term, the diffusion term, and the chemical equilibrium calculation. As seen from the numerical methods for these, the convective-flux Jacobian and the numerical flux schemes, upwind higher precision approximation and limiter design, and chemical equilibrium calculation method. This study is focused especially on upwind higher precision approximation method. In this paper, by solving test problems such as quasi-one-dimensional hybrid rocket flow, assessment is made on a variety of numerical methods with respect to precision and convergence.

  13. Formation of oxides of nitrogen in monodisperse spray combustion of hydrocarbon fuels

    NASA Technical Reports Server (NTRS)

    Nizami, A. A.; Singh, S.; Cernansky, N. P.

    1982-01-01

    Experimental results of exit plane NO/NO(x) emissions from atmospheric monodisperse fuel spray combustion are presented. Six different hydrocarbon fuels were studied: isopropanol, n-propanol, n-octane, iso-octane, n-heptane and methanol. The results indicate an optimum droplet size for minimizing NO/NO(x) production for all of the test fuels. At the optimum droplet diameter, reductions in NO/NO(x) relative to the NO(x) occurred at droplet diameters of 55 and 48 microns respectively, as compared to a 50-micron droplet size for isopropanol. The occurrence of the minimum NO(x) point at different droplet diameters for the different fuels appears to be governed by the extent of prevaporization of the fuel in the spray, and is consistent with theoretical calculations based on each fuel's physical properties. Estimates are also given for the behavior of heavy fuels and of polydisperse fuel sprays in shifting the minimum NO(x) point compared to a monodisperse situation.

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

    NASA Technical Reports Server (NTRS)

    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.

  15. Carbon deposition model for oxygen-hydrocarbon combustion. Task 6: Data analysis and formulation of an empirical model

    NASA Technical Reports Server (NTRS)

    Makel, Darby B.; Rosenberg, Sanders D.

    1990-01-01

    The formation and deposition of carbon (soot) was studied in the Carbon Deposition Model for Oxygen-Hydrocarbon Combustion Program. An empirical, 1-D model for predicting soot formation and deposition in LO2/hydrocarbon gas generators/preburners was derived. The experimental data required to anchor the model were identified and a test program to obtain the data was defined. In support of the model development, cold flow mixing experiments using a high injection density injector were performed. The purpose of this investigation was to advance the state-of-the-art in LO2/hydrocarbon gas generator design by developing a reliable engineering model of gas generator operation. The model was formulated to account for the influences of fluid dynamics, chemical kinetics, and gas generator hardware design on soot formation and deposition.

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

    SciTech Connect

    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.

  17. DNA ADDUCTS AS BIOMARKERS FOR ASSESSING EXPOSURE TO POLYCYCLIC AROMATIC HYDROCARBONS IN TISSUES FROM XUAN WEI WOMEN WITH HIGH EXPOSURE TO COAL COMBUSTION

    EPA Science Inventory

    The high lung cancer raze in Xuan Wei, China, is associated with smoky coal use in unvented homes. moky coal combustion emits higher levels of polycyclic aromatic hydrocarbons (PAH) than wood combustion. his study used DNA adducts as a biomarker for human exposure to PAH from com...

  18. Adaptation of Combustion Principles to Aircraft Propulsion. Volume I; Basic Considerations in the Combustion of Hydrocarbon Fuels with Air

    NASA Technical Reports Server (NTRS)

    Barnett, Henry C (Editor); Hibbard, Robert R (Editor)

    1955-01-01

    The report summarizes source material on combustion for flight-propulsion engineers. First, several chapters review fundamental processes such as fuel-air mixture preparation, gas flow and mixing, flammability and ignition, flame propagation in both homogenous and heterogenous media, flame stabilization, combustion oscillations, and smoke and carbon formation. The practical significance and the relation of these processes to theory are presented. A second series of chapters describes the observed performance and design problems of engine combustors of the principal types. An attempt is made to interpret performance in terms of the fundamental processes and theories previously reviewed. Third, the design of high-speed combustion systems is discussed. Combustor design principles that can be established from basic considerations and from experience with actual combustors are described. Finally, future requirements for aircraft engine combustion systems are examined.

  19. On the radiolysis of ethylene ices by energetic electrons and implications to the extraterrestrial hydrocarbon chemistry

    SciTech Connect

    Zhou, Li; Maity, Surajit; Abplanalp, Matt; Turner, Andrew; Kaiser, Ralf I.

    2014-07-20

    The chemical processing of ethylene ices (C{sub 2}H{sub 4}) by energetic electrons was investigated at 11 K to simulate the energy transfer processes and synthesis of new molecules induced by secondary electrons generated in the track of galactic cosmic ray particles. A combination of Fourier transform infrared spectrometry (solid state) and quadrupole mass spectrometry (gas phase) resulted in the identification of six hydrocarbon molecules: methane (CH{sub 4}), the C2 species acetylene (C{sub 2}H{sub 2}), ethane (C{sub 2}H{sub 6}), the ethyl radical (C{sub 2}H{sub 5}), and—for the very first time in ethylene irradiation experiments—the C4 hydrocarbons 1-butene (C{sub 4}H{sub 8}) and n-butane (C{sub 4}H{sub 10}). By tracing the temporal evolution of the newly formed molecules spectroscopically online and in situ, we were also able to fit the kinetic profiles with a system of coupled differential equations, eventually providing mechanistic information, reaction pathways, and rate constants on the radiolysis of ethylene ices and the inherent formation of smaller (C1) and more complex (C2, C4) hydrocarbons involving carbon-hydrogen bond ruptures, atomic hydrogen addition processes, and radical-radical recombination pathways. We also discuss the implications of these results on the hydrocarbon chemistry on Titan's surface and on ice-coated, methane-bearing interstellar grains as present in cold molecular clouds such as TMC-1.

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

    SciTech Connect

    Pratt, D.T.

    1984-04-01

    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.

  1. XPS analysis of combustion aerosols for chemical composition, surface chemistry, and carbon chemical state.

    PubMed

    Vander Wal, Randy L; Bryg, Vicky M; Hays, Michael D

    2011-03-15

    Carbonaceous aerosols can vary in elemental content, surface chemistry, and carbon nano-structure. Each of these properties is related to the details of soot formation. Fuel source, combustion process (affecting formation and growth conditions), and postcombustion exhaust where oxidation occurs all contribute to the physical structure and surface chemistry of soot. Traditionally such physical and chemical parameters have been measured separately by various techniques. Presented here is the unified measurement of these characteristics using X-ray photoelectron spectroscopy (XPS). In the present study, XPS is applied to combustion soot collected from a diesel engine (running biodiesel and pump-grade fuels); jet engine; and institutional, plant, and residential oil-fired boilers. Elemental composition is mapped by a survey scan over a broad energy range. Surface chemistry and carbon nanostructure are quantified by deconvolution of high-resolution scans over the C1s region. This combination of parameters forms a distinct matrix of identifiers for the soots from these sources. PMID:21322576

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

    NASA Technical Reports Server (NTRS)

    Gross, R. S.

    1980-01-01

    A sound data base was established by analytically and experimentally generating basic regenerative cooling, combustion performance, combustion stability, and combustion chamber heat transfer parameters for LOX/HC propellants, with specific application to second generation orbit maneuvering and reaction control systems (OMS/RCS) for the Space Shuttle Orbiter.

  3. FUNDAMENTAL COMBUSTION RESEARCH APPLIED TO POLLUTION FORMATION. VOLUME 2A. PHYSICS AND CHEMISTRY OF TWO-PHASE SYSTEMS: FLAME COMBUSTION PROCESSES

    EPA Science Inventory

    The reports included in the three-part volume describe eight studies by various investigators, to better understand the physics and chemistry of two-phase combustion with respect to pollution formation. Volume IIa describes mechanisms of fuel nitrogen processing in large-scale ut...

  4. Plasma polymerization chemistry of unsaturated hydrocarbons: neutral species identification by mass spectrometry

    NASA Astrophysics Data System (ADS)

    Gillon, X.; Houssiau, L.

    2014-08-01

    Radio frequency discharges ignited in low-pressure and pure hydrocarbon gases were investigated by mass spectrometry. The plasma process was applied to four unsaturated monomers: styrene C8H8, benzene C6H6, ethylene C2H4 and acetylene C2H2. The remote mass spectrometer location restricted species identification to neutral closed-shell molecules in their respective plasmas. Among the peaks in the mass spectra, those directly due to neutrals produced in the plasma were determined following a successful two-step methodology. Firstly, the use of low electron impact energy limited the fragmentation and strongly simplified the cracking patterns. Secondly, attribution of peaks directly due to neutrals was confirmed or ruled out by systematically measuring their appearance potential. In the case of styrene, not less than 48 new molecules were detected. The discussion of the observed stable by-products in each discharge suggested several radicals responsible for their production. Comparing the set of species among the four plasmas showed that the repeated addition of intermediates with one or two carbon atoms and with low H content dominated the chemistry. Under our conditions of intermediate to high W/FM (power over mass flow ratio), the gas-phase plasma polymerization then preferentially occurred through significant fragmentation and recombination. Finally, the measured appearance potentials during plasma provided estimation for the threshold ionization energy of several highly unsaturated hydrocarbons, useful for modeling.

  5. Numerical investigation of a helicopter combustion chamber using LES and tabulated chemistry

    NASA Astrophysics Data System (ADS)

    Auzillon, Pierre; Riber, Elonore; Gicquel, Laurent Y. M.; Gicquel, Olivier; Darabiha, Nasser; Veynante, Denis; Fiorina, Benot

    2013-01-01

    This article presents Large Eddy Simulations (LES) of a realistic aeronautical combustor device: the chamber CTA1 designed by TURBOMECA. Under nominal operating conditions, experiments show hot spots observed on the combustor walls, in the vicinity of the injectors. These high temperature regions disappear when modifying the fuel stream equivalence ratio. In order to account for detailed chemistry effects within LES, the numerical simulation uses the recently developed turbulent combustion model F-TACLES (Filtered TAbulated Chemistry for LES). The principle of this model is first to generate a lookup table where thermochemical variables are computed from a set of filtered laminar unstrained premixed flamelets. To model the interactions between the flame and the turbulence at the subgrid scale, a flame wrinkling analytical model is introduced and the Filtered Density Function (FDF) of the mixture fraction is modeled by a ? function. Filtered thermochemical quantities are stored as a function of three coordinates: the filtered progress variable, the filtered mixture fraction and the mixture fraction subgrid scale variance. The chemical lookup table is then coupled with the LES using a mathematical formalism that ensures an accurate prediction of the flame dynamics. The numerical simulation of the CTA1 chamber with the F-TACLES turbulent combustion model reproduces fairly the temperature fields observed in experiments. In particular the influence of the fuel stream equivalence ratio on the flame position is well captured.

  6. Non-volatile Hydrocarbon Chemistry Studies Around a Production Platform on Australia's Northwest Shelf

    NASA Astrophysics Data System (ADS)

    Burns, K. A.; Codi, S.

    1999-12-01

    In September 1994 and 1995, scientists from the Australian Institute of Marine Science (AIMS) and the Australian Geological Survey Organization (AGSO) conducted surveys aboard the RV Lady Basten to determine the dispersion, fates and effects of produced formation water (PFW) discharged from the ' Harriet A ' oil production platform near the Montebello Islands. This report is one of four related papers and describes the non-volatile hydrocarbon chemistry studies. The dispersion of the PFW into dissolved and particulate fractions of seawater were measured using moored high volume water samplers, surface screen samplers and moored and drifting sediment traps. Bio-accumulation was studied using transplanted oysters, and dispersion measured into sediment with benthic grabs. Results showed enrichment in non-volatile hydrocarbons in surface microlayer samples to a distance of 18 km in the direction of tidal flow. Concentrations in surface microlayers near the platform varied by an order of magnitude and corresponded to when a surface slick was visible or not visible. Concentrations of oil in seawater ranged from 20 to 85 ?g l-1at near stations to 13 ?g l-1at 18 km. Water column samples showed the processes of desorption from particles for soluble components occur within the range of 18 km. Most particulate hydrocarbons drop out of suspension within c. 1 to 2 km from the platform. Fluxes of particulate hydrocarbons through the water column at c. 1 km, as estimated by moored sediment traps in 1995, were 138 to 148 ng cm-2day-1. A decrease in sediment concentrations within c. 1 km of the platform was measured as 245129 ?g g-1dry wt (n=15) in 1994 to 086054 ?g g-1dry wt (n=21) in 1995, after the platform installed a centrifugal separator in the discharge treatment process. Thus the residence time of this relatively low molecular weight oil was estimated in the coarse aerobic sands surrounding the platform to be less than one year. Oysters suspended near the platform bio-accumulated hydrocarbons and other lipophilic organics in their tissues. Uptake rates and bio-concentration factors of hydrocarbons indicated potential toxicity at the near-field stations within c. 1 km radius. A mass balance was constructed to show the partitioning of the input of hydrocarbons from the PFW into the surrounding marine ecosystem. The rates of dissipation processes were estimated as follows: dilution from tidal currents>degradation in the water column>sedimentation>evaporation. The calculations based on maximum concentrations measured in the environmental samples accounted for 85% of the daily input suspended within a 1 km radius. It is estimated that the potential zone of toxic influence in the water column extends to a distance of approximately 1 km. Concentrations of oil in sediments were too low to indicate potential toxicity. By the collaborative application of oceanographic and geochemical techniques to marine environmental problems, we endeavour to provide effective feedback to the oil industry to gauge the effectiveness of their operational strategies in minimizing impact in these pristine regions.

  7. Emission factors and particulate matter size distribution of polycyclic aromatic hydrocarbons from residential coal combustions in rural Northern China

    PubMed Central

    Shen, Guofeng; Wang, Wei; Yang, Yifeng; Zhu, Chen; Min, Yujia; Xue, Miao; Ding, Junnan; Li, Wei; Wang, Bin; Shen, Huizhong; Wang, Rong; Wang, Xilong; Tao, Shu

    2013-01-01

    Coal consumption is one important contributor to energy production, and is regarded as one of the most important sources of air pollutants that have considerable impacts on human health and climate change. Emissions of polycyclic aromatic hydrocarbons (PAHs) from coal combustion were studied in a typical stove. Emission factors (EFs) of 16 EPA priority PAHs from tested coals ranged from 6.25 ± 1.16 mg kg−1 (anthracite) to 253 ± 170 mg kg−1 (bituminous), with NAP and PHE dominated in gaseous and particulate phases, respectively. Size distributions of particulate phase PAHs from tested coals showed that they were mostly associated with particulate matter (PM) with size either between 0.7 and 2.1 μm or less than 0.4 μm (PM0.4). In the latter category, not only were more PAHs present in PM0.4, but also contained higher fractions of high molecular weight PAHs. Generally, there were more than 89% of total particulate phase PAHs associated with PM2.5. Gas-particle partitioning of freshly emitted PAHs from residential coal combustions were thought to be mainly controlled by absorption rather than adsorption, which is similar to those from other sources. Besides, the influence of fuel properties and combustion conditions was further investigated by using stepwise regression analysis, which indicated that almost 57 ± 10% of total variations in PAH EFs can be accounted for by moisture and volatile matter content of coal in residential combustion. PMID:24179437

  8. Emission factors and particulate matter size distribution of polycyclic aromatic hydrocarbons from residential coal combustions in rural Northern China

    NASA Astrophysics Data System (ADS)

    Shen, Guofeng; Wang, Wei; Yang, Yifeng; Zhu, Chen; Min, Yujia; Xue, Miao; Ding, Junnan; Li, Wei; Wang, Bin; Shen, Huizhong; Wang, Rong; Wang, Xilong; Tao, Shu

    2010-12-01

    Coal consumption is one important contributor to energy production, and is regarded as one of the most important sources of air pollutants that have considerable impacts on human health and climate change. Emissions of polycyclic aromatic hydrocarbons (PAHs) from coal combustion were studied in a typical stove. Emission factors (EFs) of 16 EPA priority PAHs from tested coals ranged from 6.25 1.16 mg kg -1 (anthracite) to 253 170 mg kg -1 (bituminous), with NAP and PHE dominated in gaseous and particulate phases, respectively. Size distributions of particulate phase PAHs from tested coals showed that they were mostly associated with particulate matter (PM) with size either between 0.7 and 2.1 ?m or less than 0.4 ?m (PM 0.4). In the latter category, not only were more PAHs present in PM 0.4, but also contained higher fractions of high molecular weight PAHs. Generally, there were more than 89% of total particulate phase PAHs associated with PM 2.5. Gas-particle partitioning of freshly emitted PAHs from residential coal combustions were thought to be mainly controlled by absorption rather than adsorption, which is similar to those from other sources. Besides, the influence of fuel properties and combustion conditions was further investigated by using stepwise regression analysis, which indicated that almost 57 10% of total variations in PAH EFs can be accounted for by moisture and volatile matter content of coal in residential combustion.

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

    NASA Technical Reports Server (NTRS)

    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.

  10. Optimization of burning process of hydrocarbon fuels with varying specific heat of combustion

    NASA Astrophysics Data System (ADS)

    Saifullin, E. R.; Vankov, Yu V.

    2015-06-01

    This article explores the combustion of gaseous fuel in the case of an abrupt change of the specific heat of combustion. Analyzes the changes in the rate of heat when the fuel and air flows are constant. Defines the conditions for which retained the initial rate of heat release and optimal fuel-air ratio.

  11. Reduction of light hydrocarbon combustion mechanisms and speciation study of industrial flares through computational fluid dynamics (CFD) methods

    NASA Astrophysics Data System (ADS)

    Vaid, Hitesh S.

    Industrial ethylene flares are considered to be a probable major source of Volatile Organic Compounds (VOCs) such as formaldehyde. Due to the difficulty and cost of field measurements, currently on-line monitoring is not practical and other methods must be employed. Current methodologies for calculating speciated and total VOC emissions from flaring activities generally apply a simple mass reduction to the VOC species sent to the flare that does not consider the production of incomplete combustion or other intermediates. There arises a need of a speciation study for the inspection of these flares for their emissions. However, most of the detailed kinetic mechanisms for the speciation study of flaring events are too complex, and consist of large numbers of reactions and species, and also are computationally expensive. Thus a reduced mechanism will be desirable for improving computational efficiency. In this dissertation, a 50-species reduced mechanism for simulating ethylene flaring, namely LU1.0, is presented. Then, a 50-species mechanism for C 1-C3 hydrocarbons was developed through exhaustive search. These two algorithms were developed by reducing a detailed mechanism of 93 species and 600 reactions. The reduced mechanisms were validated successfully against literature results of various key performance indicators: laminar flame speeds, adiabatic flame temperature, ignition delay tests and burner stabilized flame. It is demonstrated that simulation results using this reduced mechanism are in good agreement with reported experimental results. This dissertation also presents a novel Run Time Combustion Zoning (RTCZ) technique based on the working principle of Eddy Dissipation Concept (EDC) for combustion modeling. This technique selectively chooses cells in which the full reaction mechanism needs to be solved. The selection criterion is based on the concept of differentiating between combustion and the non-combustion zone. With this approach, considerable reduction in computational load and stability of the solution was observed and even the number of iterations required to achieve a stable solution was significantly reduced.

  12. Hydrocarbon

    NASA Astrophysics Data System (ADS)

    Collett, T. S.; Lorenson, T. D.

    2005-12-01

    Gas hydrates in permafrost regions are believed to be a significant high-latitude reservoir for hydrocarbon gases, including methane which is a ``greenhouse" gas that may play a significant role in global climate warming. Melting permafrost and associated gas hydrates may contribute hydrocarbon ``greenhouse" gases to the atmosphere, however, little is known about the composition or distribution of the natural gases within permafrost. The primary objective of this presentation is to document and compare the composition and source of the hydrocarbon gases associated with gas hydrates both within and immediately below the zone of permafrost in the Prudhoe Bay-Kuparuk River area of northern Alaska. This study included two major geochemical sampling programs in northern Alaska. In the first program the in-situ composition of the gas within and below the zone of permafrost in the Prudhoe Bay-Kuparuk River area was determined, and in the second, a series of surficial geochemical surveys were made over the area of known surficial gas seepage. Geochemical analyses of drill cuttings collected from 11 petroleum industry wells indicate that methane is the principal hydrocarbon gas in the near-surface (0-1,500 m) strata of the North Slope. Stable methane-carbon isotopic analyses of gaseous drill cuttings from several wells suggest that the methane within the permafrost zone is from both microbial and thermogenic sources. To further examine shallow subsurface gas migration and potential atmospheric methane fluxes from permafrost regions, we analyzed the molecular and methane-carbon isotopic composition of the gas from 105 shallow (<2 m) permafrost cores collected across the Eileen fault zone, an area of known surficial gas seepage and more deeply buried gas hydrate occurrence in the Prudhoe Bay-Kuparuk River area. Analyses of these samples yielded high concentrations of methane and other hydrocarbon gases over the surface trace of the Eileen fault zone. Isotopic analysis of methane in the samples collected near the main fault yielded evidence of thermogenic gas. The data from shallow cores, together with the subsurface geochemical data obtained from northern Alaska, confirm that permafrost does control the distribution, volume, and composition of hydrocarbon gases in Arctic regions. In some areas the hydrocarbon gases in ice-bonded permafrost are exclusively microbial in origin, whereas thermogenic gases only occur beneath the ice-bonded interval. In such cases the base of ice-bonded permafrost may act as a trap for free gas accumulations. In other areas, where unique geologic conditions such as faulting occur, thermogenic gases originating from deep hydrocarbon reservoirs may occur within permafrost even at shallow depths. The abundance of both microbial- and thermogenic-sourced gases and their apparent mobility suggests that the melting of permafrost and associated gas hydrate accumulations could release significant volumes of hydrocarbon ``greenhouse" gases to the atmosphere.

  13. Effect of Hydrocarbon Emissions from PCCI-type Combustion on the Performance of Selective Catalytic Reduction Catalysts

    SciTech Connect

    Prikhodko, Vitaly Y; Pihl, Josh A; Lewis Sr, Samuel Arthur; Parks, II, James E

    2012-01-01

    Core samples cut from full size commercial Fe- and Cu-zeolite selective catalytic reduction catalysts were exposed to a slipstream of raw engine exhaust from a 1.9-liter 4-cylinder diesel engine operating in conventional and premixed charge compression ignition (PCCI) combustion modes. Subsequently, the NO{sub x} reduction performance of the exposed catalysts was evaluated on a laboratory bench-reactor fed with simulated exhaust. The Fe-zeolite NO{sub x} conversion efficiency was significantly degraded, especially at low temperatures (<250 C), after the catalyst was exposed to the engine exhaust. The degradation of the Fe-zeolite performance was similar for both combustion modes. The Cu-zeolite was much more resistant to hydrocarbon (HC) fouling than the Fe-zeolite catalyst. In the case of the Cu-zeolite, PCCI exhaust had a more significant impact than the exhaust from conventional combustion on the NO{sub x} conversion efficiency. For all cases, the clean catalyst performance was recovered after heating to 600 C. Gas chromatography mass spectrometry analysis of the HCs adsorbed to the catalyst surface provided insights into the observed NO{sub x} reduction performance trends.

  14. Combustion efficiency and hydrocarbon emissions from charcoal production kilns in the tropics

    SciTech Connect

    Ward, D.E.; Hao, W.M.; Babbitt, R.E.

    1995-12-01

    Charcoal is one of the major energy resources in tropical countries. We investigate the combustion processes in charcoal production kilns in Zambia and Brazil. The Zambian kilns were made of earth and there was sufficient air for combustion inside the kilns. The Brazilian kilns were made of bricks which limited the available oxygen. The combustion efficiency and the concentrations of CO{sub 2}, CO, CH{sub 4}, C{sub 2}-C{sub 6} alkanes and alkenes, and aromatic compounds produced were monitored throughout the combustion processes. The contributions of charcoal production processes to the atmospheric sources of these gases were estimated. The strategies for improving charcoal yield and reducing emissions of carbon-containing compounds are discussed.

  15. Further investigation of the impact of the co-combustion of tire-derived fuel and petroleum coke on the petrology and chemistry of coal combustion products

    SciTech Connect

    Hower, J.C.; Robertson, J.D.; Elswick, E.R.; Roberts, J.M.; Brandsteder, K.; Trimble, A.S.; Mardon, S.M.

    2007-07-01

    A Kentucky cyclone-fired unit burns coal and tire-derived fuel, sometimes in combination with petroleum coke. A parallel pulverized combustion (pc) unit at the same plant burns the same coal, without the added fuels. The petrology, chemistry, and sulfur isotope distribution in the fuel and resulting combustion products was investigated for several configurations of the fuel blend. Zinc and Cd in the combustion products are primarily contributed from the tire-derived fuel, the V and Ni are primarily from the petroleum coke, and the As and Hg are probably largely from the coal. The sulfur isotope distribution in the cyclone unit is complicated due to the varying fuel sources. The electrostatic precipitator (ESP) array in the pc unit shows a subtle trend towards heavier S isotopic ratios in the cooler end of the ESP.

  16. KINETIC MODELING OF NOX FORMATION AND DESTRUCTION AND COMBUSTIBLES BURNOUT

    EPA Science Inventory

    The report describes a model of the gas-phase chemistry involved in the combustion of simple hydrocarbon fuels and the interconversion of fixed nitrogen species. One focus of the work was on modeling the chemistry involved in reburning and other advanced NOx control strategies. A...

  17. Analysis of pollutant chemistry in combustion by in situ pulsed photoacoustic laser diagnostics.

    PubMed

    Stenberg, J; Hernberg, R; Vattulainen, J

    1995-12-20

    A technique for gas analysis based on pulsed-laser-induced photoacoustic spectroscopy in the UV and the visible is presented. The laser-based technique and the associated analysis probe have been developed for the analysis of pollutant chemistry in fluidized beds and other combustion environments with limited or no optical access. The photoacoustic-absorption spectrum of the analyzed gas is measured in a test cell located at the end of a tubular probe. This test cell is subject to the prevailing temperature and pressure in the combustion process. The instrument response has been calibrated for N(2)O, NO, NO(2), NH(3), SO(2), and H(2)S at atmospheric pressure between 20 and 910 C. The response of the probe was found to increase with pressure for N(2)O, NO, NH(3), and NO(2) up to 1.2 MPa pressure. The method and the probe have been used for detection and ranging of gas concentrations in a premixed methane flame. Some preliminary tests in a large 12-MW circulating bed boiler have also been done. PMID:21068961

  18. Analysis of pollutant chemistry in combustion by in situ pulsed photoacoustic laser diagnostics

    NASA Astrophysics Data System (ADS)

    Stenberg, Jari; Hernberg, Rolf; Vattulainen, Juha

    1995-12-01

    A technique for gas analysis based on pulsed-laser-induced photoacoustic spectroscopy in the UV and the visible is presented. The laser-based technique and the associated analysis probe have been developed for the analysis of pollutant chemistry in fluidized beds and other combustion environments with limited or no optical access. The photoacoustic-absorption spectrum of the analyzed gas is measured in a test cell located at the end of a tubular probe. This test cell is subject to the prevailing temperature and pressure in the combustion process. The instrument response has been calibrated for N2O, NO, NO2, NH3, SO2, and H2 S at atmospheric pressure between 20 and 910 deg C. The response of the probe was found to increase with pressure for N2O, NO, NH 3, and NO2 up to 1.2 MPa pressure. The method and the probe have been used for detection and ranging of gas concentrations in a premixed methane flame. Some preliminary tests in a large 12-MW circulating bed boiler have also been done.

  19. Simulating Hydrocarbon Distribution in the Jovian Stratosphere in a Chemistry-Transport Model

    NASA Astrophysics Data System (ADS)

    Zhang, X.; Shia, R.; Allen, M.; Liang, M.; Yung, Y. L.

    2012-12-01

    The chemical and dynamical processes in the stratosphere of Jupiter are poorly known. In this work, we constrain the meridinal transport processes using the latitudinal distributions of ethane and ethylene obtained by the Cassini spacecraft during Jupiter flyby in 2000 (Nixon et al. 2010; Zhang et al., 2012). Previous studies (Kunde et al. 2004; Liang et al., 2005) have suggested that the horizontal transport timescale between 1-10 mbar should fall within 1 to 300 years, i.e., the chemical lifetimes of ethylene and ethane, respectively. But the relative roles of diffusion (eddy-mixing) and advection in the horizontal transport are highly uncertain, as revealed by other tracers such as HCN and CO2 (Lellouch et al., 2006). We introduce a two-dimensional (latitude-pressure) photochemical-diffusive-advective model to simulate the distribution of hydrocarbons in the stratosphere. Analytical solutions, both in one-dimensional (pressure) and two-dimensional coordinates, are derived to gain the physical insight of the coupled chemical-transport processes, and also used for validating the numerical methods. The residual mean circulation derived from the instantaneous radiative forcing during the Cassini flyby (Zhang et al., 2012) is applied to the simulations. The effects of polar aerosol heating and possible chemical sources due to ion chemistry in the aurora regions are discussed.

  20. Interplay between discharge physics, gas phase chemistry and surface processes in hydrocarbon plasmas

    NASA Astrophysics Data System (ADS)

    Hassouni, Khaled

    2013-09-01

    In this paper we present two examples that illustrate two different contexts of the interplay between plasma-surface interaction process and discharge physics and gas phase chemistry in hydrocarbon discharges. In the first example we address the case of diamond deposition processes and illustrate how a detailed investigation of the discharge physics, collisional processes and transport phenomena in the plasma phase make possible to accurately predict the key local-parameters, i.e., species density at the growing substrate, as function of the macroscopic process parameters, thus allowing for a precise control of diamond deposition process. In the second example, we illustrate how the interaction between a rare gas pristine discharge and carbon (graphite) electrode induce a dramatic change on the discharge nature, i.e., composition, ionization kinetics, charge equilibrium, etc., through molecular growth and clustering processes, solid particle formation and dusty plasma generation. Work done in collaboration with Alix Gicquel, Francois Silva, Armelle Michau, Guillaume Lombardi, Xavier Bonnin, Xavier Duten, CNRS, Universite Paris 13.

  1. Initiation mechanisms and kinetics of pyrolysis and combustion of JP-10 hydrocarbon jet fuel.

    PubMed

    Chenoweth, Kimberly; van Duin, Adri C T; Dasgupta, Siddharth; Goddard, William A

    2009-03-01

    In order to investigate the initiation mechanisms and kinetics associated with the pyrolysis of JP-10 (exo-tricyclo[5.2.1.0(2,6)]decane), a single-component hydrocarbon jet fuel, we carried out molecular dynamics (MD) simulations employing the ReaxFF reactive force field. We found that the primary decomposition reactions involve either (1) dissociation of ethylene from JP-10, resulting in the formation of a C(8) hydrocarbon intermediate, or (2) the production of two C(5) hydrocarbons. ReaxFF MD leads to good agreement with experiment for the product distribution as a function of temperature. On the basis of the rate of consumption of JP-10, we calculate an activation energy of 58.4 kcal/mol for the thermal decomposition of this material, which is consistent with a strain-facilitated C-C bond cleavage mechanism in JP-10. This compares well with the experimental value of 62.4 kcal/mol. In addition, we carried out ReaxFF MD studies of the reactive events responsible for oxidation of JP-10. Here we found overall agreement between the thermodynamic energies obtained from ReaxFF and quantum-mechanical calculations, illustrating the usefulness of ReaxFF for studying oxidation of hydrocarbons. The agreement of these results with available experimental observations demonstrates that ReaxFF can provide useful insights into the complicated thermal decomposition and oxidation processes of important hydrocarbon fuels. PMID:19209880

  2. Physics and chemistry of the influence of excited molecules on combustion enhancement.

    PubMed

    Starik, A M; Loukhovitski, B I; Sharipov, A S; Titova, N S

    2015-08-13

    The paper addresses detailed analysis of kinetic processes in the H2-O2, CO-O2 and CH4-O2-reactive systems upon the presence of singlet oxygen molecules O2(a(1)?g) and [Formula: see text] and the influence of the activation of oxygen molecules in electric discharge on the acceleration of ignition in the H2-O2 and CH4-O2 mixtures. The possibility of the intensification of CO oxidation due to excitation of O2 and N2 molecule vibrations and generation of singlet oxygen molecules is also considered. It is shown that the effect of accelerating the ignition strongly depends on the reduced electric field and, as a consequence, on the composition of discharge plasma as well as on the features of chain mechanism development in oxy-fuel systems. It is revealed that the most effective approach for the intensification of CO oxidation both in the moist air and in the products of hydrocarbon combustion in air is the generation of O2(a(1)?g) molecules by electric discharge. Computations showed that the presence of 1% O2(a(1)?g) in the total oxygen allowed one to convert CO to CO2 even at the temperature T=850-900?K in the time of 10(-2)?s. The excitation of O2 and N2 molecule vibrations is less effective for such a conversion. PMID:26170425

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

    SciTech Connect

    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.

  4. Combustion chemistry and flame structure of furan group biofuels using molecular-beam mass spectrometry and gas chromatography - Part I: Furan.

    PubMed

    Liu, Dong; Togb, Casimir; Tran, Luc-Sy; Felsmann, Daniel; Owald, Patrick; Nau, Patrick; Koppmann, Julia; Lackner, Alexander; Glaude, Pierre-Alexandre; Sirjean, Baptiste; Fournet, Ren; Battin-Leclerc, Frdrique; Kohse-Hinghaus, Katharina

    2014-03-01

    Fuels of the furan family, i.e. furan itself, 2-methylfuran (MF), and 2,5-dimethylfuran (DMF) are being proposed as alternatives to hydrocarbon fuels and are potentially accessible from cellulosic biomass. While some experiments and modeling results are becoming available for each of these fuels, a comprehensive experimental and modeling analysis of the three fuels under the same conditions, simulated using the same chemical reaction model, has - to the best of our knowledge - not been attempted before. The present series of three papers, detailing the results obtained in flat flames for each of the three fuels separately, reports experimental data and explores their combustion chemistry using kinetic modeling. The first part of this series focuses on the chemistry of low-pressure furan flames. Two laminar premixed low-pressure (20 and 40 mbar) flat argon-diluted (50%) flames of furan were studied at two equivalence ratios (?=1.0 and 1.7) using an analytical combination of high-resolution electron-ionization molecular-beam mass spectrometry (EI-MBMS) in Bielefeld and gas chromatography (GC) in Nancy. The time-of-flight MBMS with its high mass resolution enables the detection of both stable and reactive species, while the gas chromatograph permits the separation of isomers. Mole fractions of reactants, products, and stable and radical intermediates were measured as a function of the distance to the burner. A single kinetic model was used to predict the flame structure of the three fuels: furan (in this paper), 2-methylfuran (in Part II), and 2,5-dimethylfuran (in Part III). A refined sub-mechanism for furan combustion, based on the work of Tian et al. [Combustion and Flame 158 (2011) 756-773] was developed which was then compared to the present experimental results. Overall, the agreement is encouraging. The main reaction pathways involved in furan combustion were delineated computing the rates of formation and consumption of all species. It is seen that the predominant furan consumption pathway is initiated by H-addition on the carbon atom neighboring the O-atom with acetylene as one of the dominant products. PMID:24518999

  5. Combustion chemistry and flame structure of furan group biofuels using molecular-beam mass spectrometry and gas chromatography Part I: Furan

    PubMed Central

    Liu, Dong; Togb, Casimir; Tran, Luc-Sy; Felsmann, Daniel; Owald, Patrick; Nau, Patrick; Koppmann, Julia; Lackner, Alexander; Glaude, Pierre-Alexandre; Sirjean, Baptiste; Fournet, Ren; Battin-Leclerc, Frdrique; Kohse-Hinghaus, Katharina

    2013-01-01

    Fuels of the furan family, i.e. furan itself, 2-methylfuran (MF), and 2,5-dimethylfuran (DMF) are being proposed as alternatives to hydrocarbon fuels and are potentially accessible from cellulosic biomass. While some experiments and modeling results are becoming available for each of these fuels, a comprehensive experimental and modeling analysis of the three fuels under the same conditions, simulated using the same chemical reaction model, has to the best of our knowledge not been attempted before. The present series of three papers, detailing the results obtained in flat flames for each of the three fuels separately, reports experimental data and explores their combustion chemistry using kinetic modeling. The first part of this series focuses on the chemistry of low-pressure furan flames. Two laminar premixed low-pressure (20 and 40 mbar) flat argon-diluted (50%) flames of furan were studied at two equivalence ratios (?=1.0 and 1.7) using an analytical combination of high-resolution electron-ionization molecular-beam mass spectrometry (EI-MBMS) in Bielefeld and gas chromatography (GC) in Nancy. The time-of-flight MBMS with its high mass resolution enables the detection of both stable and reactive species, while the gas chromatograph permits the separation of isomers. Mole fractions of reactants, products, and stable and radical intermediates were measured as a function of the distance to the burner. A single kinetic model was used to predict the flame structure of the three fuels: furan (in this paper), 2-methylfuran (in Part II), and 2,5-dimethylfuran (in Part III). A refined sub-mechanism for furan combustion, based on the work of Tian et al. [Combustion and Flame 158 (2011) 756-773] was developed which was then compared to the present experimental results. Overall, the agreement is encouraging. The main reaction pathways involved in furan combustion were delineated computing the rates of formation and consumption of all species. It is seen that the predominant furan consumption pathway is initiated by H-addition on the carbon atom neighboring the O-atom with acetylene as one of the dominant products. PMID:24518999

  6. Obtaining polycyclic aromatic hydrocarbon concentration ratios and molecular markers for residential wood combustion: Temuco, a case study.

    PubMed

    Cereceda-Balic, Francisco; Fadic, Ximena; Llanos, Ana L; Dominguez, Ana María; Guevara, Juan L; Vidal, Víctor; Díaz-Robles, Luis A; Schiappacasse, L Nicolás; Etcharren, Pablo

    2012-01-01

    It is known that residential wood combustion (RWC) is an important source of fine particle emissions. The purpose of this work was to characterize the chemical composition of the particulate matter present in the Temuco urban atmosphere during winter, specifically the polycyclic aromatic hydrocarbon (PAH) profile, because PAHs are considered to be among the key compounds in particulate matter toxicity. During the 2008 winter monitoring campaign, samples of particulate matter with aerodynamic diameters of < or = 10 (PM10) and < or = 2.5 (PM2.5) microm were taken on days with contamination episodes. Sixteen U.S. Environmental Protection Agency (EPA) PAH compounds were extracted with toluene and determined by gas chromatography-mass spectrometry (GC-MS). The results show that phenantrene was the predominant compound associated with particulate matter at a concentration range between 300 and 600 ng m(-3), 18 times higher than the second most abundant PAH compound. High-molecular-mass compounds such as dibenz[a,h]anthracene, benzo[g,h,i]perylene, and indeno[1,2,3,c,d]pyrene were also found, but they were minorities in the set. It was recognized from the PAH concentration ratios of the Temuco atmospheric aerosol that the main contamination source was in fact residential wood combustion; although not all the concentration ratios evaluated match the reported reference values, probably due to the kind of biomass used, the characteristics of Chilean heating appliances and climate. PMID:22393809

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

    SciTech Connect

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

    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.

  8. Photochemistry of Saturn's Atmosphere. 1; Hydrocarbon Chemistry and Comparisons with ISO Observations

    NASA Technical Reports Server (NTRS)

    Moses, Julianne I.; Bezard, Bruno; Lellouch, Emmanuel; Gladstone, G. Randall; Feuchtgruber, Helmut; Allen, Mark

    2000-01-01

    To investigate the details of hydrocarbon photochemistry on Saturn, we have developed a one-dimensional diurnally averaged model that couples hydrocarbon and oxygen photochemistry, molecular and eddy diffusion, radiative transfer, and condensation. The model results are compared with observations from the Infrared Space Observatory (ISO) to place tighter constraints on molecular abundances, to better define Saturn's eddy diffusion coefficient profile, and to identify important chemical schemes that control the abundances of the observable hydrocarbons in Saturn's upper atmosphere. From the ISO observations, we determine that the column 12 densities of CH3, CH3C2H, and C4H2 above 10 mbar are 4 (sup +2) (sub -1.5) x 10 (exp 13) cm (sup -2), (1.1 plus or minus 0.3) x 10 (exp 15) cm (exp -2), and (1.2 plus or minus 0.3) x 10 (exp 14) cm (sup -2), respectively. The observed ISO emission features also indicate C2H2 mixing ratios of 1.2 (sup +0.9) (sub -0.6) x 10 (exp -6) at 0.3 mbar and (2.7 plus or minus 0.8) x 10 (exp -7) at 1.4 mbar, and a C2H6 mixing ratio of (9 plus or minus 2.5) x 10 (exp -6) at 0.5 mbar. Upper limits are provided for C2H4, CH2CCH2, C3H8, and C6H2 sensitivity of the model results to variations in the eddy diffusion coefficient profile, the solar flux, the CH4 photolysis branching ratios, the atomic hydrogen influx, and key reaction rates are discussed in detail. We find that C4H2 and CH3C2H are particularly good tracers of important chemical processes and physical conditions in Saturn's upper atmosphere, and C2H6 is a good tracer of the eddy diffusion coefficient in Saturn's lower stratosphere. The eddy diffusion coefficient must be smaller than approximately 3 x 10 (exp 4) sq cm s (sup -1) at pressures greater than 1 mbar in order to reproduce the C2H6 abundance inferred from ISO observations. The eddy diffusion coefficients in the upper stratosphere could be constrained by observations of CH3 radicals if the low-temperature chemistry of CH3 were better understood. We also discuss the implications of our modeling for aerosol formation in Saturn's lower stratosphere-diacetylene, butane, and water condense between approximately 1 and 300 mbar in our model and will dominate stratospheric haze formation at nonauroral latitudes. Our photochemical models will be useful for planning observational sequences and for analyzing data from the upcoming Cassini mission.

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

    SciTech Connect

    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.

  10. Effect of fuel nitrogen and hydrogen content on emissions in hydrocarbon combustion

    NASA Technical Reports Server (NTRS)

    Bittker, D. A.; Wolfbrandt, G.

    1981-01-01

    The results of an investigation of the effect of operating conditions and fuel properties on emission for the two-stage combustion of fuels with significant organic nitrogen content are presented. The way in which the emissions of nitrogen oxides and carbon monoxide are affected by the decreased hydrogen content and the increased organic nitrogen content of coal-derived fuels is discussed. Limited measurements of smoke from the rich-lean combustion of simulated syncrude fuels indicate relatively high smoke emissions in spite of the very lean second-stage burning. This fact, together with the high observed carbon monoxide emissions, suggests that trade-offs will be necessary between the conditions that minimize NOx and those that control CO and smoke emissions.

  11. Chemical Kinetic Reaction Mechanisms for Combustion of Hydrocarbon and Other Types of Chemical Fuels

    DOE Data Explorer

    Reaction mechanisms have been tested and validated extensively through comparisons between computed results and measured data from laboratory experiments (e.g., shock tubes, laminar flames, rapid compression machines, flow reactors, stirred reactors) and from practical systems (e.g., diesel engines, spark-ignition engines, homogeneous charge, compression ignition (HCCI) engines). These kinetic models are used to examine a wide range of combustion systems.

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

    PubMed

    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 secondary furnace (afterburner) must be exercised to minimize the emission of hazardous pollutants. The emissions of soot were also reduced in the afterburner but not drastically. This indicates that soot is indeed resistant to oxidation; thus, it would be best to avoid its formation in the first place. An oxidative pyrolysis temperature of PS in the vicinity of 600 degrees C appears to accomplish exactly that. An additional afterburner treatment at a sufficiently high temperature (1,000 degrees C) may be a suitable setting for minimization of most pollutants. To obtain deeper understanding of chemical processes, the experimental results were qualitatively compared with preliminary predictions of a detailed kinetic model that describes formation and destruction pathways of chemical species including most PAH observed in the present work. The modeling was performed forthe secondary furnace assuming plug-flow conditions therein. The experimentally determined chemical composition at the outlet of the primary furnace was part of the input parameters of the model calculation. PMID:11563660

  13. The use of dynamic adaptive chemistry in combustion simulation of gasoline surrogate fuels

    SciTech Connect

    Liang, Long; Raman, Sumathy; Farrell, John T.; Stevens, John G.

    2009-07-15

    A computationally efficient dynamic adaptive chemistry (DAC) scheme is described that permits on-the-fly mechanism reduction during reactive flow calculations. The scheme reduces a globally valid full mechanism to a locally, instantaneously applicable smaller mechanism. Previously we demonstrated its applicability to homogeneous charge compression ignition (HCCI) problems with n-heptane [L. Liang, J.G. Stevens, J.T. Farrell, Proc. Combust. Inst. 32 (2009) 527-534]. In this work we demonstrate the broader utility of the DAC scheme through the simulation of HCCI and shock tube ignition delay times (IDT) for three gasoline surrogates, including two- and three-component blends of primary reference fuels (PRF) and toluene reference fuels (TRF). Both a detailed 1099-species mechanism and a skeletal 150-species mechanism are investigated as the full mechanism to explore the impact of fuel complexity on the DAC scheme. For all conditions studied, pressure and key species profiles calculated using the DAC scheme are in excellent agreement with the results obtained using the full mechanisms. For the HCCI calculations using the 1099- and 150-species mechanisms, the DAC scheme achieves 70- and 15-fold CPU time reductions, respectively. For the IDT problems, corresponding speed-up factors of 10 and two are obtained. Practical guidance is provided for choosing the search-initiating species set, selecting the threshold, and implementing the DAC scheme in a computational fluid dynamics (CFD) framework. (author)

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

    PubMed

    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 < 100 bar) behind reflected 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 < T5 < 1700 K, 3 < P5 < 16 bar) with ionization energies between 10 and 13 eV. Individual experiments have extremely low signal levels. However, product species and radical intermediates are well-resolved when averaging over hundreds of shots, which is ordinarily impractical in conventional 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. PMID:25594229

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

    SciTech Connect

    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 developed mechanisms and to assess the uncertainties in elementary rate constant evaluations.

  16. Sampling and analysis of hydrocarbons in combustion gases. Annual report, October 1979-September 1980

    SciTech Connect

    Johnson, I.; Myles, K.M.; Siczek, A.A.

    1981-04-01

    The purpose of these studies is to develop a method for the chemical analysis of ultratrace levels of polycyclic organic compounds in the flue gases from fluidized-bed combustors. Methods which have the potential for real time analysis have been studied. Two methods, double mass spectrometry and laser ionization mass spectrometry, appear to be promising. A brief review of current analytical methods has been made. A brief examination of fly ash from fluidized-bed combustion revealed no carcinogenic species although samples collected during fluidized-bed combustor startup were found to be mutagenic.

  17. FUNDAMENTAL COMBUSTION RESEARCH APPLIED TO POLLUTION FORMATION. VOLUME 2B. PHYSICS AND CHEMISTRY OF TWO-PHASE SYSTEMS: DEVOLATILIZATION AND VOLATILE REACTIONS

    EPA Science Inventory

    The reports included in the three-part volume describe eight studies by various investigators, to better understand the physics and chemistry of two-phase combustion with respect to pollution formation. Volume IIb gives information on the influence of various combustion parameter...

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

    PubMed Central

    2013-01-01

    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%. PMID:23289764

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

    NASA Technical Reports Server (NTRS)

    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.

  20. Chemi-ionization produced by the catalytic combustion of a hydrocarbon

    SciTech Connect

    Axford, S.; Cai, W.; Hayhurst, A.N.; Collings, N. )

    1991-11-01

    This paper reports on a mixture of 1000 p.p.m. propane and air that was found to produce gas-phase ions when passed over a platinum filament, heated to {approximately}700{degrees}C or more. The ions were detected by direct sampling into a mass spectrometer. No negative ions were observed-only positively charged ones. It appears that these ions originate from chemi-ionization reactions occurring heterogeneously on the surface of the platinum. However, alkali metal impurities in the platinum contribute to the observed mass spectrum of positive ions. The observed spectra contain the relatively stable ions Na{sup +}, K{sup +}, and H{sub 3}O{sup +} and their hydrates. In fact, the original chemi-ions (possible CHO{sup +}) disappear rapidly and form the more stable ions observed. These studies confirm the usefulness of heated platinum wires for sensing the presence of hydrocarbon gases in air.

  1. HYDROCARBON AND OXIDANT CHEMISTRY OBSERVED AT A SITE NEAR ST. LOUIS

    EPA Science Inventory

    Integrated quantitative gas chromatographic measurements of the nearly one hundred individual hydrocarbons present in ambient air were made to deternime the total non-methane organic burden at a midwest rural site in coordination with halocarbon, oxidant and local meteorological ...

  2. Symposium (International) on Combustion, 19th, Technion Israel Institute of Technology, Haifa, Israel, August 8-13, 1982, Proceedings

    NASA Technical Reports Server (NTRS)

    1982-01-01

    Topics discussed are related to elementary reactions, reaction mechanisms and modeling, laminar flames, flame chemistry, turbulent reacting shear flows, turbulent premixed flames, turbulent combustion measurements, continuous combustors, detonation, detonation and explosion, heterogeneous detonation, propellant combustion, fire-ignition and thermal degradation, fire-flame spread and burning, fire-modeling, spray combustion, and droplet combustion. Coal combustion kinetics and mechanisms are considered along with coal combustion mechanisms and pyrolysis, coal combustion techniques, NOx in coal combustion, gaseous pollutants, soot and PAH, soot and inorganic pollutants, I.C. engine combustion, and ignition and extinction. Attention is given to intricate paths and simple steps in chemical kinetics and combustion, the formation of polycyclic aromatic hydrocarbons by combustion, turbulent flame structure and speed in spark ignition engines, and unresolved problems in SOx, NOx, and soot control in combustion.

  3. Combustion rate limits of hydrogen plus hydrocarbon fuel: Air diffusion flames from an opposed jet burner technique

    NASA Technical Reports Server (NTRS)

    Pellett, Gerald L.; Guerra, Rosemary; Wilson, Lloyd G.; Reeves, Ronald N.; Northam, G. Burton

    1987-01-01

    Combustion of H2/hydrocarbon (HC) fuel mixtures may be considered in certain volume-limited supersonic airbreathing propulsion applications. Effects of HC addition to H2 were evaluated, using a recent argon-bathed, coaxial, tubular opposed jet burner (OJB) technique to measure the extinction limits of counterflow diffusion flames. The OJB flames were formed by a laminar jet of (N2 and/or HC)-diluted H2 mixture opposed by a similar jet of air at ambient conditions. The OJB data, derived from respective binary mixtures of H2 and methane, ethylene, or propane HCs, were used to characterize BLOWOFF and RESTORE. BLOWOFF is a sudden breaking of the dish-shaped OJB flame to a stable torus or ring shape, and RESTORE marks sudden restoration of the central flame by radial inward flame propagation. BLOWOFF is a measure of kinetically-limited flame reactivity/speed under highly stretched, but relatively ideal impingement flow conditions. RESTORE measures inward radial flame propagation rate, which is sensitive to ignition processes in the cool central core. It is concluded that relatively small molar amounts of added HC greatly reduce the reactivity characteristics of counterflow hydrogen-air diffusion flames, for ambient initial conditions.

  4. Emissions of parent, nitrated, and oxygenated polycyclic aromatic hydrocarbons from indoor corn straw burning in normal and controlled combustion conditions.

    PubMed

    Shen, Guofeng; Xue, Miao; Wei, Siye; Chen, Yuanchen; Wang, Bin; Wang, Rong; Lv, Yan; Shen, Huizhong; Li, Wei; Zhang, Yanyan; Huang, Ye; Chen, Han; Wei, Wen; Zhao, Qiuyue; Li, Bing; Wu, Haisuo; Tao, Shu

    2013-10-01

    Emission factors (EFs) of parent polycyclic aromatic hydrocarbons (pPAHs), nitrated PAHs (nPAHs), and oxygenated PAHs (oPAHs) were measured for indoor corn straw burned in a brick cooking stove under different burning conditions. The EFs of total 28 pPAHs, 6 nPAHs and 4 oPAHs were (7.9 +/- 3.4), (6.5 +/- 1.6) x 10(-3), and (6.1 +/- 1.4) x 10(-1) mg/kg, respectively. Fuel charge size had insignificant influence on the pollutant emissions. Measured EFs increased significantly in a fast burning due to the oxygen deficient atmosphere formed in the stove chamber. In both restricted and enhanced air supply conditions, the EFs of pPAHs, nPAHs and oPAHs were significantly higher than those measured in normal burning conditions. Though EFs varied among different burning conditions, the composition profiles and calculated isomer ratios were similar, without significant differences. The results from the stepwise regression model showed that fuel burning rate, air supply amount, and modified combustion efficiency were the three most significant influencing factors, explaining 72%-85% of the total variations. PMID:24494494

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

    NASA Technical Reports Server (NTRS)

    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.

  6. Effect of fuel nitrogen and hydrogen content on emissions in hydrocarbon combustion

    NASA Technical Reports Server (NTRS)

    Bittker, D. A.; Wolfbrandt, G.

    1981-01-01

    How the emissions of nitrogen oxides and carbon monoxide are affected by: (1) the decreased hydrogen content and (2) the increased organic nitrogen content of coal derived fuels is investigated. Previous CRT experimental work in a two stage flame tube has shown the effectiveness of rich lean two stage combustion in reducing fuel nitrogen conversion to nitrogen oxides. Previous theoretical work gave preliminary indications that emissions trends from the flame tube experiment could be predicted by a two stage, well stirred reactor combustor model using a detailed chemical mechanism for propane oxidation and nitrogen oxide formation. Additional computations are reported and comparisons with experimental results for two additional fuels and a wide range of operating conditions are given. Fuels used in the modeling are pure propane, a propane toluene mixture and pure toluene. These give hydrogen contents 18, 11 and 9 percent by weight, respectively. Fuel bound nitrogen contents of 0.5 and 1.0 percent were used. Results are presented for oxides of nitrogen and also carbon monoxide concentrations as a function of primary equivalence ratio, hydrogen content and fuel bound nitrogen content.

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

    PubMed

    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. PMID:10781720

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

    ERIC Educational Resources Information Center

    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…

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

    ERIC Educational Resources Information Center

    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

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

    SciTech Connect

    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 mixtures and compared with sodium-based binary and higher order systems. Predictions and measurements were demonstrated for both salt systems and for some more complex silicate-bearing systems, substantially exceeding the original scope of this work. 4. A multi-dimensional model of char bed reactivity developed under this project demonstrated that essentially all reactions in char beds occur on or near the surface, with the internal portions of the bed being essentially inert. The model predicted composition, temperature, and velocity profiles in the bed and showed that air jet penetration is limited to the immediate vicinity of the char bed, with minimal impact on most of the bed. The modeling efforts substantially exceeded the original scope of this project. 5. Near the completion of this project, DOE withdrew the BYU portion of a multiparty agreement to complete this and additional work with no advanced warning, which compromised the integration of all of this material into a commercial computer code. However, substantial computer simulations of much of this work were initiated, but not completed. 6. The gasification modeling is nearly completed but was aborted near its completion according to a DOE redirection of funds. This affected both this and the previous tasks.

  11. CHEMISTRY OF SECONDARY ORGANIC AEROSOL FORMATION FROM THE OXIDATION OF AROMATIC HYDROCARBONS

    EPA Science Inventory

    The experimental data obtained in this project will include reaction rate constants, product branching ratios, and yields of gas-phase and particle-phase products and SOA from OH radical-initiated reactions of aromatic hydrocarbons. These data will be used by atmospheric model...

  12. A Complete Understanding of Hydrocarbon Chemistry in Titan's Atmosphere: from C-1 to C-3

    NASA Astrophysics Data System (ADS)

    Li, Cheng; Zhang, Xi; Yung, Yuk L.

    2014-11-01

    Propene (C3H6) has been missing from detection in Titan’s stratosphere for nearly 30 years until recently it is unveiled by the Composite Infrared Spectrometer (CIRS) onboard Cassini spacecraft (Nixon et al., 2013). A one-dimensional photochemical model of Titan with an updated eddy diffusion profile (Li. et al., 2014) is used to study its vertical profile. We find that the stratospheric mixing ratio of propene peaks at 100 km with a value of 3×10^(-9), which is in good agreement with the Cassini observation. Another important species that is missing from the hydrocarbon family in Titan’s stratosphere is allene (CH2CCH2), which is an isomer of propyne. Based on the photochemical model, we provide the evidence that its abundance is on the margin of detection limit. We suggest further effort in detecting allene, which will complete the family of C-3 hydrocarbons.

  13. Photolytic formation of free radicals and their effect on hydrocarbon pyrolysis chemistry in a concentrated solar environment

    SciTech Connect

    Hunjan, M.S.; Mok, W.S.L.; Antal, M.J. Jr. . Dept. of Mechanical Engineering)

    1989-08-01

    High-energy photons present in concentrated sunlight can be used to photolytically dissociate certain vapor-phase compounds known to be sources of free radicals. These free radicals can subsequently initiate or influence pyrolysis reactions involving hydrocarbons. Experiments were conducted in a vapor-phase, tubular flow reactor placed at the focus of a 1-kW arc image furnace, which acted as a source of simulated concentrated sunlight. Experimentally observed rates of acetone photolysis were in close agreement with the values predicted by employing the Beer-Lambert law. By the use of acetone as a photosensitizing agent, the photosensitized pyrolysis chemistry of n-butane, at 350{sup 0}C, was studied. Without photosensitization, no pyrolysis was observed. With photosensitization, a modest (2-4%) conversion of n-butane to butane, hexene, propene, and other hydrocarbons was achieved. Numerical simulations of the photosensitized pyrolysis behavior provided results similar to the experimental observations. The results of numerical simulations at higher temperatures lead the authors to conclude that major photosensitization effects may be observed at temperatures between 400 and 500{sup 0}C.

  14. Fundamentals of Gas Turbine combustion

    NASA Technical Reports Server (NTRS)

    Gerstein, M.

    1979-01-01

    Combustion problems and research recommendations are discussed in the areas of atomization and vaporization, combustion chemistry, combustion dynamics, and combustion modelling. The recommendations considered of highest priority in these areas are presented.

  15. Photolytic formation of free radicals and their effect on hydrocarbon pyrolysis chemistry in a concentrated solar environment: Final report

    SciTech Connect

    Hunjan, M.; Mok, W.S.; Antal, M.J. Jr.

    1987-01-01

    The objective of this research was two-fold: (1) to determine whether uv photons available in a concentrated solar environment can be used as a photolytic source to dissociate vapor phase acetone; and (2) to explore the effects of photolysis on rate and selectivity of free radical reactions. The experiments were conducted in a 1 kW arc image furnace/tubular flow reactor system. The results obtained conclusively showed that acetone readily photodissociates in a 1000 sun environment, leading to the formation of free radicals. It was further observed that Beer-Lambert law can be used to predict the rate of photolysis of acetone. Furthermore, acetone, when used as source of methyl radicals, sensitized the reaction chemistry of alkanes and alkenes at a temperature of 350/sup 0/C. The methyl radicals from photolysis of acetone enhanced the cracking reactions of the alkanes yielding smaller alkanes and alkenes. When the initial hydrocarbon reactant was an alkene, a sensitization of the addition reaction was observed leading to formation of next higher alkene. To gain a theoretical insight into the reaction chemistry of alkanes, a numerical simulation model was developed to study the photosensitized decomposition of n-butane and the simulation results thus obtained were found to be in close agreement with experimental results. 64 refs., 10 figs., 22 tabs.

  16. Program on the combustion chemistry of low- and intermediate-Btu gas mixtures

    SciTech Connect

    Not Available

    1981-11-30

    Low and intermediate Btu (LBTU and IBTU) gas mixtures are essentially mixtures of CO, H/sub 2/ and CH/sub 4/ diluted with nitrogen and CO/sub 2/. Although the combustion properties of these three fuels have been extensively investigated and their individual combustion kinetics are reasonably well established, prediction techniques for applying these gas mixtures remain for the most part empirical. This program has aimed to bring together and apply some of the fundamental combustion parameters to the CO-H/sub 2/-CH/sub 4/ flame system with the hope of reducing some of this empiricism. Four topical reports have resulted from this program. This final report summarizes these reports and other activities undertaken in this program. This program was initiated June 22, 1976 under ERDA Contract No. E(49-18)-2406 and was later continued under DOE/PETC and DOE Contract No. DE-AC22-76ET10653.

  17. Linking molecular level chemistry to macroscopic combustion behavior for nano-energetic materials with halogen containing oxides

    NASA Astrophysics Data System (ADS)

    Farley, Cory W.; Pantoya, Michelle L.; Losada, Martin; Chaudhuri, Santanu

    2013-08-01

    Coupling molecular scale reaction kinetics with macroscopic combustion behavior is critical to understanding the influences of intermediate chemistry on energy propagation, yet bridging this multi-scale gap is challenging. This study integrates ab initio quantum chemical calculations and condensed phase density functional theory to elucidate factors contributing to experimentally measured high flame speeds (i.e., >900 m/s) associated with halogen based energetic composites, such as aluminum (Al) and iodine pentoxide (I2O5). Experiments show a direct correlation between apparent activation energy and flame speed suggesting that flame speed is directly influenced by chemical kinetics. Toward this end, the first principle simulations resolve key exothermic surface and intermediate chemistries contributing toward the kinetics that promote high flame speeds. Linking molecular level exothermicity to macroscopic experimental investigations provides insight into the unique role of the alumina oxide shell passivating aluminum particles. In the case of Al reacting with I2O5, the alumina shell promotes exothermic surface chemistries that reduce activation energy and increase flame speed. This finding is in contrast to Al reaction with metal oxides that show the alumina shell does not participate exothermically in the reaction.

  18. Plasma Chemistry in remote Ar/C_2H2 plasma and hydrocarbon growth precursors

    NASA Astrophysics Data System (ADS)

    Benedikt, Jan; Agarwal, Sumit; van de Sanden, Richard

    2004-09-01

    Threshold ionization mass spectrometry (TIMS), an ultra high sensitive radical detection technique, is successfully applied to the remote Ar/C_2H2 expanding thermal plasma in order to study the C_2H2 chemistry and the growth mechanism of hydrogenated amorphous carbon films (a-C:H). The radicals such as C_2H or C_3Hy (y=0..2) are measured. A plasma chemistry model is created in order to reveal dominant plasma chemistry channels. The film growth rate and film properties are determined additionally by different experimental techniques. It is shown that C, CH, C2 and C_2H radicals formed in the primary decomposition of C_2H_2, usually suggested as depositing species, play a minor role in the film growth due to their high reactivity in the gas phase with C_2H_2. Radicals such us C3 and C_3H, which are produced in secondary reactions involving C_2H_2, are the probable growth precursors. These radicals are resonantly stabilized, which allows them to survive in the C_2H_2-rich environment. The results provide valuable information about possible radical growth precursors and they can help to understand the a-C:H formation e.g. in future fusion reactors where the tritium redeposition will be one of the major research issues.

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

    SciTech Connect

    Im, Hong G; Trouve, Arnaud; Rutland, Christopher J; Chen, Jacqueline H

    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.

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

    SciTech Connect

    Hong G. Im; Arnaud Trouve; Christopher J. Rutland; Jacqueline H. Chen

    2009-02-02

    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.

  1. Extended Lagrangian quantum molecular dynamics simulations of shock-induced chemistry in hydrocarbons

    SciTech Connect

    Sanville, Edward J; Bock, Nicolas; Challacombe, William M; Cawkwell, Marc J; Niklasson, Anders M N; Dattelbaum, Dana M; Sheffield, Stephen; Sewell, Thomas D

    2010-01-01

    A set of interatomic potentials for hydrocarbons that are based upon the self-consistent charge transfer tight-binding approximation to density functional theory have been developed and implemented into the quantum molecular dynamics code ''LATTE''. The interatomic potentials exhibit an outstanding level of transferability and have been applied in molecular dynamics simulations of tert-butylacetylene under thermodynamic conditions that correspond to its single-shock Hugoniot. We have achieved precise conservation of the total energy during microcanonical molecular dynamics trajectories under incomplete convergence via the extended Lagrangian Born-Oppenheimer molecular dynamics formalism. In good agreement with the results of a series of flyer-plate impact experiments, our SCC-TB molecular dynamics simulations show that tert-butylactylene molecules polymerize at shock pressures around 6.1 GPa.

  2. Low-temperature combustion chemistry of biofuels: pathways in the initial low-temperature (550 K-750 K) oxidation chemistry of isopentanol.

    PubMed

    Welz, Oliver; Zdor, Judit; Savee, John D; Ng, Martin Y; Meloni, Giovanni; Fernandes, Ravi X; Sheps, Leonid; Simmons, Blake A; Lee, Taek Soon; Osborn, David L; Taatjes, Craig A

    2012-03-01

    The branched C(5) alcohol isopentanol (3-methylbutan-1-ol) has shown promise as a potential biofuel both because of new advanced biochemical routes for its production and because of its combustion characteristics, in particular as a fuel for homogeneous-charge compression ignition (HCCI) or related strategies. In the present work, the fundamental autoignition chemistry of isopentanol is investigated by using the technique of pulsed-photolytic Cl-initiated oxidation and by analyzing the reacting mixture by time-resolved tunable synchrotron photoionization mass spectrometry in low-pressure (8 Torr) experiments in the 550-750 K temperature range. The mass-spectrometric experiments reveal a rich chemistry for the initial steps of isopentanol oxidation and give new insight into the low-temperature oxidation mechanism of medium-chain alcohols. Formation of isopentanal (3-methylbutanal) and unsaturated alcohols (including enols) associated with HO(2) production was observed. Cyclic ether channels are not observed, although such channels dominate OH formation in alkane oxidation. Rather, products are observed that correspond to formation of OH via?-C-C bond fission pathways of QOOH species derived from ?- and ?-hydroxyisopentylperoxy (RO(2)) radicals. In these pathways, internal hydrogen abstraction in the RO(2)? QOOH isomerization reaction takes place from either the -OH group or the C-H bond in ?-position to the -OH group. These pathways should be broadly characteristic for longer-chain alcohol oxidation. Isomer-resolved branching ratios are deduced, showing evolution of the main products from 550 to 750 K, which can be qualitatively explained by the dominance of RO(2) chemistry at lower temperature and hydroxyisopentyl decomposition at higher temperature. PMID:22286869

  3. Constraints on emissions of hydrocarbons and combustion tracers in the Colorado Front Range using observations of 14CO2 at the Boulder Atmospheric Observatory (BAO)

    NASA Astrophysics Data System (ADS)

    LaFranchi, B. W.; Petron, G.; Miller, J. B.; Lehman, S. J.; Andrews, A. E.; Dlugokencky, E. J.; Miller, B. R.; Montzka, S. A.; Turnbull, J. C.; Tans, P. P.; Guilderson, T. P.

    2011-12-01

    Bottom-up inventories of trace gases formed as a byproduct of fossil fuel combustion have significant uncertainty associated with them because of the difficulty in quantifying the relationship between the mass of fuel consumed and the mass emitted; this is in contrast to the near stoichiometric production of CO2 from the combustion of hydrocarbons. Emissions of species such as CO, CH4, acetylene, and benzene depend greatly on a number of variables including fuel type, combustion temperature, oxidant-to-fuel ratio, and post-combustion tail-pipe or flue-stack "scrubbing". Given the impact of many of these combustion by-products on air quality, human health, and climate, atmospheric observations are necessary in order to critically evaluate bottom-up emissions estimates. Atmospheric radiocarbon (14C) represents an important observational constraint on emissions of fossil-fuel derived carbon into the atmosphere due to the near absence of 14C in fossil fuel reservoirs. The high sensitivity and precision that accelerator mass spectrometry (AMS) affords in atmospheric 14C analysis has greatly increased the potential for using such measurements to verify bottom-up emissions inventories of fossil fuel CO2 (CO2ff), as well as other co-emitted species. Here we use observations of 14CO2 and a series of hydrocarbons and combustion tracers from the Boulder Atmospheric Observatory (BAO; Lat: 40.050o, Lon: -105.004o) to derive emission ratios of each species to CO2. From these emission ratios, we estimate absolute emission fluxes of these species by using an existing CO2ff inventory. Among the species considered are CO, CH4, acetylene (C2H2), benzene (C6H6), and C3-C5 alkanes. Comparisons of top-down emissions estimates are made to existing inventories of these species for the region, where available, as well as to previous efforts to estimate emissions from atmospheric observations in the Colorado Front Range.We find that CO is overestimated in the NEI 2008 by a factor of ~2; a close evaluation of the inventory suggests that the CO emissions per unit fuel burned from on-road gasoline vehicles is likely significantly over-estimated. Emissions estimates of CH4 and the C3-C5 alkanes from gas and oil drilling and processing operations to the north and east of the BAO tower are in good agreement with previous top-down estimates for the region.

  4. Combustion. Second edition

    SciTech Connect

    Glassman, I.

    1986-01-01

    This book describes the fundamental physical and chemical phenomena underlying the basic aspects of combustion. Major topics include: hydrocarbon oxidation processes; diffusion flames and surface combustion; premixed laminar and turbulent flame phenomena; environmental combustion considerations-NO/sub x/, SO/sub x/, and soot; and combustion thermodynamics and kinetics.

  5. FUNDAMENTAL COMBUSTION RESEARCH APPLIED TO POLLUTION FORMATION. VOLUME 2C. PHYSICS AND CHEMISTRY OF TWO-PHASE SYSTEMS: HETEROGENEOUS NO REDUCTION

    EPA Science Inventory

    The reports included in the three-part volume describe eight studies by various investigators, to better understand the physics and chemistry of two-phase combustion with respect to pollution formation. Volume IIc gives information on the kinetic rates and mechanisms of nitrogen ...

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

    SciTech Connect

    Raghurama Reddy; Roberto Gomez; Junwoo Lim; Yang Wang; Sergiu Sanielevici

    2004-10-15

    This SciDAC project enabled a multidisciplinary research consortium to develop a high fidelity direct numerical simulation (DNS) software package for the simulation of turbulent reactive flows. Within this collaboration, the authors, based at CMU's Pittsburgh Supercomputing Center (PSC), focused on extensive new developments in Sandia National Laboratories' "S3D" software to address more realistic combustion features and geometries while exploiting Terascale computational possibilities. This work significantly advances the state-of-the-art of DNS of turbulent reacting flows.

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

    PubMed

    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. PMID:24265245

  8. Comparison of numerical techniques for integration of stiff ordinary differential equations arising in combustion chemistry

    NASA Technical Reports Server (NTRS)

    Radhakrishnan, K.

    1984-01-01

    The efficiency and accuracy of several algorithms recently developed for the efficient numerical integration of stiff ordinary differential equations are compared. The methods examined include two general-purpose codes, EPISODE and LSODE, and three codes (CHEMEQ, CREK1D, and GCKP84) developed specifically to integrate chemical kinetic rate equations. The codes are applied to two test problems drawn from combustion kinetics. The comparisons show that LSODE is the fastest code currently available for the integration of combustion kinetic rate equations. An important finding is that an interactive solution of the algebraic energy conservation equation to compute the temperature does not result in significant errors. In addition, this method is more efficient than evaluating the temperature by integrating its time derivative. Significant reductions in computational work are realized by updating the rate constants (k = at(supra N) N exp(-E/RT) only when the temperature change exceeds an amount delta T that is problem dependent. An approximate expression for the automatic evaluation of delta T is derived and is shown to result in increased efficiency.

  9. Spatially Resolved L-C3H+ Emission in the Horsehead Photodissociation Region: Further Evidence for a Top-Down Hydrocarbon Chemistry

    NASA Astrophysics Data System (ADS)

    Guzmn, V. V.; Pety, J.; Goicoechea, J. R.; Gerin, M.; Roueff, E.; Gratier, P.; berg, K. I.

    2015-02-01

    Small hydrocarbons, such as C2H, C3H, and C3H2 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-C3H+, in the Horsehead PDR with the Plateau de Bure Interferometer at high-angular resolution (6?). We compare with previous observations of C2H and c-C3H2 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-C3H+, C2H, and c-C3H2 abundances are consistent with current gas-phase model predictions. However, in the first PDR layers, at the 7.7 ?m polycyclic aromatic hydrocarbon band emission peak, which are more exposed to the radiation field and where the density is lower, the C2H and c-C3H2 abundances are underestimated by an order of magnitude. At this position, the l-C3H+ abundance is also underpredicted by the model but only by a factor of a few. In addition, contrary to the model predictions, l-C3H+ peaks further out in the PDR than the other hydrocarbons, C2H and c-C3H2. 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. Based on observations obtained with the IRAM Plateau de Bure interferometer and 30 m telescope. IRAM is supported by INSU/CNRS (France), MPG (Germany), and IGN (Spain).

  10. Bacterial and human cell mutagenicity study of some C18H10 cyclopenta-fused polycyclic aromatic hydrocarbons associated with fossil fuels combustion.

    PubMed Central

    Lafleur, A L; Longwell, J P; Marr, J A; Monchamp, P A; Plummer, E F; Thilly, W G; Mulder, P P; Boere, B B; Cornelisse, J; Lugtenburg, J

    1993-01-01

    A number of isomeric C18H10 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 C18H10 CP-PAHs: benzo[ghi]fluoranthene (BF), cyclopenta[cd]pyrene (CPP), cyclopent[hi]acephenanthrylene (CPAP), and cyclopent[hi]aceanthrylene (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 C18H10 species often found in combustion and pyrolysis samples. Chemical analysis of selected combustion and pyrolysis samples showed that CPP was generally the most abundant C18H10 isomer, followed by CPAP and BF. CPAA was detected only in pyrolysis products from pure PAHs. We tested the four C18H10 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 acephenanthyrlene. Although the mutagenicities of CPAP and acephenanthrylene are similar, the mutagenic activity of CPAA is an order of magnitude greater than that of aceanthyrlene. PMID:8354201

  11. Terascale High-Fidelity Simulations of Turbulent Combustion with Detailed Chemistry: Spray Simulations

    SciTech Connect

    Rutland, Christopher J.

    2009-04-26

    The Terascale High-Fidelity Simulations of Turbulent Combustion (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 the approach is direct numerical simulation (DNS) featuring the 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. Under this component of the TSTC program the simulation code named S3D, developed and shared with coworkers at Sandia National Laboratories, has been enhanced with new numerical algorithms and physical models to provide predictive capabilities for turbulent liquid fuel spray dynamics. Major accomplishments include improved fundamental understanding of mixing and auto-ignition in multi-phase turbulent reactant mixtures and turbulent fuel injection spray jets.

  12. THERMOCHEMISTRY OF HYDROCARBON RADICALS

    SciTech Connect

    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.

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

    NASA Technical Reports Server (NTRS)

    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.

  14. Finite rate chemistry and presumed PDF models for premixed turbulent combustion

    SciTech Connect

    Bray, K.N.C.; Swaminathan, N.; Champion, M.; Libby, P.A.

    2006-09-15

    The sensitivity of the prediction of mean reaction rates in turbulent premixed flames to presumed PDF shape is studied. Three different presumed PDF shapes are considered: (i) a beta function PDF, (ii) a twin delta function PDF, and (iii) a PDF based on unstrained laminar flame properties. The unstrained laminar flame has the same thermochemistry as the turbulent flame. Emphasis is placed on capturing the finite rate chemistry effects and obtaining a simple expression for the mean reaction rate. It is shown that, as the PDFs approach their bimodal limit, the mean reaction rate expressions obtained using the above three PDFs reduce to a common form. These expressions differ only in the numerical value of a multiplying factor. Predictions are compared with DNS data. Under the conditions of this comparison, the beta function and twin delta function PDFs lead to significant errors, while the PDF based on properties of an unstrained laminar flame gives good agreement with the DNS. (author)

  15. Health effects of combustion-generated soot and polycyclic aromatic hydrocarbons. Progress report, May 1, 1980-April 30, 1981

    SciTech Connect

    Thilly, W.G.

    1981-05-01

    Major progress has been made during 1980 in the development and conception of more useful human cell assays for genetic damage, in the identification of the major contributors to mutation of human cells by combustion effluents and in extending the use of the systems previously developed to the study of the mechanisms of chemical mutation of human cells.

  16. Evaluation of joint probability density function models for turbulent nonpremixed combustion with complex chemistry

    NASA Technical Reports Server (NTRS)

    Smith, N. S. A.; Frolov, S. M.; Bowman, C. T.

    1996-01-01

    Two types of mixing sub-models are evaluated in connection with a joint-scalar probability density function method for turbulent nonpremixed combustion. Model calculations are made and compared to simulation results for homogeneously distributed methane-air reaction zones mixing and reacting in decaying turbulence within a two-dimensional enclosed domain. The comparison is arranged to ensure that both the simulation and model calculations a) make use of exactly the same chemical mechanism, b) do not involve non-unity Lewis number transport of species, and c) are free from radiation loss. The modified Curl mixing sub-model was found to provide superior predictive accuracy over the simple relaxation-to-mean submodel in the case studied. Accuracy to within 10-20% was found for global means of major species and temperature; however, nitric oxide prediction accuracy was lower and highly dependent on the choice of mixing sub-model. Both mixing submodels were found to produce non-physical mixing behavior for mixture fractions removed from the immediate reaction zone. A suggestion for a further modified Curl mixing sub-model is made in connection with earlier work done in the field.

  17. Chemistry of the system: Al2O3(c)minus HCL aqueous. [chemical reactions resulting from propellant combustion of rocket propellants

    NASA Technical Reports Server (NTRS)

    Tyree, S. Y., Jr.

    1975-01-01

    In order to study exhaust gas chemistry for the space shuttle, the vapor pressure of 2 to 1 weight mixtures of 3-M hydrochloric acid and Al2O3 was studied over a l80 minute reaction period at 31 C. The Al2O3 sample was one of high surface area furnished by NASA Langley Research Center. A brief review is given for aqueous aluminum chemistry, and the chemical reactions of combustion products (exhaust gases) of aluminum propellant binders for the space shuttle are listed.

  18. Polynuclear aromatic hydrocarbon and particulate emissions from two-stage combustion of polystyrene: the effects of the secondary furnace (afterburner) temperature and soot filtration.

    PubMed

    Wang, Jun; Richter, Henning; Howard, Jack B; Levendis, Yiannis A; Carlson, Joel

    2002-02-15

    Laboratory experiments were conducted in a two-stage horizontal muffle furnace in order to monitor emissions from batch combustion of polystyrene (PS) and identify conditions that minimize them. PS is a dominant component of municipal and hospital waste streams. Bench-scale combustion of small samples (0.5 g) of shredded styrofoam cups was conducted in air, using an electrically heated horizontal muffle furnace, kept at Tgas = 1000 degrees C. Upon devolatilization, combustion of the polymer took place in a diffusion flame over the sample. The gaseous combustion products were mixed with additional air in a venturi and were channeled to a secondary muffle furnace (afterburner) kept at Tgas = 900-1100 degrees C; residence time therein varied between 0.6 and 0.8 s. At the exits of the primary and the secondary furnace the emissions of CO, CO2, O2, NOx, particulates as well as volatile and semivolatile hydrocarbons, such as polycyclic aromatic hydrocarbons (PAH), were monitored. Online analyzers, gravimetric techniques, and gas chromatography coupled to mass spectrometry (GC-MS) were used. Experiments were also conducted with a high-temperature barrier filter, placed just before the exit of the primary furnace to prevent the particulates from entering into the secondary furnace. Results demonstrated the beneficial effect of the afterburner in reducing PAH concentrations, including those of mutagenic species such as benzo[a]pyrene. Concentrations of individual PAH exhibited a pronounced after burner temperature dependence, typically ranging from a small decrease at 900 degrees C to a larger degree of consumption at 1100 degrees C. Consumption of PAH was observed to be the dominant feature at 900 degrees C, while significant quantities of benzene and some of its derivatives, captured by means of carbosieve/Carbotrap adsorbents, were formed in the afterburner at a temperature of 1000 degrees C. In the primary furnace, about 30% of the mass of the initial polystyrene was converted into soot, while the total mass of PAH represented about 3% of the initial mass of combustible. The afterburner reduced the particulate (soot) emissions by only 20-30%, which indicates that once soot is formed its destruction is rather difficult because its oxidation kinetics are slow undertypical furnace conditions. Moreover, increasing the afterburnertemperature resulted in an increasing trend of soot emissions therefrom, which might indicate competition between soot oxidation and formation, with some additional formation occurring at the higher temperatures. Contrary to the limited effect of the afterburner, high-temperature filtration of the combustion effluent prior to the exit of the primary furnace allowed for effective soot oxidation inside of the ceramic filter. Filtration drastically reduced soot emissions, by more than 90%. Limited soot formation in the afterburner was again observed with increasing temperatures. The yields of both CO and CO2 were largely unaffected by the temperature of the afterburner but increased at the presence of the filter indicating oxidation therein. A previously developed kinetic model was used to identify major chemical reaction pathways involving PAH in the afterburner. The experimental data at the exit of the primary furnace was used as input to these model computations. A first evaluation of the predictive capability of the model was conducted for the case with ceramic filter and a temperature of 900 degrees C. The afterburner was approximated as a plug-flow reactor, and model predictions at a residence time of 0.8 s were compared to experimental data collected at its exit. In agreement with the experimental PAH concentration, only a minor impact of the afterburner treatment was observed for most species at 900 degrees C. OH was deduced to be the major reactant with a mole fraction about 4 orders of magnitudes higher than that of hydrogen radicals. Evidence for the need of further work on the quantitative assessment of oxidation of PAH and their radicals is given. PMID:11878400

  19. Effect of Hydrocarbon Emissions From PCCI-Type Combustion On The Performance of Selective Catalytic Reduction Catalysts

    SciTech Connect

    Prikhodko, Vitaly Y; Pihl, Josh A; Lewis Sr, Samuel Arthur; Parks, II, James E

    2011-01-01

    Core samples cut from full size commercial Fe-and Cu-zeolite SCR catalysts were exposed to a slipstream of raw engine exhaust from a 1.9-liter 4-cylinder diesel engine operating in conventional and PCCI combustion modes. Subsequently, the NOx reduction performance of the exposed catalysts was evaluated on a laboratory bench- reactor fed with simulated exhaust. The Fe-zeolite NOx conversion efficiency was significantly degraded, especially at low temperatures (<250 C), after the catalyst was exposed to the engine exhaust. The degradation of the Fe-zeolite performance was similar for both combustion modes. The Cu-zeolite was much more resistant to HC fouling than the Fe-zeolite catalyst. In the case of the Cu-zeolite, PCCI exhaust had a more significant impact than the exhaust from conventional combustion on the NOx conversion efficiency. For all cases, the clean catalyst performance was recovered after heating to 600 C. GC-MS analysis of the HCs adsorbed to the catalyst surface provided insights into the observed NOx reduction performance trends.

  20. Effect of Hydrocarbon Emissions From PCCI-Type Combustion on the Performance of Selective Catalytic Reduction Catalysts

    SciTech Connect

    Prikhodko, Vitaly Y; Pihl, Josh A; Lewis Sr, Samuel Arthur; Parks, II, James E

    2011-01-01

    Core samples cut from full size commercial Fe- and Cu-zeolite SCR catalysts were exposed to a slipstream of raw engine exhaust from a 1.9-liter 4-cylinder diesel engine operating in conventional and PCCI combustion modes. Subsequently, the NOx reduction performance of the exposed catalysts was evaluated on a laboratory bench-reactor fed with simulated exhaust. The Fe-zeolite NOx conversion efficiency was significantly degraded, especially at low temperatures (<250 C), after the catalyst was exposed to the engine exhaust. The degradation of the Fe-zeolite performance was similar for both combustion modes. The Cu-zeolite was much more resistant to HC fouling than the Fe-zeolite catalyst. In the case of the Cu-zeolite, PCCI exhaust had a more significant impact than the exhaust from conventional combustion on the NOx conversion efficiency. For all cases, the clean catalyst performance was recovered after heating to 600 C. GC-MS analysis of the HCs adsorbed to the catalyst surface provided insights into the observed NOx reduction performance trends.

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

    NASA Astrophysics Data System (ADS)

    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 (4118'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.

  2. Chemistry Notes.

    ERIC Educational Resources Information Center

    School Science Review, 1982

    1982-01-01

    Presents background information, laboratory procedures, classroom materials/activities, and experiments for chemistry. Topics include superheavy elements, polarizing power and chemistry of alkali metals, particulate carbon from combustion, tips for the chemistry laboratory, interesting/colorful experiments, behavior of bismuth (III) iodine, and

  3. Chemistry Notes.

    ERIC Educational Resources Information Center

    School Science Review, 1982

    1982-01-01

    Presents background information, laboratory procedures, classroom materials/activities, and experiments for chemistry. Topics include superheavy elements, polarizing power and chemistry of alkali metals, particulate carbon from combustion, tips for the chemistry laboratory, interesting/colorful experiments, behavior of bismuth (III) iodine, and…

  4. Multiple ignition, combustion, and quenching of hydrocarbon-fuel sprays. Annual report, 1 July 1981-30 June 1982

    SciTech Connect

    Aggarwal, B.R.; Sirignano, W.A.; Sommer, H.T.

    1982-12-01

    Ignition data has been compiled for combustible gaseous mixtures with hot burning particle sources. High-speed photography, Schileren photography and pyrometry have been employed in the diagnostics. The ignition and non-ignition domains in terms of particle size and mixture ratio have been determined. The design and fabrication of the spray ignition experiment is underway. Finite-difference and asymptotic results have been concluded and the ignition domains have been determined with good agreement (within our limitations of knowledge about chemical kinetics) have been obtained. The preliminary theoretical results about spray ignition indicated that minimum ignition energy and ignition delay should be treated as probabilistic parameters.

  5. Chemistry of molecular growth processes in flames.

    PubMed

    Smyth, K C; Miller, J H

    1987-06-19

    Chemical mechanisms of pyrolysis, growth, and oxidation processes in flames have traditionally been inferred from spatial profile measurements of species concentrations. Experimental investigations now include the detection of numerous minor species such as reactive radicals and intermediate hydrocarbons. In assessing a proposed mechanism important new constraints can be established when the detailed species profile data are combined with velocity and temperature measurements and analyzed to determine production and destruction rates for specific molecules. Recent results on hydrocarbon diffusion flames provide new information on the interplay between chemical and transport processes. These measurements have led to direct tests of proposed routes for the formation of aromatic hydrocarbons and the first, small soot particles. The inception chemistry of hydrocarbon growth reactions and initial particle formation is thought to control soot formation, flame radiation and energy transfer, and pollutant emission in combustion environments. PMID:17835737

  6. Chemistry of Molecular Growth Processes in Flames

    NASA Astrophysics Data System (ADS)

    Smyth, Kermit C.; Houston Miller, J.

    1987-06-01

    Chemical mechanisms of pyrolysis, growth, and oxidation processes in flames have traditionally been inferred from spatial profile measurements of species concentrations. Experimental investigations now include the detection of numerous minor species such as reactive radicals and intermediate hydrocarbons. In assessing a proposed mechanism important new constraints can be established when the detailed species profile data are combined with velocity and temperature measurements and analyzed to determine production and destruction rates for specific molecules. Recent results on hydrocarbon diffusion flames provide new information on the interplay between chemical and transport processes. These measurements have led to direct tests of proposed routes for the formation of aromatic hydrocarbons and the first, small soot particles. The inception chemistry of hydrocarbon growth reactions and initial particle formation is thought to control soot formation, flame radiation and energy transfer, and pollutant emission in combustion environments.

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

    PubMed

    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. PMID:23338991

  8. An analytical study of nitrogen oxides and carbon monoxide emissions in hydrocarbon combustion with added nitrogen, preliminary results

    NASA Technical Reports Server (NTRS)

    Bittker, D. A.

    1979-01-01

    The effect of combustor operating conditions on the conversion of fuel-bound nitrogen (FBN) to nitrogen oxides NO sub x was analytically determined. The effect of FBN and of operating conditions on carbon monoxide (CO) formation was also studied. For these computations, the combustor was assumed to be a two stage, adiabatic, perfectly-stirred reactor. Propane-air was used as the combustible mixture and fuel-bound nitrogen was simulated by adding nitrogen atoms to the mixture. The oxidation of propane and formation of NO sub x and CO were modeled by a fifty-seven reaction chemical mechanism. The results for NO sub x and CO formation are given as functions of primary and secondary stage equivalence ratios and residence times.

  9. Reductions in Emissions of Carbonaceous Particulate Matter and Polycyclic Aromatic Hydrocarbons from Combustion of Biomass Pellets in Comparisonwith Raw Fuel Burning

    PubMed Central

    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; WEI, Wen; WANG, Xilong; LIU, Wenxing; WANG, Xuejun; SIMONICH, Staci L. Massey

    2012-01-01

    Biomass pellets are emerging as a cleaner alternative to traditional biomass fuels. The potential benefits of using biomass pellets include improving energy utilization efficiency and reducing emissions of air pollutants. To assess the environmental, climate, and health significance of replacing traditional fuels with biomass pellets, it is critical to measure the emission factors (EFs) of various pollutants from pellet burning. However, only a few field measurements have been conducted on the emissions of carbon monoxide (CO), particulate matter (PM), and polycyclic aromatic hydrocarbons (PAHs) from the combustion of pellets. In this study, pine wood and corn straw pellets were burned in a pellet burner (2.6 kW) and the EFs of CO, organic carbon, elemental carbon, PM, and PAHs (EFCO, EFOC, EFEC, EFPM, and EFPAH) were determined. The average EFCO, EFOC, EFEC, and EFPM were 15201170, 8.6811.4, 11.28.7, and 18887 mg/MJ for corn straw pellets, and 266137, 5.747.17, 2.021.57, and 71.054.0 mg/MJ for pine wood pellets, respectively. Total carbonaceous carbon constituted 8 to 14% of the PM mass emitted. The measured values of EFPAH for the two pellets were 1.020.64 and 0.5060.360 mg/MJ, respectively. The secondary side air supply in the pellet burner did not change the EFs of most pollutants significantly (p > 0.05). The only exceptions were EFOC and EFPM for pine wood pellets because of reduced combustion temperatures with the increased air supply. In comparison with EFs for the raw pine wood and corn straw, EFCO, EFOC, EFEC, and EFPM for pellets were significantly lower than those for raw fuels (p < 0.05). However, the differences in EFPAH were not significant (p > 0.05). Based on the measured EFs and thermal efficiencies, it was estimated that 95, 98, 98, 88, and 71% reductions in the total emissions of CO, OC, EC, PM, and PAHs could be achieved by replacing the raw biomass fuels combusted in traditional cooking stoves with pellets burned in modern pellet burners. PMID:22568759

  10. Reductions in emissions of carbonaceous particulate matter and polycyclic aromatic hydrocarbons from combustion of biomass pellets in comparison with raw fuel burning.

    PubMed

    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; Wei, Wen; Wang, Xilong; Liu, Wenxing; Wang, Xuejun; Masse Simonich, Staci L y

    2012-06-01

    Biomass pellets are emerging as a cleaner alternative to traditional biomass fuels. The potential benefits of using biomass pellets include improving energy utilization efficiency and reducing emissions of air pollutants. To assess the environmental, climate, and health significance of replacing traditional fuels with biomass pellets, it is critical to measure the emission factors (EFs) of various pollutants from pellet burning. However, only a few field measurements have been conducted on the emissions of carbon monoxide (CO), particulate matter (PM), and polycyclic aromatic hydrocarbons (PAHs) from the combustion of pellets. In this study, pine wood and corn straw pellets were burned in a pellet burner (2.6 kW), and the EFs of CO, organic carbon, elemental carbon, PM, and PAHs (EF(CO), EF(OC), EF(EC), EF(PM), and EF(PAH)) were determined. The average EF(CO), EF(OC), EF(EC), and EF(PM) were 1520 1170, 8.68 11.4, 11.2 8.7, and 188 87 mg/MJ for corn straw pellets and 266 137, 5.74 7.17, 2.02 1.57, and 71.0 54.0 mg/MJ for pine wood pellets, respectively. Total carbonaceous carbon constituted 8 to 14% of the PM mass emitted. The measured values of EF(PAH) for the two pellets were 1.02 0.64 and 0.506 0.360 mg/MJ, respectively. The secondary side air supply in the pellet burner did not change the EFs of most pollutants significantly (p > 0.05). The only exceptions were EF(OC) and EF(PM) for pine wood pellets because of reduced combustion temperatures with the increased air supply. In comparison with EFs for the raw pine wood and corn straw, EF(CO), EF(OC), EF(EC), and EF(PM) for pellets were significantly lower than those for raw fuels (p < 0.05). However, the differences in EF(PAH) were not significant (p > 0.05). Based on the measured EFs and thermal efficiencies, it was estimated that 95, 98, 98, 88, and 71% reductions in the total emissions of CO, OC, EC, PM, and PAHs could be achieved by replacing the raw biomass fuels combusted in traditional cooking stoves with pellets burned in modern pellet burners. PMID:22568759

  11. Polycyclic Aromatic Hydrocarbon Exposure in Household Air Pollution from Solid Fuel Combustion among the Female Population of Xuanwei and Fuyuan Counties, China

    PubMed Central

    2015-01-01

    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 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. PMID:25393345

  12. Characterizing priority polycyclic aromatic hydrocarbons (PAH) in particulate matter from diesel and palm oil-based biodiesel B15 combustion

    NASA Astrophysics Data System (ADS)

    Rojas, Nestor Y.; Milquez, Harvey Andrs; Sarmiento, Hugo

    2011-11-01

    A set of 16 priority polycyclic aromatic hydrocarbons (PAH) associated with particulate matter (PM), emitted by a diesel engine fueled with petroleum diesel and a 15%-vol. palm oil methyl ester blend with diesel (B15), were determined. PM was filtered from a sample of the exhaust gas with the engine running at a steady speed and under no load. PAH were extracted from the filters using the Soxhlet technique, with dichloromethane as solvent. The extracts were then analyzed by gas chromatography using a flame ionization detector (FID). No significant difference was found between PM mass collected when fueled with diesel and B15. Ten of the 16 PAH concentrations were not reduced by adding biodiesel: Benz(a)anthracene, benzo(a)pyrene, benzo(b)fluoranthene, chrysene, dibenz(a,h)anthracene, fluoranthene, fluorene, indeno(1,2,3-c,d)pyrene, naphthalene and phenanthrene. The acenaphthene, acenaphthylene and anthracene concentrations were 45%-80% higher when using diesel, whereas those for benzo(k)fluoranthene, benzo(g,h,i)perylene and pyrene were 30%-72% higher when using the B15 blend. Even though the 16 priority-PAH cumulative concentration increased when using the B15 blend, the total toxic equivalent (TEQ) concentration was not different for both fuels.

  13. Emissions of parent, nitrated, and oxygenated polycyclic aromatic hydrocarbons from indoor corn straw burning in normal and controlled combustion conditions

    PubMed Central

    Shen, Guofeng; Xue, Miao; Wei, Siye; Chen, Yuanchen; Wang, Bin; Wang, Rong; Lv, Yan; Shen, Huizhong; Li, Wei; Zhang, Yanyan; Huang, Ye; Chen, Han; Wei, Wen; Zhao, Qiuyue; Li, Bin; Wu, Haisuo; Tao, Shu

    2014-01-01

    Emission factors (EFs) of parent polycyclic aromatic (pPAHs), nitrated PAHs (nPAHs), and oxygenated PAHs (oPAHs) were measured for indoor corn straw burned in a cooking brick stove in both normal and controlled burning conditions. EFs of total 28 pPAHs, 6 nPAHs and 4 oPAHs were 7.9±3.4, 6.5±1.6×10-3, and 6.1±1.4×10-1 mg/kg, respectively. By controlling the burning conditions, it was found that the influence of fuel charge size on EFs of the pPAHs and derivatives was insignificant. Measured EFs increased significantly in a fast burning mainly because of the oxygen deficient atmosphere formed in the stove chamber with a small volume. In both restricted and enhance air supply conditions, EFs of pPAHs, nPAHs and oPAHs were significantly higher than those measured in normal burning conditions. Though EFs varied in different burning conditions, the composition profiles and calculated isomer ratios were similar without significant differences. The results from the stepwise regression model showed that fuel burning rate, air supply amount, and modified combustion efficiency were three most significant influencing factors, explaining 72-85% of the total variations. PMID:24494494

  14. Light hydrocarbons from plasma discharge in H2-He-CH4 - First results and Uranian auroral chemistry

    NASA Technical Reports Server (NTRS)

    Thompson, W. Reid; Henry, Todd; Khare, B. N.; Flynn, Luke; Schwartz, Joel

    1987-01-01

    The production of light hydrocarbons by precipitating magnetospheric electrons in the Uranian stratosphere is simulated in laboratory experiments. The products of continuous-flow glow discharges of H2-He-CH4 mixtures containing 0.0012 or 0.022 mol pct CH4 at pressures 0.63-57 mbar are trapped at 77 K, measured manometrically, and identified by gas chromatography and mass spectroscopy; the results are presented in tables and characterized in detail. The globally averaged rate for the production of higher hydrocarbons by this mechanism on Uranus is estimated as 3 x 10 to the 6th C/sq cm sec and shown to be similar to that for photochemical production, while the local rate for the auroral zones is significantly higher than the corresponding photochemical rate. A decrease in yield with increasing molecular complexity is also noted.

  15. Combustion chemistry and flame structure of furan group biofuels using molecular-beam mass spectrometry and gas chromatography - Part II: 2-Methylfuran.

    PubMed

    Tran, Luc-Sy; Togb, Casimir; Liu, Dong; Felsmann, Daniel; Owald, Patrick; Glaude, Pierre-Alexandre; Fournet, Ren; Sirjean, Baptiste; Battin-Leclerc, Frdrique; Kohse-Hinghaus, Katharina

    2014-03-01

    This is Part II of a series of three papers which jointly address the combustion chemistry of furan and its alkylated derivatives 2-methylfuran (MF) and 2,5-dimethylfuran (DMF) under premixed low-pressure flame conditions. Some of them are considered to be promising biofuels. With furan as a common basis studied in Part I of this series, the present paper addresses two laminar premixed low-pressure (20 and 40 mbar) flat argon-diluted (50%) flames of MF which were studied with electron-ionization molecular-beam mass spectrometry (EI-MBMS) and gas chromatography (GC) for equivalence ratios ?=1.0 and 1.7, identical conditions to those for the previously reported furan flames. Mole fractions of reactants, products as well as stable and reactive intermediates were measured as a function of the distance above the burner. Kinetic modeling was performed using a comprehensive reaction mechanism for all three fuels given in Part I and described in the three parts of this series. A comparison of the experimental results and the simulation shows reasonable agreement, as also seen for the furan flames in Part I before. This set of experiments is thus considered to be a valuable additional basis for the validation of the model. The main reaction pathways of MF consumption have been derived from reaction flow analyses, and differences to furan combustion chemistry under the same conditions are discussed. PMID:24518895

  16. Structure and chemistry of a new chemical race of Botryococcus braunii (chlorophyceae) that produces lycopadiene, a tetraterpenoid hydrocarbon

    SciTech Connect

    Metzger, P.; Allard, B.; Casadevall, E. ); Berkaloff, C.; Coute, A. )

    1990-06-01

    New strains of the hydrocarbon rich alga Botryococcus braunii Kuetzing were isolated from water samples collected in three tropical freshwater lakes. These strains synthesize lycopadiene, a tetraterpenoid metabolite, as their sole hydrocarbon. The morphological and ultrastructural characteristics of these algae are similar to those reported for previously described strains which produce either alkadienes or botryococcenes. The pyriform shaped cells are embedded in a colonial matrix formed by layers of closely appressed external walls; this dense matrix is impregnated by the hydrocarbon and some other lipids. We believe the new strains synthesizing lycopadiene form a third chemical race in B. braunii, besides the alkadiene and botryococcene races, rather than a different species. Like the other two types of hydrocarbons, lycopadiene was produced primarily during the exponential and linear growth phases. The major fatty acid in the three races was oleic acid. This fatty acid was predominant in the alkadiene race; palmitic and octacosenoic acid also were present in appreciable amounts in the three races. Cholest-5-en-3{beta}-ol, 24-methylcholest-5-en-3{beta}-ol and 24-ethylcholest-5-en-3{beta}-ol occurred in the three races; three unidentified sterols also were detected in the lycopadiene race. Moreover, the presence of very long chain alkenyl-phenols in the lipids of algae of the alkadiene race was not observed in the botryococcene and lycopadiene races. Of the polysaccharides released in the medium, galactose appeared as a primary component: it predominated in the botryococcene race. The other major constituents were fucose for the alkadiene race and glucose and fucose for the lycopadiene race.

  17. Minor and trace authigenic components as indicators of pore fluid chemistry during maturation and migration of hydrocarbons. Final report

    SciTech Connect

    Tieh, T.T.; Denham, M.E.

    1993-02-01

    Variations in mineralogy and composition of late authigenic sulfur-bearing minerals in upper Smackover limestones recorded diagenetic events associated with hydrocarbon migration. Uranium concentration, as revealed by fission track imaging and instrumental neutron activation analyses, varies on a microscopic and regional scale in the upper Smackover limestones. Uranium is locally concentrated in stylolites and fine grained opaque material. Comparison of uranium and thorium concentrations in stylolites suggests these elements are insoluble residue of the pressure solution process. Regionally, uranium concentration varies with clay content of the host limestone indicating that sorption plays a major role in the geochemical behavior of uranium in the subsurface. Comparison of uranium ratios of upper Smackover limestones to those of black shales from the Gray Sands tentatively suggests that uranium was redistributed from hydrocarbon source rocks to reservoir rocks. However, better understanding of the association of uranium with organic-rich rocks and the role of sorption are required before uranium can be used reliably as a pore fluid tracer. Late authigenic sulfur-bearing minerals are excellent indicators of late-stage diagenetic events and evolution of pore fluids associated with hydrocarbons. Study of these minerals in the upper Smackover limestones has provided the first concrete evidence of migration of late-stage pore fluids into these rocks along faults and has shown that this flow was focussed in specific areas. This knowledge allows a clearer and more specific interpretation of previous authors observations and data.

  18. Minor and trace authigenic components as indicators of pore fluid chemistry during maturation and migration of hydrocarbons

    SciTech Connect

    Tieh, T.T.; Denham, M.E.

    1993-02-01

    Variations in mineralogy and composition of late authigenic sulfur-bearing minerals in upper Smackover limestones recorded diagenetic events associated with hydrocarbon migration. Uranium concentration, as revealed by fission track imaging and instrumental neutron activation analyses, varies on a microscopic and regional scale in the upper Smackover limestones. Uranium is locally concentrated in stylolites and fine grained opaque material. Comparison of uranium and thorium concentrations in stylolites suggests these elements are insoluble residue of the pressure solution process. Regionally, uranium concentration varies with clay content of the host limestone indicating that sorption plays a major role in the geochemical behavior of uranium in the subsurface. Comparison of uranium ratios of upper Smackover limestones to those of black shales from the Gray Sands tentatively suggests that uranium was redistributed from hydrocarbon source rocks to reservoir rocks. However, better understanding of the association of uranium with organic-rich rocks and the role of sorption are required before uranium can be used reliably as a pore fluid tracer. Late authigenic sulfur-bearing minerals are excellent indicators of late-stage diagenetic events and evolution of pore fluids associated with hydrocarbons. Study of these minerals in the upper Smackover limestones has provided the first concrete evidence of migration of late-stage pore fluids into these rocks along faults and has shown that this flow was focussed in specific areas. This knowledge allows a clearer and more specific interpretation of previous authors observations and data.

  19. Versatile transformations of hydrocarbons in anaerobic bacteria: substrate ranges and regio- and stereo-chemistry of activation reactions†

    PubMed Central

    Jarling, René; Kühner, Simon; Basílio Janke, Eline; Gruner, Andrea; Drozdowska, Marta; Golding, Bernard T.; Rabus, Ralf; Wilkes, Heinz

    2015-01-01

    Anaerobic metabolism of hydrocarbons proceeds either via addition to fumarate or by hydroxylation in various microorganisms, e.g., sulfate-reducing or denitrifying bacteria, which are specialized in utilizing n-alkanes or alkylbenzenes as growth substrates. General pathways for carbon assimilation and energy gain have been elucidated for a limited number of possible substrates. In this work the metabolic activity of 11 bacterial strains during anaerobic growth with crude oil was investigated and compared with the metabolite patterns appearing during anaerobic growth with more than 40 different hydrocarbons supplied as binary mixtures. We show that the range of co-metabolically formed alkyl- and arylalkyl-succinates is much broader in n-alkane than in alkylbenzene utilizers. The structures and stereochemistry of these products are resolved. Furthermore, we demonstrate that anaerobic hydroxylation of alkylbenzenes does not only occur in denitrifiers but also in sulfate reducers. We propose that these processes play a role in detoxification under conditions of solvent stress. The thermophilic sulfate-reducing strain TD3 is shown to produce n-alkylsuccinates, which are suggested not to derive from terminal activation of n-alkanes, but rather to represent intermediates of a metabolic pathway short-cutting fumarate regeneration by reverse action of succinate synthase. The outcomes of this study provide a basis for geochemically tracing such processes in natural habitats and contribute to an improved understanding of microbial activity in hydrocarbon-rich anoxic environments. PMID:26441848

  20. Rate constants for the reaction of C4H radical with various hydrocarbons at very low temperatures (15 K - 300K) relevant to the atmospheric chemistry of Titan

    NASA Astrophysics Data System (ADS)

    Berteloite, C.; Le Picard, S. D.; Canosa, A.; Sims, I. R.; Benilan, Y.; Gazeau, M.-C.

    Modelling the chemistry of planetary atmospheres requires the knowledge of a large number of physical and chemical data among which chemical rate coefficients. Of particular interest is the understanding of how complex molecules and unstable hydrocarbons can be formed and survive in such extreme environments. Many organic compounds have been detected in Titan's atmosphere, and the active photochemistry taking place in the upper atmosphere is thought to be responsible for the haze that hides Titan's surface. According to photochemical models, diacetylene (C4 H2 ) production is initiated by the photodissociation of acetylene C2 H2 (a product of methane photolysis). Diacetylene is the first of the series of polyynes proposed as a formation route for the haze particles present in the upper atmosphere. Photolysis of diacetylene can lead to a large amount of radicals, including C4 H that can react to form species containing longer carbon chains. As major discrepancies have been found between models and observations concerning hydrocarbon ratios in the stratosphere of Titan, we have undertaken a close collaboration with our colleagues of the LISA (Crteil) to determine accurate experimental data to improve the understanding of the chemistry and the photochemistry of polyynes, and more specifically diacetylene in Titan's atmosphere. In Rennes, we have used the CRESU (Cintique de Raction en Ecoulement Supersonique Uniforme or Reaction Kinetics in a Uniform Supersonic Flow) technique to study the reactivity of the the butadiynyl radical, C4 H, with a series of small hydro- carbons observed in the atmosphere of Titan. Rate constants have been derived over a wide range of temperatures (15 K - 300 K). Many of these reactions have been found to be fast (k ? 10-10 cm3 molecule-1 s-1 ), with a rate coefficient increasing when the temperature was lowered. Spectroscopic aspects of these studies and consequences of these new data on the models have been undertaken by our colleagues of Crteil.

  1. The Influence of Hydrocarbon and CO2 on the Reversibility of Li-O2 Chemistry Using In Situ Ambient Pressure X-ray Photoelectron Spectroscopy

    SciTech Connect

    Lu, Yi-chun; Crumlin, Ethan; Carney, Thomas J; Baggetto, Loic; Veith, Gabriel M; Dudney, Nancy J; Liu, Zhi; Shao-Horn, Yang

    2013-01-01

    Identifying fundamental barriers that hinder reversible lithium oxygen (Li O2) redox reaction is essential for developing efficient and long lasting rechargeable Li O2 batteries. Addressing these challenges is being limited by parasitic reactions in the carbon based O2 electrode with aprotic electrolytes. Understanding the mechanisms of these parasitic reactions is hampered by the complexity that multiple and coupled parasitic reactions involving carbon, electrolytes, and Li O2 reaction intermediates/products can occur simultaneously. In this work, we employed solid state cells free of carbon and aprotic electrolytes to probe the influence of surface adventitious hydrocarbons and carbon dioxide (CO2) on the reversibility of the Li O2 redox chemistry using in situ synchrotron based ambient pressure X ray photoelectron spectroscopy. Direct evidence was provided, for the first time, that surface hydrocarbons and CO2 irreversibly react with Li O2 reaction intermediates/ products such as Li2O2 and Li2O, forming carboxylate and carbonate based species, which cannot be removed fully upon recharge. The slower Li2O2 oxidation kinetics was correlated with increasing coverage of surface carbonate/ carboxylate species. Our work critically points out that materials design that mitigates the reactivity between Li O2 reaction products and common impurities in the atmosphere is needed to achieve long cycle life Li O2 batteries.

  2. Catalytically enhanced combustion process

    SciTech Connect

    Rodriguez, C.

    1992-05-26

    This patent describes a fuel having improved combustion efficiency. It comprises a petroleum based liquid hydrocarbon; and a combustion catalyst comprising from about 18 to about 21 weight percent naphthalene, from about 75 to about 80 weight percent toluene, and from about 2.8 to about 3.2 weight percent benzyl alcohol.

  3. Sandia Combustion Research: Technical review

    SciTech Connect

    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.

  4. Real-time measurements of particulate matter and polycyclic aromatic hydrocarbon emissions from stationary combustion sources used in oil and gas production

    SciTech Connect

    D. w. Hahn; K. r. Hencken; H. A. Johnsen; J. R. Ross; P. M. Walsh

    1998-12-10

    Particulate matter emissions and some components of the particles were measured in the exhaust from combustion equipment used in oil and gas production operations near Bakersfield, California. The combustion sources included a 22.5 MW (electric) turbine generator, a 342-Bhp rich-burn spark ignition engine, and a 50 million Btu/h steam generator, all fired using natural gas. The particle components and measurement techniques were as follows: (1) Calcium, magnesium, sodium, silicon, and iron were measured using laser-induced breakdown spectroscopy (LIBS), (2) particle-bound polycyclic aromatic hydrocarbons (PAH) were detected using the charge produced by photoionization, (3) particles having sizes between 0.1 and 7.5 {micro}m were counted using an instrument based on light scattering, and (4) total particulate matter was measured according to US EPA Method 5. Not all of the methods were applied to all of the sources. Measurements were also made in the ambient air near the combustion air inlets to the units, for comparison with the concentrations in the exhaust, but the inlet and outlet measurements were not done simultaneously. Calcium, sodium, and silicon were found in the exhaust from the steam generator at concentrations similar to those in the ambient air near the inlet to the burner. Sodium and silicon were observed in the engine exhaust at levels a factor of four higher than their concentrations in the air. The principal metal observed in the engine exhaust was calcium, a component of the lubricating oil, at a concentration of 11.6 {micro}g/m{sup 3}. The air entering the gas turbine is filtered, so the average concentrations of metals in the turbine exhaust under steady operating conditions were even lower than in the air. During start-up following a shut-down to wash the turbine, silicon and iron were the major species in the stack, at concentrations of 6.4 and 16.2 {micro}g/m{sup 3}, respectively. A possible source of silicon is the water injected into the turbine for NO{sub x} control. Iron-containing particles are expected to be scale from ferrous metals. A commercial photoelectric aerosol sensor was used to measure PAH adsorbed on particles in the exhaust from the steam generator and the rich-burn engine. The conversion of the instrument readings to PAH concentrations is dependent upon the specific distribution of PAH species present. Using the typical calibration factor recommended by the instrument manufacturer, the estimated average concentration of particle-bound PAH was below the instrument detection limit (3--10 ng/m{sup 3}) in the stack gas from the steam generator, and was estimated to be 0.045--0.15 {micro}g/m{sup 3} in the exhaust from the rich-burn engine. Particle mass concentrations estimated from number concentrations determined using the particle counting and sizing instrument were only small fractions of the concentrations measured using Method 5. This is thought to be due primarily to the limited range over which size was quantified (0.1 to 7.5 {micro}m) and the poor efficiency with which the sampling system transferred large particles.

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

    ERIC Educational Resources Information Center

    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

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

    ERIC Educational Resources Information Center

    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. The stable carbon isotope fractionation for reactions of selected hydrocarbons with OH-radicals and its relevance for atmospheric chemistry

    NASA Astrophysics Data System (ADS)

    Rudolph, J.; Czuba, E.; Huang, L.

    2000-12-01

    Measurements of the kinetic isotope effect (KIE) for the reactions of light n-alkanes as well as for several unsaturated hydrocarbons, including alkenes, dienes, benzene, and ethyne with OH-radicals are presented. All measured KIEs are positive; that is, molecules containing only C-12 react faster than the C-13 labeled molecules. However, the KIEs for n-alkanes are quite small; between one and four permil. They can be explained mainly by the mass dependence of the collision frequency between the n-alkanes and OH-radicals. KIEs for the reaction of alkenes with OH-radicals are considerably higher. They can be explained by a fractionation of 24.5+/-1.1% for the addition of an OH-radical to a double bond. Inverse dependence on number of carbon atoms and mass dependence of the collision frequencies explain our observations. For benzene the KIE is slightly higher; for ethyne it is somewhat lower than expected from this simple model. For the reaction of many light nonmethane hydrocarbons (NMHC), especially of unsaturated hydrocarbons, with OH-radicals the KIEs are sufficiently large to have significant impact on the isotopic composition of atmospheric NMHC. A small series of stable carbon isotope ratio measurements of atmospheric NMHC were made in the greater Toronto area. Traffic related NMHC emissions were also studied for their stable carbon isotope ratios. From these data it is possible to quantitatively determine the extent of photochemical processing due to OH-radical reactions that the individual NMHC has experienced. Thus such measurements allow quantitative evaluation of the extent of chemical processing the different NMHC have gone through. This also includes the possibility to differentiate between the impact of local sources and regional or large scale transport. It is shown that in combination with concentration measurements isotope ratio measurements are extremely valuable to study the complex interaction between chemical removal mechanisms, mixing, and dilution processes.

  8. Forensic Chemistry

    NASA Astrophysics Data System (ADS)

    Bell, Suzanne

    2009-07-01

    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.

  9. Tripropellant combustion process

    NASA Technical Reports Server (NTRS)

    Kmiec, T. D.; Carroll, R. G.

    1988-01-01

    The addition of small amounts of hydrogen to the combustion of LOX/hydrocarbon propellants in large rocket booster engines has the potential to enhance the system stability. Programs being conducted to evaluate the effects of hydrogen on the combustion of LOX/hydrocarbon propellants at supercritical pressures are described. Combustion instability has been a problem during the development of large hydrocarbon fueled rocket engines. At the higher combustion chamber pressures expected for the next generation of booster engines, the effect of unstable combustion could be even more destructive. The tripropellant engine cycle takes advantage of the superior cooling characteristics of hydrogen to cool the combustion chamber and a small amount of the hydrogen coolant can be used in the combustion process to enhance the system stability. Three aspects of work that will be accomplished to evaluate tripropellant combustion are described. The first is laboratory demonstration of the benefits through the evaluation of drop size, ignition delay and burning rate. The second is analytical modeling of the combustion process using the empirical relationship determined in the laboratory. The third is a subscale demonstration in which the system stability will be evaluated. The approach for each aspect is described and the analytical models that will be used are presented.

  10. Combustor nozzle for a fuel-flexible combustion system

    DOEpatents

    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.

  11. FUNDAMENTAL COMBUSTION RESEARCH APPLIED TO POLLUTION FORMATION. VOLUME 1. FCR PROGRAM OVERVIEW AND GAS-PHASE CHEMISTRY

    EPA Science Inventory

    The report is the first in a series of four, documenting research performed under EPA's Fundamental Combustion Research (FCR) program. It is divided in two: Part A is a program overview and an introduction to the series; and Part B documents research performed in the gas-phase ch...

  12. Tropospheric chemistry of natural hydrocarbons, aldehydes, and peroxy radicals: Their connections to sulfuric acid production and climate effects

    SciTech Connect

    Gaffney, J.S.; Marley, N.A.

    1993-05-01

    Recent work has shown that natural hydrocarbon emissions can significantly affect the levels of urban and regional tropospheric ozone. We report on the reactivities of these biogenic trace gases, particularly isoprene, focusing on their importance in the production of aldehydes and peroxy radicals, leading to increased levels of hydrogen over regional forests. Hydrogen peroxide can lead to the wet oxidation of sulfur dioxide to acidic sulfate in aerosols, fogs, and clouds. In turn, acidic sulfate can act to as a light scattering aerosol and a source of cloud condensation nuclei (CCN), potentially leading to global cooling. Aerosol sulfate and other dissolved organic and inorganic compounds can also play important roles as a greenhouse species in the lower troposphere.

  13. DNA adducts as biomarkers for assessing exposure to polycyclic aromatic hydrocarbons in tissues from Xuan Wei women with high exposure to coal combustion emissions and high lung cancer mortality

    SciTech Connect

    Mumford, J.L.; Lee, X.; Lewtas, J.; Young, T.L.; Santella, R.M.

    1993-03-01

    The high lung cancer rate in Xuan Wei, China, is associated with smoky coal use in unvented homes. Smoky coal combustion emits higher levels of polycyclic aromatic hydrocarbons (PAH) than wood combustion. The study used DNA adducts as a biomarker for human exposure to PAH from combustion emissions. DNA adducts were determined by enzyme-linked immunosorbent assays (ELISA) in placentas and peripheral and cord white blood cells from Xuan Wei women burning smoky coal or wood and from Beijing women using natural gas. Color ELISA gave positive results in 58%, 47%, and 5% of the placentas from Xuan Wei women burning smoky coal without and with chimneys, and from Beijing women, respectively. Fluorescence ELISA indicated that 46%, 65%, 56%, and 25% of placentas were positive from Xuan Wei women without and with chimneys, Xuan Wei women burning wood, and Beijing controls, respectively. PAH-DNA adducts were detected in a higher percentage of placentas from Xuan Wei women exposed to smoky coal or wood emissions than those of the Beijing controls. The results suggest that DNA adducts can be used as a qualitative biomarker to assess human exposure to combustion emissions.

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

    NASA Technical Reports Server (NTRS)

    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 a new laser-based strain-rate and vorticity technique for the time-resolved measurement of vorticity and strain-rates in turbulent flows.

  15. Combustion modeling in internal combustion engines

    NASA Technical Reports Server (NTRS)

    Zeleznik, F. J.

    1976-01-01

    The fundamental assumptions of the Blizard and Keck combustion model for internal combustion engines are examined and a generalization of that model is derived. The most significant feature of the model is that it permits the occurrence of unburned hydrocarbons in the thermodynamic-kinetic modeling of exhaust gases. The general formulas are evaluated in two specific cases that are likely to be significant in the applications of the model.

  16. Chemistry Impacts in Gasoline HCCI

    SciTech Connect

    Szybist, James P; Bunting, Bruce G

    2006-09-01

    The use of homogeneous charge compression ignition (HCCI) combustion in internal combustion engines is of interest because it has the potential to produce low oxides of nitrogen (NOx) and particulate matter (PM) emissions while providing diesel-like efficiency. In HCCI combustion, a premixed charge of fuel and air auto-ignites at multiple points in the cylinder near top dead center (TDC), resulting in rapid combustion with very little flame propagation. In order to prevent excessive knocking during HCCI combustion, it must take place in a dilute environment, resulting from either operating fuel lean or providing high levels of either internal or external exhaust gas recirculation (EGR). Operating the engine in a dilute environment can substantially reduce the pumping losses, thus providing the main efficiency advantage compared to spark-ignition (SI) engines. Low NOx and PM emissions have been reported by virtually all researchers for operation under HCCI conditions. The precise emissions can vary depending on how well mixed the intake charge is, the fuel used, and the phasing of the HCCI combustion event; but it is common for there to be no measurable PM emissions and NOx emissions <10 ppm. Much of the early HCCI work was done on 2-stroke engines, and in these studies the CO and hydrocarbon emissions were reported to decrease [1]. However, in modern 4-stroke engines, the CO and hydrocarbon emissions from HCCI usually represent a marked increase compared with conventional SI combustion. This literature review does not report on HCCI emissions because the trends mentioned above are well established in the literature. The main focus of this literature review is the auto-ignition performance of gasoline-type fuels. It follows that this discussion relies heavily on the extensive information available about gasoline auto-ignition from studying knock in SI engines. Section 2 discusses hydrocarbon auto-ignition, the octane number scale, the chemistry behind it, its shortcomings, and its relevance to HCCI. Section 3 discusses the effects of fuel volatility on fuel and air mixing and the consequences it has on HCCI. The effects of alcohol fuels on HCCI performance, and specifically the effects that they have on the operable speed/load range, are reviewed in Section 4. Finally, conclusions are drawn in Section 5.

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

    PubMed

    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 C? site of JP-10 has the lowest energy, and the R-5 radical generated from the thermal cracking at the C? 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. PMID:24633778

  18. POLYCYCLIC AROMATIC HYDROCARBON (PAH) SIZE DISTRIBUTIONS IN AEROSOLS FROM APPLIANCES OF RESIDENTIAL WOOD COMBUSTION AS DETERMINED BY DIRECT THERMAL DESORPTION - GC/MS

    EPA Science Inventory

    The paper describesd a direct thermal desorption (TDS) approach to determine the PAH composition (MW = 202-302 amu) in size-segregated aerosols from residential wood combustion (RWC). Six combustion tests are performed with two highly available wood fuel varieties, Douglas-fir (P...

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

    SciTech Connect

    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.

  20. Hydrocarbon pneumonia

    MedlinePLUS

    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.

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

    SciTech Connect

    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.

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

    NASA Astrophysics Data System (ADS)

    ?iri?, Vladimir; Manojlovi?, Maja; Beli?, Milivoj; Nei?, Ljiljana; varc-Gaji?, 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 between results obtained by CHN analyzer and other applied methods, linear regression equations for the recalculation of SOC concentration were developed.

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

    SciTech Connect

    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.

  4. Combustion chemistry of the propanol isomers : investigated by electron ionization and VUV-photoionization molecular-beam mass spectrometry.

    SciTech Connect

    Wang, J.; Kohse-Hoinghaus, Katharina; Cool, Terrill A.; Taatjes, Craig A.; Struckmeier, Ulf; OBwald, Patrick; Morel, Aude; Westmoreland, Phillip R.; Kasper, Tina Silvia

    2008-10-01

    The combustion of 1-propanol and 2-propanol was studied in low-pressure, premixed flat flames using two independent molecular-beam mass spectrometry (MBMS) techniques. For each alcohol, a set of three flames with different stoichiometries was measured, providing an extensive data base with in total twelve conditions. Profiles of stable and intermediate species, including several radicals, were measured as a function of height above the burner. The major-species mole fraction profiles in the 1-propanol flames and the 2-propanol flames of corresponding stoichiometry are nearly identical, and only small quantitative variations in the intermediate species pool could be detected. Differences between flames of the isomeric fuels are most pronounced for oxygenated intermediates that can be formed directly from the fuel during the oxidation process. The analysis of the species pool in the set of flames was greatly facilitated by using two complementary MBMS techniques. One apparatus employs electron ionization (EI) and the other uses VUV light for single-photon ionization (VUV-PI). The photoionization technique offers a much higher energy resolution than electron ionization and as a consequence, near-threshold photoionization-efficiency measurements provide selective detection of individual isomers. The EI data are recorded with a higher mass resolution than the PI spectra, thus enabling separation of mass overlaps of species with similar ionization energies that may be difficult to distinguish in the photoionization data. The quantitative agreement between the EI- and PI-datasets is good. In addition, the information in the EI- and PI-datasets is complementary, aiding in the assessment of the quality of individual burner profiles. The species profiles are supplemented by flame temperature profiles. The considerable experimental efforts to unambiguously assign intermediate species and to provide reliable quantitative concentrations are thought to be valuable for improving the mechanisms for higher alcohol combustion.

  5. Combustion chemistry of the propanol isomers - investigated by electron ionization and VUV-photoionization molecular-beam mass spectrometry

    SciTech Connect

    Kasper, T.; Osswald, P.; Struckmeier, U.; Kohse-Hoeinghaus, K.; Taatjes, C.A.; Wang, J.; Cool, T.A.; Law, M.E.; Morel, A.; Westmoreland, P.R.

    2009-06-15

    The combustion of 1-propanol and 2-propanol was studied in low-pressure, premixed flat flames using two independent molecular-beam mass spectrometry (MBMS) techniques. For each alcohol, a set of three flames with different stoichiometries was measured, providing an extensive data base with in total twelve conditions. Profiles of stable and intermediate species, including several radicals, were measured as a function of height above the burner. The major-species mole fraction profiles in the 1-propanol flames and the 2-propanol flames of corresponding stoichiometry are nearly identical, and only small quantitative variations in the intermediate species pool could be detected. Differences between flames of the isomeric fuels are most pronounced for oxygenated intermediates that can be formed directly from the fuel during the oxidation process. The analysis of the species pool in the set of flames was greatly facilitated by using two complementary MBMS techniques. One apparatus employs electron ionization (EI) and the other uses VUV light for single-photon ionization (VUV-PI). The photoionization technique offers a much higher energy resolution than electron ionization and as a consequence, near-threshold photoionization-efficiency measurements provide selective detection of individual isomers. The EI data are recorded with a higher mass resolution than the PI spectra, thus enabling separation of mass overlaps of species with similar ionization energies that may be difficult to distinguish in the photoionization data. The quantitative agreement between the EI- and PI-datasets is good. In addition, the information in the EI- and PI-datasets is complementary, aiding in the assessment of the quality of individual burner profiles. The species profiles are supplemented by flame temperature profiles. The considerable experimental efforts to unambiguously assign intermediate species and to provide reliable quantitative concentrations are thought to be valuable for improving the mechanisms for higher alcohol combustion. (author)

  6. Fundamental studies of fuel chemistry as related to internal combustion engine phenomena. Final technical report, October 1987--December 1989

    SciTech Connect

    Dryer, F.L.; Brezinsky, K.

    1990-09-01

    Intent of this research effort was to provide insight (through homogeneous gas phase kinetic studies at different constant pressures) to the fuel chemistry issues important to autoignition in engines. Conditions of the proposed experiments were chosen to be similar to engine parameters under knocking conditions: 700--1100 K temperatures, 1--20 atm pressures, and stoichiometries around 1. A variable pressure flow reactor was designed in which a range of reaction pressures and lower reaction temperatures could be accessed. Crossed beam optical access, continuous on-line gas sampling (nondispersive infrared, oxygen paramagnetic, H thermo-conductive, Fourier transform infrared, off-line GC, GC/mass spectrometric, wet chemical), and temperature measurements at the sampling location are available; reacting systems with reaction times ranging from 50--100 ms to 15--20 s can be studied. Testing has begun. Experiments on isobutene/oxygen mixtures have been conducted in the old atmospheric pressure flow reactor at 1150 K and in an equivalence ratio range of pyrolysis with 100 ppM oxygen background to 0.42. The kinetic model indicates that the inhibitory effect of isobutene at high temps is due to depletion of the active radical pool and formation of unreactive stable species and methyl radicals; isobutene oxidation/pyrolysis is heavily influenced by the chemistry of methyl radicals. The reaction of hydroperoxy radical (HO{sub 2}) with methyl radical and its effect on isobutene oxidation will be studied in the new reactor.

  7. Polynuclear aromatic hydrocarbons for fullerene synthesis in flames

    DOEpatents

    Alford, J. Michael; Diener, Michael D.

    2006-12-19

    This invention provides improved methods for combustion synthesis of carbon nanomaterials, including fullerenes, employing multiple-ring aromatic hydrocarbon fuels selected for high carbon conversion to extractable fullerenes. The multiple-ring aromatic hydrocarbon fuels include those that contain polynuclear aromatic hydrocarbons. More specifically, multiple-ring aromatic hydrocarbon fuels contain a substantial amount of indene, methylnapthalenes or mixtures thereof. Coal tar and petroleum distillate fractions provide low cost hydrocarbon fuels containing polynuclear aromatic hydrocarbons, including without limitation, indene, methylnapthalenes or mixtures thereof.

  8. Combustion chemistry and flame structure of furan group biofuels using molecular-beam mass spectrometry and gas chromatography - Part III: 2,5-Dimethylfuran.

    PubMed

    Togb, Casimir; Tran, Luc-Sy; Liu, Dong; Felsmann, Daniel; Owald, Patrick; Glaude, Pierre-Alexandre; Sirjean, Baptiste; Fournet, Ren; Battin-Leclerc, Frdrique; Kohse-Hinghaus, Katharina

    2014-03-01

    This work is the third part of a study focusing on the combustion chemistry and flame structure of furan and selected alkylated derivatives, i.e. furan in Part I, 2-methylfuran (MF) in Part II, and 2,5-dimethylfuran (DMF) in the present work. Two premixed low-pressure (20 and 40 mbar) flat argon-diluted (50%) flames of DMF were studied with electron-ionization molecular-beam mass spectrometry (EI-MBMS) and gas chromatography (GC) under two equivalence ratios (?=1.0 and 1.7). Mole fractions of reactants, products, and stable and radical intermediates were measured as a function of the distance to the burner. Kinetic modeling was performed using a reaction mechanism that was further developed in the present series, including Part I and Part II. A reasonable agreement between the present experimental results and the simulation is observed. The main reaction pathways of DMF consumption were derived from a reaction flow analysis. Also, a comparison of the key features for the three flames is presented, as well as a comparison between these flames of furanic compounds and those of other fuels. An a priori surprising ability of DMF to form soot precursors (e.g. 1,3-cyclopentadiene or benzene) compared to less substituted furans and to other fuels has been experimentally observed and is well explained in the model. PMID:24518851

  9. Combustion chemistry and flame structure of furan group biofuels using molecular-beam mass spectrometry and gas chromatography – Part III: 2,5-Dimethylfuran

    PubMed Central

    Togbé, Casimir; Tran, Luc-Sy; Liu, Dong; Felsmann, Daniel; Oßwald, Patrick; Glaude, Pierre-Alexandre; Sirjean, Baptiste; Fournet, René; Battin-Leclerc, Frédérique; Kohse-Höinghaus, Katharina

    2013-01-01

    This work is the third part of a study focusing on the combustion chemistry and flame structure of furan and selected alkylated derivatives, i.e. furan in Part I, 2-methylfuran (MF) in Part II, and 2,5-dimethylfuran (DMF) in the present work. Two premixed low-pressure (20 and 40 mbar) flat argon-diluted (50%) flames of DMF were studied with electron-ionization molecular-beam mass spectrometry (EI-MBMS) and gas chromatography (GC) under two equivalence ratios (φ=1.0 and 1.7). Mole fractions of reactants, products, and stable and radical intermediates were measured as a function of the distance to the burner. Kinetic modeling was performed using a reaction mechanism that was further developed in the present series, including Part I and Part II. A reasonable agreement between the present experimental results and the simulation is observed. The main reaction pathways of DMF consumption were derived from a reaction flow analysis. Also, a comparison of the key features for the three flames is presented, as well as a comparison between these flames of furanic compounds and those of other fuels. An a priori surprising ability of DMF to form soot precursors (e.g. 1,3-cyclopentadiene or benzene) compared to less substituted furans and to other fuels has been experimentally observed and is well explained in the model. PMID:24518851

  10. QUANTITATIVE ANALYSIS OF POLYNUCLEAR AROMATIC HYDROCARBONS IN LIQUID FUELS

    EPA Science Inventory

    Polynuclear aromatic hydrocarbons (PNAs), formed in combustion processes with liquid hydrocarbon fuels, contribute to mobile source exhaust emissions. Because correlation between PNA levels in automobile exhaust and pre-existent PNAs in fuel has been demonstrated in previous work...

  11. DEVELOPMENT OF RELATIVE POTENCY ESTIMATES FOR PAHS AND HYDROCARBON COMBUSTION PRODUCT FRACTIONS COMPARED TO BENZO[A]PYRENE AND THEIR USE IN CARCINOGENIC RISK ASSESSMENTS

    EPA Science Inventory

    As an extension of the work started in a previous contract (EPA 68-02-4403, April 1988), various approaches for estimating the carcinogenic potency of polycyclic aromatic hydrocarbons (PAH) mixtures were investigated. he approach uses the two-stage model described in the previous...

  12. Modeling the combustion behavior of hazardous waste in a rotary kiln incinerator.

    PubMed

    Yang, Yongxiang; Pijnenborg, Marc J A; Reuter, Markus A; Verwoerd, Joep

    2005-01-01

    Hazardous wastes have complex physical forms and chemical compositions and are normally incinerated in rotary kilns for safe disposal and energy recovery. In the rotary kiln, the multifeed stream and wide variation of thermal, physical, and chemical properties of the wastes cause the incineration system to be highly heterogeneous, with severe temperature fluctuations and unsteady combustion chemistry. Incomplete combustion is often the consequence, and the process is difficult to control. In this article, modeling of the waste combustion is described by using computational fluid dynamics (CFD). Through CFD simulation, gas flow and mixing, turbulent combustion, and heat transfer inside the incinerator were predicted and visualized. As the first step, the waste in various forms was modeled to a hydrocarbon-based virtual fuel mixture. The combustion of the simplified waste was then simulated with a seven-gas combustion model within a CFD framework. Comparison was made with previous global three-gas combustion model with which no chemical behavior can be derived. The distribution of temperature and chemical species has been investigated. The waste combustion model was validated with temperature measurements. Various operating conditions and the influence on the incineration performance were then simulated. Through this research, a better process understanding and potential optimization of the design were attained. PMID:16194906

  13. The History of Chemistry. The Case of the Supposed Isomerism of the Hydrocarbon Ethane in the Construction of Knowledge: Implications for Chemical Education.

    ERIC Educational Resources Information Center

    Cross, Roger T.; Price, Ronald F.

    2001-01-01

    Contends that chemical education proposals for changing the conception of chemistry literacy should include making explicit the relationship between chemistry as science and chemistry as technology. Illustrates the importance of distinguishing between scientific and technological activities by explaining the events and processes that are

  14. The History of Chemistry. The Case of the Supposed Isomerism of the Hydrocarbon Ethane in the Construction of Knowledge: Implications for Chemical Education.

    ERIC Educational Resources Information Center

    Cross, Roger T.; Price, Ronald F.

    2001-01-01

    Contends that chemical education proposals for changing the conception of chemistry literacy should include making explicit the relationship between chemistry as science and chemistry as technology. Illustrates the importance of distinguishing between scientific and technological activities by explaining the events and processes that are…

  15. Method for producing viscous hydrocarbons

    DOEpatents

    Poston, Robert S.

    1982-01-01

    A method for recovering viscous hydrocarbons and synthetic fuels from a subterranean formation by drilling a well bore through the formation and completing the well by cementing a casing means in the upper part of the pay zone. The well is completed as an open hole completion and a superheated thermal vapor stream comprised of steam and combustion gases is injected into the lower part of the pay zone. The combustion gases migrate to the top of the pay zone and form a gas cap which provides formation pressure to produce the viscous hydrocarbons and synthetic fuels.

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

    NASA Astrophysics Data System (ADS)

    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.

  17. Characterisation of polycyclic aromatic hydrocarbons in flue gas and residues of a full scale fluidized bed combustor combusting non-hazardous industrial waste.

    PubMed

    Van Caneghem, J; Vandecasteele, C

    2014-11-01

    This paper studies the fate of PAHs in full scale incinerators by analysing the concentration of the 16 EPA-PAHs in both the input waste and all the outputs of a full scale Fluidized Bed Combustor (FBC). Of the analysed waste inputs i.e. Waste Water Treatment (WWT) sludge, Refuse Derived Fuel (RDF) and Automotive Shredder Residue (ASR), RDF and ASR were the main PAH sources, with phenanthrene, fluoranthene and pyrene being the most important PAHs. In the flue gas sampled at the stack, naphthalene was the only predominant PAH, indicating that the PAHs in FBC's combustion gas were newly formed and did not remain from the input waste. Of the other outputs, the boiler and fly ash contained no detectable levels of PAHs, whereas the flue gas cleaning residue contained only low concentrations of naphthalene, probably adsorbed from the flue gas. The PAH fingerprint of the bottom ash corresponded rather well to the PAH fingerprint of the RDF and ASR, indicating that the PAHs in this output, in contrast to the other outputs, were mainly remainders from the PAHs in the waste inputs. A PAH mass balance showed that the total PAH input/output ratio of the FBC ranged from about 100 to about 2600 depending on the waste input composition and the obtained combustion conditions. In all cases, the FBC was clearly a net PAH sink. PMID:25002370

  18. Studies in combustion dynamics

    SciTech Connect

    Koszykowski, M.L.

    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.

  19. Pulverized-coal combustion: Pollutant formation and control, 1970-1980. Final report

    SciTech Connect

    Beer, J.M.; Bowman, C.T.; Chen, S.L.; Corley, T.L.; De Soete, G.G.

    1990-05-01

    The report documents the support role of EPA's Air and Energy Engineering Research Laboratory in the major research effort directed by EPA in the 1970s to understand pollutant formation during pulverized coal combustion (PCC). Understanding the conversion of fuel nitrogen to nitrogen oxides (NOx) is important, since changes in the combustion process designed to control NOx emission may also influence the formation of soot, polycyclic aromatic hydrocarbons (PAHs), unburned carbon, and the vaporization of inorganic constituents. In addition, reduction of sulfur oxides (SOx) while maintaining low NOx levels is also important. The document is a detailed monograph, written by 19 coauthors, covering such topics as: the high temperature decomposition and combustion of pulverized coal, characterization of coal and coal thermal decomposition, the fate of fuel nitrogen and ash during combustion of pulverized coal particles, kinetic modeling of gas-phase chemistry in coal volatiles combustion, soot and PAH formation in PCC, the combustion rates of pulverized coal char particles, reduction of nitric oxide by solid particles, bench-scale experiments on the formation and control of NOx emissions from PCC, and the optimization of burner/combustion-chamber design to minimize NOx formation during PCC.

  20. Combustion Science for Cleaner Fuels

    SciTech Connect

    Ahmed, Musahid

    2014-10-17

    Musahid Ahmed discusses how he and his team use the Advanced Light Source (ALS) to study combustion chemistry at our '8 Big Ideas' Science at the Theater event on October 8th, 2014, in Oakland, California.

  1. Absorption of hydrocarbon vapors by vulcanized rubber

    SciTech Connect

    Snyder, R.H.

    1988-03-01

    A method of substantially precluding accumulation of combustible hydrocarbon vapors in the air of a closed substantially empty holding tank is described comprising: placing an effective combustion preventing amount of vulcanized rubber particles in the size range from 6 mesh to 200 mesh in contact with the hydrocarbon vapors within the holding tank, and, absorbing the vapors emanating from residue in the tank whereby a sufficient amount of the vapors are absorbed into the vulcanized rubber particles to ensure that the hydrocarbon vapor/air ratio is below the explosive envelop. A method of substantially precluding accumulation of combustible hydrocarbon vapors in the air of a closed substantially empty holding tank is described comprising: (a) placing an effective combustion preventing amount of vulcanized rubber particles in the size range from 6 mesh to 200 mesh in contact with the hydrocarbon vapors within the holding tank, and, (b) absorbing the vapors emanating from residue in the tank whereby a sufficient amount of the vapors are absorbed into the vulcanized rubber particles to ensure that the hydrocarbon vapor/air ratio is below the explosive envelop; (c) removing the vulcanized rubber particles with the absorbed hydrocarbon vapors from the container; and (d) desorbing the hydrocarbon vapors from the vulcanized rubber particles.

  2. A Study of Cavitation-Ignition Bubble Combustion

    NASA Technical Reports Server (NTRS)

    Nguyen, Quang-Viet; Jacqmin, David A.

    2005-01-01

    We present the results of an experimental and computational study of the physics and chemistry of cavitation-ignition bubble combustion (CIBC), a process that occurs when combustible gaseous mixtures are ignited by the high temperatures found inside a rapidly collapsing bubble. The CIBC process was modeled using a time-dependent compressible fluid-dynamics code that includes finite-rate chemistry. The model predicts that gas-phase reactions within the bubble produce CO and other gaseous by-products of combustion. In addition, heat and mechanical energy release through a bubble volume-expansion phase are also predicted by the model. We experimentally demonstrate the CIBC process using an ultrasonically excited cavitation flow reactor with various hydrocarbon-air mixtures in liquid water. Low concentrations (< 160 ppm) of carbon monoxide (CO) emissions from the ultrasonic reactor were measured, and found to be proportional to the acoustic excitation power. The results of the model were consistent with the measured experimental results. Based on the experimental findings, the computational model, and previous reports of the "micro-diesel effect" in industrial hydraulic systems, we conclude that CIBC is indeed possible and exists in ultrasonically- and hydrodynamically-induced cavitation. Finally, estimates of the utility of CIBC process as a means of powering an idealized heat engine are also presented.

  3. Synthetic fuel aromaticity and staged combustion

    SciTech Connect

    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.

  4. Hydrocarbon conversion

    SciTech Connect

    Koepke, J.W.; Abdo, S.F.

    1989-10-03

    This patent describes a hydrocracking process. It comprises: catalyzing a hydrocracking reaction by contacting a hydrocarbon feedstock with a hydrocracking catalyst under hydrocracking conditions to produce a product hydrocarbon having an increased octane number than the hydrocarbon feedstock. The hydrocracking catalyst consists essentially of at least one niobium component, at least one Group VIII metal component and at least one cracking component.

  5. Combustion Fundamentals Research

    NASA Technical Reports Server (NTRS)

    1984-01-01

    The various physical processes that occur in the gas turbine combustor and the development of analytical models that accurately describe these processes are discussed. Aspects covered include fuel sprays; fluid mixing; combustion dynamics; radiation and chemistry and numeric techniques which can be applied to highly turbulent, recirculating, reacting flow fields.

  6. A comprehensive detailed chemical kinetic reaction mechanism for combustion of n-alkane hydrocarbons from n-octane to n-hexadecane

    SciTech Connect

    Westbrook, Charles K.; Pitz, William J.; Herbinet, Olivier; Silke, Emma J.; Curran, Henry J.

    2009-01-15

    Detailed chemical kinetic reaction mechanisms have been developed to describe the pyrolysis and oxidation of nine n-alkanes larger than n-heptane, including n-octane (n-C{sub 8}H{sub 18}), n-nonane (n-C{sub 9}H{sub 20}), n-decane (n-C{sub 10}H{sub 22}), n-undecane (n-C{sub 11}H{sub 24}), n-dodecane (n-C{sub 12}H{sub 26}), n-tridecane (n-C{sub 13}H{sub 28}), n-tetradecane (n-C{sub 14}H{sub 30}), n-pentadecane (n-C{sub 15}H{sub 32}), and n-hexadecane (n-C{sub 16}H{sub 34}). These mechanisms include both high temperature and low temperature reaction pathways. The mechanisms are based on previous mechanisms for the primary reference fuels n-heptane and iso-octane, using the reaction classes first developed for n-heptane. Individual reaction class rules are as simple as possible in order to focus on the parallelism between all of the n-alkane fuels included in the mechanisms. These mechanisms are validated through extensive comparisons between computed and experimental data from a wide variety of different sources. In addition, numerical experiments are carried out to examine features of n-alkane combustion in which the detailed mechanisms can be used to compare reactivities of different n-alkane fuels. The mechanisms for these n-alkanes are presented as a single detailed mechanism, which can be edited to produce efficient mechanisms for any of the n-alkanes included, and the entire mechanism, with supporting thermochemical and transport data, together with an explanatory glossary explaining notations and structural details, is available for download from our web page. (author)

  7. Measurements of C2-C7 hydrocarbons during the Polar Sunrise Experiment 1994: Further evidence for halogen chemistry in the troposphere

    NASA Astrophysics Data System (ADS)

    Ariya, P. A.; Jobson, B. T.; Sander, R.; Niki, H.; Harris, G. W.; Hopper, J. F.; Anlauf, K. G.

    1998-06-01

    Air samples for nonmethane hydrocarbon (NMHC) analysis were collected at two ground-based sites: Alert, Northwest Territories (82.5°N, 62.3°W) and Narwhal ice camp, an ice floe 140 km northwest of Alert, from Julian days 90 to 117, 1994, and on a 2-day aerial survey conducted on Julian days 89 and 90, 1994 over the Arctic archipelago. Several ozone depletion events and concurrent decreases in hydrocarbon concentrations relative to their background levels were observed at Alert and Narwhal ice camp. At Narwhal, a long period (≥7 days) of ozone depletion was observed during which a clear decay of alkane concentration occurred. A kinetic analysis led to a calculated Cl atom concentration of 4.5×103 cm-3 during this period. Several low-ozone periods concurrent with NMHC concentration decreases were observed over a widespread region of the Arctic region (82°-85°N, and 51°-65°W). Hydrocarbon measurements during the aerial survey indicated that the low concentrations of these species occurred only in the boundary layer. In all ozone depletion periods, concentration changes of alkanes and toluene were consistent with Cl atom reactions. The changes in ethyne concentration from its background level were in excess of those expected from Cl atom kinetics alone and are attributed to additional Br atom reactions. A box modeling exercise suggested that the Cl and particularly Br atom concentrations required to explain the hydrocarbon behavior are also sufficient to destroy ozone.

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

    SciTech Connect

    Westmoreland, P.R.

    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.

  9. Spectral optimization and uncertainty quantification in combustion modeling

    NASA Astrophysics Data System (ADS)

    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 become available, and it will be desirable to know the effect that inclusion of these data has on the optimized model. Two cases are considered here. In the first, a study of H2/CO mass burning rates has recently been published, wherein the experimentally-obtained results could not be reconciled with any extant H2/CO oxidation model. It is shown in that an optimized H2/CO model can be developed that will reproduce the results of the new experimental measurements. In addition, the high precision of the new experiments provide a strong constraint on the reaction rate parameters of the chemistry model, manifested in a significant improvement in the precision of simulations. In the second case, species time histories were measured during n-heptane oxidation behind reflected shock waves. The highly precise nature of these measurements is expected to impose critical constraints on chemical kinetic models of hydrocarbon combustion. The results show that while an as-compiled, prior reaction model of n-alkane combustion can be accurate in its prediction of the detailed species profiles, the kinetic parameter uncertainty in the model remains to be too large to obtain a precise prediction of the data. Constraining the prior model against the species time histories within the measurement uncertainties led to notable improvements in the precision of model predictions against the species data as well as the global combustion properties considered. Lastly, we show that while the capability of the multispecies measurement presents a step-change in our precise knowledge of the chemical processes in hydrocarbon combustion, accurate data of global combustion properties are still necessary to predict fuel combustion.

  10. Combustion aerosols: factors governing their size and composition and implications to human health.

    PubMed

    Lighty, J S; Veranth, J M; Sarofim, A F

    2000-09-01

    Particulate matter (PM) emissions from stationary combustion sources burning coal, fuel oil, biomass, and waste, and PM from internal combustion (IC) engines burning gasoline and diesel, are a significant source of primary particles smaller than 2.5 microns (PM2.5) in urban areas. Combustion-generated particles are generally smaller than geologically produced dust and have unique chemical composition and morphology. The fundamental processes affecting formation of combustion PM and the emission characteristics of important applications are reviewed. Particles containing transition metals, ultrafine particles, and soot are emphasized because these types of particles have been studied extensively, and their emissions are controlled by the fuel composition and the oxidant-temperature-mixing history from the flame to the stack. There is a need for better integration of the combustion, air pollution control, atmospheric chemistry, and inhalation health research communities. Epidemiology has demonstrated that susceptible individuals are being harmed by ambient PM. Particle surface area, number of ultrafine particles, bioavailable transition metals, polycyclic aromatic hydrocarbons (PAH), and other particle-bound organic compounds are suspected to be more important than particle mass in determining the effects of air pollution. Time- and size-resolved PM measurements are needed for testing mechanistic toxicological hypotheses, for characterizing the relationship between combustion operating conditions and transient emissions, and for source apportionment studies to develop air quality plans. Citations are provided to more specialized reviews, and the concluding comments make suggestions for further research. PMID:11055157

  11. HC quench layer formation in combustion processes. Technical progress report, September-December 1979

    SciTech Connect

    Lavoie, G A

    1980-02-01

    The project is aimed at understanding wall quenching and other processes responsible for surface generated hydrocarbons in combustion under engine-like conditions. The study concerns the effects of turbulence on the evolution of hydrocarbons. At the conclusion of the program, significant new experimental information will have been generated and an analytical model of the fluid mechanics and some aspects of the chemistry of quenching will be formulated. The work is divided into three tasks: (1) combustion bomb experiments to measure the effect of turbulence on the chemical species near the cold surface; combustion bomb experiments, using a similar turbulence generating device, to fully characterize the flow and turbulence in the vicinity of the quenching surface, and an analytical study to characterize fluid mechanical scales of interest in the boundary layer and to find an analytical solution to describe the evolution of the layer. The major accomplishments to date are (i) demonstration of the feasibility of single shot sampling valve operation and gas analysis in the Ford bomb under laminar combustion conditions, (ii) formulation of design rationale for turbulence generation scheme and bomb geometry, and (iii) formulation of an approach to modeling turbulent boundary layer conditions.

  12. Radiation Chemistry

    NASA Astrophysics Data System (ADS)

    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.

  13. Preliminary assessment of combustion modes for internal combustion wave rotors

    NASA Technical Reports Server (NTRS)

    Nalim, M. Razi

    1995-01-01

    Combustion within the channels of a wave rotor is examined as a means of obtaining pressure gain during heat addition in a gas turbine engine. Several modes of combustion are considered and the factors that determine the applicability of three modes are evaluated in detail; premixed autoignition/detonation, premixed deflagration, and non-premixed compression ignition. The last two will require strong turbulence for completion of combustion in a reasonable time in the wave rotor. The compression/autoignition modes will require inlet temperatures in excess of 1500 R for reliable ignition with most hydrocarbon fuels; otherwise, a supplementary ignition method must be provided. Examples of combustion mode selection are presented for two core engine applications that had been previously designed with equivalent 4-port wave rotor topping cycles using external combustion.

  14. New technique for calibrating hydrocarbon gas flowmeters

    NASA Astrophysics Data System (ADS)

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

    1984-06-01

    A technique for measuring calibration correction factors for hydrocarbon mass flowmeters is described. It is based on the Nernst theorem for matching the partial pressure of oxygen in the combustion products of the test hydrocarbon, burned in oxygen-enriched air, with that in normal air. It is applied to a widely used type of commercial thermal mass flowmeter for a number of hydrocarbons. The calibration correction factors measured using this technique are in good agreement with the values obtained by other independent procedures. The technique is successfully applied to the measurement of differences as low as one percent of the effective hydrocarbon content of the natural gas test samples.

  15. New technique for calibrating hydrocarbon gas flowmeters

    NASA Technical Reports Server (NTRS)

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

    1984-01-01

    A technique for measuring calibration correction factors for hydrocarbon mass flowmeters is described. It is based on the Nernst theorem for matching the partial pressure of oxygen in the combustion products of the test hydrocarbon, burned in oxygen-enriched air, with that in normal air. It is applied to a widely used type of commercial thermal mass flowmeter for a number of hydrocarbons. The calibration correction factors measured using this technique are in good agreement with the values obtained by other independent procedures. The technique is successfully applied to the measurement of differences as low as one percent of the effective hydrocarbon content of the natural gas test samples.

  16. Nox reduction system utilizing pulsed hydrocarbon injection

    DOEpatents

    Brusasco, Raymond M.; Penetrante, Bernardino M.; Vogtlin, George E.; Merritt, Bernard T.

    2001-01-01

    Hydrocarbon co-reductants, such as diesel fuel, are added by pulsed injection to internal combustion engine exhaust to reduce exhaust NO.sub.x to N.sub.2 in the presence of a catalyst. Exhaust NO.sub.x reduction of at least 50% in the emissions is achieved with the addition of less than 5% fuel as a source of the hydrocarbon co-reductants. By means of pulsing the hydrocarbon flow, the amount of pulsed hydrocarbon vapor (itself a pollutant) can be minimized relative to the amount of NO.sub.x species removed.

  17. Resonance ionization detection of combustion radicals

    SciTech Connect

    Cool, T.A.

    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.

  18. Organic Experiments for Introductory Chemistry.

    ERIC Educational Resources Information Center

    Rayner-Canham, Geoff

    1985-01-01

    Describes test-tube organic chemistry procedures (using comparatively safe reagents) for the beginning student. These procedures are used to: examine differences between saturated and unsaturated hydrocarbons; compare structural isomers; and compare organic and inorganic acids and bases. (DH)

  19. Organometallic chemistry of metal surfaces

    SciTech Connect

    Muetterties, E.L.

    1981-06-01

    The organometallic chemistry of metal surfaces is defined as a function of surface crystallography and of surface composition for a set of cyclic hydrocarbons that include benzene, toluene, cyclohexadienes, cyclohexene, cyclohexane, cyclooctatetraene, cyclooctadienes, cyclooctadiene, cycloheptatriene and cyclobutane. 12 figures.

  20. Sandia Combustion Research Program

    SciTech Connect

    Johnston, S.C.; Palmer, R.E.; Montana, C.A.

    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.

  1. Combustion noise

    NASA Technical Reports Server (NTRS)

    Strahle, W. C.

    1977-01-01

    A review of the subject of combustion generated noise is presented. Combustion noise is an important noise source in industrial furnaces and process heaters, turbopropulsion and gas turbine systems, flaring operations, Diesel engines, and rocket engines. The state-of-the-art in combustion noise importance, understanding, prediction and scaling is presented for these systems. The fundamentals and available theories of combustion noise are given. Controversies in the field are discussed and recommendations for future research are made.

  2. Method for in situ combustion

    DOEpatents

    Pasini, III, Joseph; Shuck, Lowell Z.; Overbey, Jr., William K.

    1977-01-01

    This invention relates to an improved in situ combustion method for the recovery of hydrocarbons from subterranean earth formations containing carbonaceous material. The method is practiced by penetrating the subterranean earth formation with a borehole projecting into the coal bed along a horizontal plane and extending along a plane disposed perpendicular to the plane of maximum permeability. The subterranean earth formation is also penetrated with a plurality of spaced-apart vertical boreholes disposed along a plane spaced from and generally parallel to that of the horizontal borehole. Fractures are then induced at each of the vertical boreholes which project from the vertical boreholes along the plane of maximum permeability and intersect the horizontal borehole. The combustion is initiated at the horizontal borehole and the products of combustion and fluids displaced from the earth formation by the combustion are removed from the subterranean earth formation via the vertical boreholes. Each of the vertical boreholes are, in turn, provided with suitable flow controls for regulating the flow of fluid from the combustion zone and the earth formation so as to control the configuration and rate of propagation of the combustion zone. The fractures provide a positive communication with the combustion zone so as to facilitate the removal of the products resulting from the combustion of the carbonaceous material.

  3. Accelerating the Computation of Detailed Chemical Reaction Kinetics for Simulating Combustion of Complex Fuels

    SciTech Connect

    Sankaran, R.; Grout, R.

    2012-01-01

    Combustion of hydrocarbon fuels has been a very challenging scientific and engineering problem due to the complexity of turbulent flows and hydrocarbon reaction kinetics. There is an urgent need to develop an efficient modeling capability to accurately predict the combustion of complex fuels. Detailed chemical kinetic models for the surrogates of fuels such as gasoline, diesel and JP-8 consist of thousands of chemical species and Arrhenius reaction steps. Oxygenated fuels such as bio-fuels and heavier hydrocarbons, such as from newer fossil fuel sources, are expected to have a much more complex chemistry requiring increasingly larger chemical kinetic models. Such models are beyond current computational capability, except for homogeneous or partially stirred reactor type calculations. The advent of highly parallel multi-core processors and graphical processing units (GPUs) promises a steep increase in computational performance in the coming years. This paper will present a software framework that translates the detailed chemical kinetic models to high-performance code targeted for GPU accelerators.

  4. Accelerating the Computation of Detailed Chemical Reaction Kinetics for Simulating Combustion of Complex Fuels

    SciTech Connect

    Grout, Ray W

    2012-01-01

    Combustion of hydrocarbon fuels has been a very challenging scientific and engineering problem due to the complexity of turbulent flows and hydrocarbon reaction kinetics. There is an urgent need to develop an efficient modeling capability to accurately predict the combustion of complex fuels. Detailed chemical kinetic models for the surrogates of fuels such as gasoline, diesel and JP-8 consist of thousands of chemical species and Arrhenius reaction steps. Oxygenated fuels such as bio-fuels and heavier hydrocarbons, such as from newer fossil fuel sources, are expected to have a much more complex chemistry requiring increasingly larger chemical kinetic models. Such models are beyond current computational capability, except for homogeneous or partially stirred reactor type calculations. The advent of highly parallel multi-core processors and graphical processing units (GPUs) promises a steep increase in computational performance in the coming years. This paper will present a software framework that translates the detailed chemical kinetic models to high- performance code targeted for GPU accelerators.

  5. A Novel Philosophy for a First Course in Organic Chemistry.

    ERIC Educational Resources Information Center

    Newman, Melvin S.

    1982-01-01

    Focusing on research is suggested as an approach for teaching organic chemistry for nonmajors. Topics of saturated hydrocarbons and unsaturated hydrocarbons are used as examples to illustrate the approach. (SK)

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

    PubMed

    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). PMID:24632369

  7. Hydrocarbon-enhanced particulate filter regeneration via microwave ignition

    DOEpatents

    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.

  8. Combustion, 2nd edition

    SciTech Connect

    Glassman, I.

    1987-01-01

    The uniqueness of this book centers on the presentation of physical insights that are essential to understanding combustion. The approach is to reduce complexity by stressing physical aspects. The second edition has added, in addition to selective material in each chapter, problem sets which makes the book more suitable for the classroom. The book is divided into nine chapters. Chapter 1 is devoted to fundamental thermodynamic concepts. Chemical kinetics are covered in Chapter 2. The general oxidation characteristics of fuels and explosions are covered in Chapter 3. Chapter 4 covers flame phenomena in premixed combustible gases. Detonation is covered in Chapter 5. Chapter 6 deals with diffusion flames. Ignition is covered in Chapter 7. Chapter 8 deals with environmental considerations in combustion processes. The combustion in nonvolatile fuels is presented in Chapter 9. The Appendices of the book include: thermochemical data; reaction rate constants; dissociation energies of various hydrocarbons; laminar flame speeds; flammability limits in air; spontaneous ignition temperature data; and minimum spark ignition energies and quenching distances.

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

    SciTech Connect

    Szybist, James P; Steeper, Richard R.; Splitter, Derek A; Kalaskar, Vickey B; Pihl, Josh A; Daw, C Stuart

    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.

  10. Simulating Combustion

    NASA Astrophysics Data System (ADS)

    Merker, G.; Schwarz, C.; Stiesch, G.; Otto, F.

    The content spans from simple thermodynamics of the combustion engine to complex models for the description of the air/fuel mixture, ignition, combustion and pollutant formation considering the engine periphery of petrol and diesel engines. Thus the emphasis of the book is on the simulation models and how they are applicable for the development of modern combustion engines. Computers can be used as the engineers testbench following the rules and recommendations described here.

  11. Hydrocarbon Chemistry in the Atmospheres of Titan and the Outer Planets: a Product Study of the CH3 + C2H3 and the C2H3 + C2H3 Reactions

    NASA Astrophysics Data System (ADS)

    Stief, L. J.; Thorn, R. P., Jr.; Payne, W. A.; Chillier, X. F.; Nesbitt, F. L.

    1997-07-01

    Reactions of the C2H3 radical play a prominent role in the hydrocarbon chemistry of the atmospheres of Titan and all the outer planets. An important reaction of C2H3 in these atmospheric systems is CH3 + C2H3 (1). The self reaction C2H3 + C2H3 (2), while of minor importance in atmospheric models, is a complicating secondary reaction in the study of CH3 + C2H3. We have determined the product branching ratios at low pressure (1.3 mbar He) and at T = 298 and 200 K for the C2H3 + C2H3 and the CH3 + C2H3 reactions. The only data available for both of these reactions is at T = 298 K and at rather high pressure (130 mbar). The measurements were performed in a discharge flow system coupled with collision-free sampling to a mass spectrometer operated at low electron energies. For the vinyl self reaction we measured the following product channel yields: C2H3 + C2H3 = C2H2 + C2H4, Gamma_ {2a} = 1.00; C2H3 + C2H3 = C4H6 (1,3-butadiene), Gamma_ {2b} < 0.01 at both T = 298 K and 200 K. For the methyl + vinyl reaction we measure : CH3 + C2H3 = C2H2 + CH4, Gamma_ {1a} = 0.90 at T= 298 K and 0.68 at T = 200 K; CH3 + C2H3 = C3H6 (propylene), Gamma_ {2b} = 0.10 at T = 298 K and 0.32 at T = 200 K. Future photochemical models of the outer planets and satellites should use the more appropriate low temperature/low pressure data. The disproportionation channel (Gamma_ {a}) for all three reactions reforms C2H2 while the combination reaction (Gamma_ {b}) leads to the larger hydrocarbon species C2H4, C3H6 and C4H6. The competition between the disproportionation and combination channels as a function of temperature and pressure has a pronounced effect on the chemical composition of planetary atmospheres as a function of altitude.

  12. Formation of polycyclic aromatic hydrocarbons in circumstellar envelopes

    NASA Technical Reports Server (NTRS)

    Frenklach, Michael; Feigelson, Eric D.

    1989-01-01

    Production of polycyclic aromatic hydrocarbons in carbon-rich circumstellar envelopes was investigated using a kinetic approach. A detailed chemical reaction mechanism of gas-phase PAH formation and growth, containing approximately 100 reactions of 40 species, was numerically solved under the physical conditions expected in cool stellar winds. The chemistry is based on studies of soot production in hydrocarbon pyrolysis and combustion. Several first-ring and second-ring cyclization processes were considered. A linear lumping algorithm was used to describe PAH growth beyond the second aromatic ring. PAH production using this mechanism was examined with respect to a grid of idealized constant velocity stellar winds as well as several published astrophysical models. The basic result is that the onset of PAH production in the interstellar envelopes is predicted to occur within the temperature interval of 1100 to 900 K. The absolute amounts of the PAHs formed, however, are very sensitive to a number of parameters, both chemical and astrophysical, whose values are not accurately known. Astrophysically meaningful quantities of PAHs require particularly dense and slow stellar winds and high initial acetylene abundance. It is suggested that most of the PAHs may be produced in a relatively small fraction of carbon-rich red giants.

  13. Stratospheric chemistry

    NASA Technical Reports Server (NTRS)

    Cox, R. A.; Demore, W. B.; Ferguson, E. E.; Lesclaux, R.; Ravishankara, A. R.; Sander, S. P.; Sze, N. D.; Zellner, R.

    1985-01-01

    Recent improvements in the data base for the currently identified reactions describing the chemistry of the major families of trace gas species, HO(x), NO(x), ClO(x), and hydrocarbons are assessed. The important coupling reactions between the families are introduced progressively. Chemical aspects such as heterogeneous reactions and reactions of sodium species, the importance of which are not yet completely established, are discussed. Recent attempts to reconcile some of the more unexpected kinetic behavior which has emerged from the extensive experimental studies of key reactions with current reaction rate theory are also examined. The uncertainties in the current kinetic and photochemical data base is given. The prospects for improvement of data for known reactions of atmospheric importance as well as for the identification of gaps in the chemical description of the atmosphere.

  14. Mid-IR laser absorption diagnostics for hydrocarbon vapor sensing in harsh environments

    NASA Astrophysics Data System (ADS)

    Klingbeil, Adam Edgar

    Fuel/air stoichiometry is an important parameter in modern combustion devices because it has a profound influence on efficiency, power, and pollutant formation. As engine technologies continue to advance, diagnostics and sensors are becoming essential for studying fundamental combustion processes and characterizing performance of combustion-based engines. Optical-absorption diagnostics have been used previously to probe various species in these environments and to infer quantities such as concentration, temperature, pressure, and velocity. However, there have been only a limited number of demonstrations of optical diagnostics for hydrocarbon fuels. This thesis describes the development of mid-IR optical-absorption sensors for time-resolved measurements of hydrocarbon species to infer critical parameters such as concentration and temperature. These sensors provide the necessary sensitivity and time resolution for measurements in shock tubes, pulse detonation engines, and internal combustion engines. Different aspects of the research conducted are summarized below. An FTIR spectrometer is used to measure the temperature-dependent absorption spectra of a selection of hydrocarbon species and blended fuels in the ˜3.3 mum region of the fundamental C-H stretching vibration. This spectroscopic library provides the first high-temperature spectral information for many of the species studied and facilitates development of sensitive diagnostics for various applications. This unique database also enables modelling of the absorption spectra of blended fuels such as gasoline. An ethylene and propane diagnostic is designed for measuring fuel concentration in a pulse detonation engine using a fixed-wavelength helium-neon laser. Time-resolved measurements during fired tests of a repetitively pulsed engine reveal non-ideal cycle-to-cycle interactions that cause a substantial amount of fuel to leave the engine unburned. By quantifying the fuel loading and identifying the amount of unburned fuel, engine performance can be characterized and future engine designs can be improved to utilize all of the fuel supplied to the engine. Simultaneous measurement of absorption at two wavelengths is used as a basis for hydrocarbon detection in severe environments. A novel wavelength-tunable mid-IR laser is modified to rapidly switch between two wavelengths, improving the versatility of this laser system. The two-wavelength technique is then exploited to measure vapor concentration while rejecting interferences such as scattering from liquid droplets and absorption from other species. This two-wavelength laser is also used to simultaneously determine temperature and vapor concentration. These techniques, in combination with the library of temperature-dependent hydrocarbon spectra, lay the groundwork necessary to develop fuel diagnostics for laboratory experiments and tests in pulse detonation engines and internal combustion engines. The temperature-dependent spectroscopy of gasoline is examined to develop a sensor for fuel/air ratio in an internal combustion engine. A wavelength was selected for good sensitivity to gasoline concentration. A spectroscopic model is developed that uses the relative concentrations of five structural classes to predict the absorption spectrum of gasoline samples with varying composition. The model is tested on 21 samples of gasoline for temperatures ranging from 300 to 1200 K, showing good agreement between model and measurements over the entire temperature range. Finally, a two-wavelength diagnostic was developed to measure the post-evaporation temperature and n-dodecane concentration in an aerosol-laden shock tube. The experimental data validate a model which calculates the effects of shock-wave compression on a two-phase mixture. The measured post-shock temperature and vapor concentration compare favorably for gas-phase and aerosol experiments. The agreement between the two fuel-loading techniques verifies that this aerosol shock tube can be used to study hydrocarbon chemistry for low-vapor-pressure compounds. The diagnostics and techniques presented here illustrate the utility and some potential applications of mid-IR laser absorption diagnostics for combustion systems.

  15. Kinetic data base for combustion modeling

    SciTech Connect

    Tsang, W.; Herron, J.T.

    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.

  16. Combustion engine. [for air pollution control

    NASA Technical Reports Server (NTRS)

    Houseman, J. (Inventor)

    1977-01-01

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

  17. Apparatus for hydrocarbon extraction

    DOEpatents

    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.

  18. In-Cylinder Reaction Chemistry and Kinetics During Negative Valve Overlap Fuel Injection Under Low-Oxygen Conditions

    SciTech Connect

    Kalaskar, Vickey B; Szybist, James P; Splitter, Derek A; Pihl, Josh A; Gao, Zhiming; Daw, C Stuart

    2013-01-01

    Fuel injection into the negative valve overlap (NVO) period is a common method for controlling combustion phasing in homogeneous charge compression ignition (HCCI) as well as other forms of advanced combustion. During this event, at least a portion of the fuel hydrocarbons can be converted to products containing significant levels of H2 and CO, as well as other short chain hydrocarbons by means of thermal cracking, water-gas shift, and partial oxidation reactions, depending on the availability of oxygen and the time-temperature-pressure history. The resulting products alter the autoignition properties of the combined fuel mixture for HCCI. Fuel-rich chemistry in a partial oxidation environment is also relevant to other high efficiency engine concepts (e.g., the dedicated EGR (D-EGR) concept from SWRI). In this study, we used a unique 6-stroke engine cycle to experimentally investigate the chemistry of a range of fuels injected during NVO under low oxygen conditions. Fuels investigated included iso-octane, iso-butanol, ethanol, and methanol. Products from NVO chemistry were highly dependent on fuel type and injection timing, with iso-octane producing less than 1.5% hydrogen and methanol producing more than 8%. We compare the experimental trends with CHEMKIN (single zone, 0-D model) predictions using multiple kinetic mechanisms available in the current literature. Our primary conclusion is that the kinetic mechanisms investigated are unable to accurately predict the magnitude and trends of major species we observed.

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

    SciTech Connect

    Westmoreland, P.R.

    1992-03-01

    The program 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 to be studies are (1) the oxidation reactions of O and OH with C{sub 3}'s and (2) the growth reactions of C{sub 3}H{sub 5} and C{sub 3}H{sub 3} with themselves and with unsaturated hydrocarbons. Our approach combines molecular-beam mass spectroscopy (MBMS) experiments which give concentrations of stable species and free radicals in low-pressure flat flames; theoretical predictions of rate constants by thermochemical kinetics, Biomedical Quantum-RRK, RRKM, and master- equation theory; and whole-flame modeling using full mechanisms of elementary reactions. Detailed MBMS flame data are the principal results of the first nine months of the grant. Spatial profiles of temperature, area expansion ratio, and mole fraction have been mapped in two low-pressure flat flames, one fuel-lean ({phi} = 0.229) and the other fuel-rich ({phi} = 1.64) in propene/oxygen/argon. Species identities and trends suggest certain chemical pathways, but reaction theory and flame modeling are beginning to provide specific, quantitative insights into oxidation and growth chemistry. 5 refs., 23 figs., 1 tab.

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

    SciTech Connect

    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.

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

    SciTech Connect

    Gusinow, M.A.

    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.

  2. Combustion of droplets and sprays

    NASA Astrophysics Data System (ADS)

    Eigenbrod, Christian; Sattelmayer, Thomas; Bler, Stefan; Mauss, Fabian; Meisl, Jrgen; Oomens, Bas; Rackwitz, Leif; Tait, Nigel; Angelberger, Christian; Eilts, Peter; Magnusson, Ingemar; Lauvergne, Romain; Tatschl, Reinhard

    2005-10-01

    The combustion of liquid hydrocarbon fuels in internal combustion engines and gas turbines for energy production and aircraft propulsion is intrinsically tied to the formation of pollutants. Apart from aiming for the highest combustion efficiencies in order to lower the operational costs and the emission of CO2, the reduction of poisonous and environmentally harmful exhaust constituents is a challenging task for scientists and engineers. The most prominent pollutants are soot, identified to trigger respiratory diseases and cancer, and nitric oxides such as NO and NO2, which promote the formation of ozone affecting the cardiovascular system when released in the lower atmosphere. Soot and nitric oxides are greenhouse pollutants in the upper atmosphere. Even though only 2-3% of the anthropogenic emission of nitric oxides are contributed by aircraft, it is the only emission at high altitudes. Unfortunately, it has the greatest impact on climate there and it does not matter whether the fuels are fossil or, in the future, biomass.

  3. On-line measurement of heat of combustion

    NASA Technical Reports Server (NTRS)

    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.

  4. Free-radicals aided combustion with scramjet applications

    NASA Technical Reports Server (NTRS)

    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.

  5. Low NOx combustion using cogenerated oxygen and nitrogen streams

    DOEpatents

    Kobayashi, Hisashi (Putnam Valley, NY); Bool, Lawrence E. (East Aurora, NY); Snyder, William J. (Ossining, NY)

    2009-02-03

    Combustion of hydrocarbon fuel is achieved with less formation of NOx by feeding the fuel into a slightly oxygen-enriched atmosphere, and separating air into oxygen-rich and nitrogen-rich streams which are fed separately into the combustion device.

  6. Combustion detector

    NASA Technical Reports Server (NTRS)

    Trimpi, R. L.; Nealy, J. E.; Grose, W. L. (Inventor)

    1973-01-01

    A device has been developed for generating a rapid response signal upon the radiation-emitting combustion reaction of certain gases in order to provide a means for the detection and identification of such reaction and concurrently discriminate against spurious signals. This combustion might be the first stage of a coal mine explosion process, and thereby this device could provide a warning of the impending explosion in time to initiate quenching action. This device has the capability of distinguishing between the light emitted from a combustion reaction and the light emitted by miners' lamps, electric lamps, welding sparks or other spurious events so that the quenching mechanism is triggered only when an explosion-initiating combustion occurs.

  7. Handbook of infrared radiation from combustion gases

    NASA Technical Reports Server (NTRS)

    Ludwig, C. B.; Malkmus, W.; Reardon, J. E.; Thomson, J. A. L.; Goulard, R. (Editor)

    1973-01-01

    The treatment of radiant emission and absorption by combustion gases are discussed. Typical applications include: (1) rocket combustion chambers and exhausts, (2) turbojet engines and exhausts, and (3) industrial furnaces. Some mention is made of radiant heat transfer problems in planetary atmospheres, in stellar atmospheres, and in reentry plasmas. Particular consideration is given to the temperature range from 500K to 3000K and the pressure range from 0.001 atmosphere to 30 atmospheres. Strong emphasis is given to the combustion products of hydrocarbon fuels with oxygen, specifically to carbon dioxide, water vapor, and carbon monoxide. In addition, species such as HF, HC1, CN, OH, and NO are treated.

  8. Combustion physics

    NASA Astrophysics Data System (ADS)

    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.

  9. Toward solar fuels: photocatalytic conversion of carbon dioxide to hydrocarbons.

    PubMed

    Roy, Somnath C; Varghese, Oomman K; Paulose, Maggie; Grimes, Craig A

    2010-03-23

    The past several decades have seen a significant rise in atmospheric carbon dioxide levels resulting from the combustion of hydrocarbon fuels. A solar energy based technology to recycle carbon dioxide into readily transportable hydrocarbon fuel (i.e., a solar fuel) would help reduce atmospheric CO2 levels and partly fulfill energy demands within the present hydrocarbon based fuel infrastructure. We review the present status of carbon dioxide conversion techniques, with particular attention to a recently developed photocatalytic process to convert carbon dioxide and water vapor into hydrocarbon fuels using sunlight. PMID:20141175

  10. Size-extensivity-corrected multireference configuration interaction schemes to accurately predict bond dissociation energies of oxygenated hydrocarbons.

    PubMed

    Oyeyemi, Victor B; Krisiloff, David B; Keith, John A; Libisch, Florian; Pavone, Michele; Carter, Emily A

    2014-01-28

    Oxygenated hydrocarbons play important roles in combustion science as renewable fuels and additives, but many details about their combustion chemistry remain poorly understood. Although many methods exist for computing accurate electronic energies of molecules at equilibrium geometries, a consistent description of entire combustion reaction potential energy surfaces (PESs) requires multireference correlated wavefunction theories. Here we use bond dissociation energies (BDEs) as a foundational metric to benchmark methods based on multireference configuration interaction (MRCI) for several classes of oxygenated compounds (alcohols, aldehydes, carboxylic acids, and methyl esters). We compare results from multireference singles and doubles configuration interaction to those utilizing a posteriori and a priori size-extensivity corrections, benchmarked against experiment and coupled cluster theory. We demonstrate that size-extensivity corrections are necessary for chemically accurate BDE predictions even in relatively small molecules and furnish examples of unphysical BDE predictions resulting from using too-small orbital active spaces. We also outline the specific challenges in using MRCI methods for carbonyl-containing compounds. The resulting complete basis set extrapolated, size-extensivity-corrected MRCI scheme produces BDEs generally accurate to within 1 kcal/mol, laying the foundation for this scheme's use on larger molecules and for more complex regions of combustion PESs. PMID:25669533

  11. Size-extensivity-corrected multireference configuration interaction schemes to accurately predict bond dissociation energies of oxygenated hydrocarbons

    NASA Astrophysics Data System (ADS)

    Oyeyemi, Victor B.; Krisiloff, David B.; Keith, John A.; Libisch, Florian; Pavone, Michele; Carter, Emily A.

    2014-01-01

    Oxygenated hydrocarbons play important roles in combustion science as renewable fuels and additives, but many details about their combustion chemistry remain poorly understood. Although many methods exist for computing accurate electronic energies of molecules at equilibrium geometries, a consistent description of entire combustion reaction potential energy surfaces (PESs) requires multireference correlated wavefunction theories. Here we use bond dissociation energies (BDEs) as a foundational metric to benchmark methods based on multireference configuration interaction (MRCI) for several classes of oxygenated compounds (alcohols, aldehydes, carboxylic acids, and methyl esters). We compare results from multireference singles and doubles configuration interaction to those utilizing a posteriori and a priori size-extensivity corrections, benchmarked against experiment and coupled cluster theory. We demonstrate that size-extensivity corrections are necessary for chemically accurate BDE predictions even in relatively small molecules and furnish examples of unphysical BDE predictions resulting from using too-small orbital active spaces. We also outline the specific challenges in using MRCI methods for carbonyl-containing compounds. The resulting complete basis set extrapolated, size-extensivity-corrected MRCI scheme produces BDEs generally accurate to within 1 kcal/mol, laying the foundation for this scheme's use on larger molecules and for more complex regions of combustion PESs.

  12. Size-extensivity-corrected multireference configuration interaction schemes to accurately predict bond dissociation energies of oxygenated hydrocarbons

    SciTech Connect

    Oyeyemi, Victor B.; Krisiloff, David B.; Keith, John A.; Libisch, Florian; Pavone, Michele; Carter, Emily A.

    2014-01-28

    Oxygenated hydrocarbons play important roles in combustion science as renewable fuels and additives, but many details about their combustion chemistry remain poorly understood. Although many methods exist for computing accurate electronic energies of molecules at equilibrium geometries, a consistent description of entire combustion reaction potential energy surfaces (PESs) requires multireference correlated wavefunction theories. Here we use bond dissociation energies (BDEs) as a foundational metric to benchmark methods based on multireference configuration interaction (MRCI) for several classes of oxygenated compounds (alcohols, aldehydes, carboxylic acids, and methyl esters). We compare results from multireference singles and doubles configuration interaction to those utilizing a posteriori and a priori size-extensivity corrections, benchmarked against experiment and coupled cluster theory. We demonstrate that size-extensivity corrections are necessary for chemically accurate BDE predictions even in relatively small molecules and furnish examples of unphysical BDE predictions resulting from using too-small orbital active spaces. We also outline the specific challenges in using MRCI methods for carbonyl-containing compounds. The resulting complete basis set extrapolated, size-extensivity-corrected MRCI scheme produces BDEs generally accurate to within 1 kcal/mol, laying the foundation for this scheme's use on larger molecules and for more complex regions of combustion PESs.

  13. Initiation Chemistries in Hydrocarbon (Aut)Oxidation.

    PubMed

    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. PMID:26376332

  14. Hydrocarbon and nonhydrocarbon derivatives of cyclopropane

    NASA Technical Reports Server (NTRS)

    Slabey, Vernon A; Wise, Paul H; Gibbons, Louis C

    1953-01-01

    The methods used to prepare and purify 19 hydrocarbon derivatives of cyclopropane are discussed. Of these hydrocarbons, 13 were synthesized for the first time. In addition to the hydrocarbons, six cyclopropylcarbinols, five alkyl cyclopropyl ketones, three cyclopropyl chlorides, and one cyclopropanedicarboxylate were prepared as synthesis intermediates. The melting points, boiling points, refractive indices, densities, and, in some instances, heats of combustion of both the hydrocarbon and nonhydrocarbon derivatives of cyclopropane were determined. These data and the infrared spectrum of each of the 34 cyclopropane compounds are presented in this report. The infrared absorption bands characteristic of the cyclopropyl ring are discussed, and some observations are made on the contribution of the cyclopropyl ring to the molecular refractions of cyclopropane compounds.

  15. Apparatus for photocatalytic destruction of internal combustion engine emissions during cold start

    DOEpatents

    Janata, Jiri; McVay, Gary L.; Peden, Charles H.; Exarhos, Gregory J.

    1998-01-01

    A method and apparatus for the destruction of emissions from an internal combustion engine wherein a substrate coated with TiO.sub.2 is exposed to a light source in the exhaust system of an internal combustion engine thereby catalyzing oxidation/reduction reactions between gaseous hydrocarbons, carbon monoxide, nitrogen oxides and oxygen in the exhaust of the internal combustion engine.

  16. Sandia Combustion Research Program: Annual report, 1986

    SciTech Connect

    Not Available

    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.

  17. Chemical kinetics and combustion modeling

    SciTech Connect

    Miller, J.A.

    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.

  18. Research program on reduced combustion chamber heat loss effects on alternative fuel combustion

    SciTech Connect

    Daby, E.E.; Garwin, I.J.; Havstad, P.H.; Hunter, C.E.

    1988-10-01

    A research program was conducted to determine the effects of thermal barriers in the combustion chamber of a diesel engine on the combustion and emissions of selected alternative fuels. Comparison of steady state fuel economy, exhaust emissions, and combustion data of heat insulated, baseline water-cooled, and high compression ratio engines were made using three fuels. Fuels believed to be representative of the year 2000 fuel were selected for the study. In fact, the light cycle oil fuel used was similar to CAPE.32 fuel (No. 6). Ceramic coatings and solid ceramic inserts were used to insulate the combustion chamber of the heat insulated, uncooled engine. Fuel economy and NOx emissions were generally lower for the heat insulated, uncooled engine than for the baseline engine and high compression water-cooled engine. Light load hydrocarbons were lower for the high compression ratio engine than for those of the baseline engine; however, hydrocarbon emissions for the heat insulated engine were higher than those of the baseline engine over the complete range of engine operating conditions tested. Heat insulating the combustion chamber and operating the water-cooled engine at elevated intake air temperature and high compression ratio reduced ignition delay and premixed combustion while increasing the amount of diffusion combustion. Further optimization of the combustion chamber, air motion, and the injection system of the heat insulated, uncooled engine may result in additional reductions in exhaust emissions not observed during this study. 59 figs., 2 tabs.

  19. Formation of polycyclic aromatic hydrocarbons from bimolecular reactions of phenyl radicals at high temperatures.

    PubMed

    Constantinidis, P; Schmitt, H-C; Fischer, I; Yan, B; Rijs, A M

    2015-10-28

    The self-reaction of the phenyl radical is one of the key reactions in combustion chemistry. Here we study this reaction in a high-temperature flow reactor by IR/UV ion dip spectroscopy, using free electron laser radiation as mid-infrared source. We identified several major reaction products based on their infrared spectra, among them indene, 1,2-dihydronaphthalene, naphthalene, biphenyl and para-terphenyl. Due to the structural sensitivity of the method, the reaction products were identified isomer-selectively. The work shows that the formation of indene and naphthalene, which was previously considered to be evidence for the HACA (hydrogen abstraction C2H2 addition) mechanism in the formation of polycyclic aromatic hydrocarbons and soot can also be understood in a phenyl addition model. PMID:26457393

  20. Plasma Chemical Aspects Of Dust Formation In Hydrocarbon Plasmas

    SciTech Connect

    Berndt, J.; Kovacevic, E.; Stepanovic, O.; Stefanovic, I.; Winter, J.

    2008-09-07

    This contribution deals with some plasma chemical aspects of dust formation in hydrocarbon plasmas. The interplay between dust formation and plasma chemistry will be discussed by means of different experimental results. One specific example concerns the formation of benzene and the role of atomic hydrogen for plasma chemical processes and dust formation in hydrocarbon discharges.

  1. Biofuels Combustion

    NASA Astrophysics Data System (ADS)

    Westbrook, Charles K.

    2013-04-01

    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.

  2. Biofuels combustion.

    PubMed

    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. PMID:23298249

  3. Bubble Combustion

    NASA Technical Reports Server (NTRS)

    Corrigan, Jackie

    2004-01-01

    A method of energy production that is capable of low pollutant emissions is fundamental to one of the four pillars of NASA s Aeronautics Blueprint: Revolutionary Vehicles. Bubble combustion, a new engine technology currently being developed at Glenn Research Center promises to provide low emissions combustion in support of NASA s vision under the Emissions Element because it generates power, while minimizing the production of carbon dioxide (CO2) and nitrous oxides (NOx), both known to be Greenhouse gases. and allows the use of alternative fuels such as corn oil, low-grade fuels, and even used motor oil. Bubble combustion is analogous to the inverse of spray combustion: the difference between bubble and spray combustion is that spray combustion is spraying a liquid in to a gas to form droplets, whereas bubble combustion involves injecting a gas into a liquid to form gaseous bubbles. In bubble combustion, the process for the ignition of the bubbles takes place on a time scale of less than a nanosecond and begins with acoustic waves perturbing each bubble. This perturbation causes the local pressure to drop below the vapor pressure of the liquid thus producing cavitation in which the bubble diameter grows, and upon reversal of the oscillating pressure field, the bubble then collapses rapidly with the aid of the high surface tension forces acting on the wall of the bubble. The rapid and violent collapse causes the temperatures inside the bubbles to soar as a result of adiabatic heating. As the temperatures rise, the gaseous contents of the bubble ignite with the bubble itself serving as its own combustion chamber. After ignition, this is the time in the bubble s life cycle where power is generated, and CO2, and NOx among other species, are produced. However, the pollutants CO2 and NOx are absorbed into the surrounding liquid. The importance of bubble combustion is that it generates power using a simple and compact device. We conducted a parametric study using CAVCHEM, a computational model developed at Glenn, that simulates the cavitational collapse of a single bubble in a liquid (water) and the subsequent combustion of the gaseous contents inside the bubble. The model solves the time-dependent, compressible Navier-Stokes equations in one-dimension with finite-rate chemical kinetics using the CHEMKIN package. Specifically, parameters such as frequency, pressure, bubble radius, and the equivalence ratio were varied while examining their effect on the maximum temperature, radius, and chemical species. These studies indicate that the radius of the bubble is perhaps the most critical parameter governing bubble combustion dynamics and its efficiency. Based on the results of the parametric studies, we plan on conducting experiments to study the effect of ultrasonic perturbations on the bubble generation process with respect to the bubble radius and size distribution.

  4. Organic chemistry of the atmosphere

    SciTech Connect

    Hansen, L.D. . Dept. of Chemistry)

    1991-01-01

    This book reviews the information currently available regarding the chemistry of organic compounds in the atmosphere. Topics discussed include methods for collecting organic compounds from the atmosphere, the influence of organic compounds on indoor and outdoor air quality, the chemistry of polycyclic aromatic hydrocarbons, environmental tobacco smoke, organic compounds in rainwater, organic oxysulfur compounds, and the effect of organic compounds on visibility. Many of these topics presented have never been reviewed or have never appeared together in a single volume.

  5. Hydrocarbon foams

    SciTech Connect

    Raynolds, S.; Fournier, L.B.

    1984-02-21

    Liquid hydrocarbon foams containing from 0.05 to 5 wt. % of a fluorocarbon polymer containing from 25 to 60 wt. % units of the structure (C(-R/sub 2/)(-COO-(CH/sub 2/)N-(CF/sub 2/-CF/sub 2/)-R1)-CH/sub 2/) where -R/sup 1/ is -H or -F, m is an integer from 2 to 10, and n is 1 or 2 and 75 to 40 wt. % units of the structure (CH(-R/sub 2/)(-COO-R/sub 3/)-CH/sub 2/) where -R/sub 3/ is an alkyl group containing from 10 to 20 carbon atoms. The foams are useful as oil and gas well fracturing fluids and for applying the fluorocarbon polymer to textiles as an oil and water repellant.

  6. Composition, distribution, and characterization of polycyclic aromatic hydrocarbons in soil in Linfen, China

    SciTech Connect

    Fu, S.; Cheng, H.X.; Liu, Y.H.; Xia, X.J.; Xu, X.B.

    2009-02-15

    A total of 10 surface soil samples representing the entire area of Linfen City were collected and analyzed for the presence of 16 polycyclic aromatic hydrocarbons. The total polycyclic aromatic hydrocarbon concentration ranged from 1.1 to 63.7 {mu} g g{sup -1}. Analysis of the sources of contamination revealed that polycyclic aromatic hydrocarbons in the soil were derived from combustion sources. Specifically, the primary source of polycyclic aromatic hydrocarbons was coal combustion, but the samples were also effected to varying degrees by traffic emissions. Furthermore, increased levels of contamination were observed in northeast Linfen due to the distribution of industrial plants.

  7. Prediction of flame velocities of hydrocarbon flames

    NASA Technical Reports Server (NTRS)

    Dugger, Gordon L; Simon, Dorothy M

    1954-01-01

    The laminar-flame-velocity data previously reported by the Lewis Laboratory are surveyed with respect to the correspondence between experimental flame velocities and values predicted by semitheoretical and empirical methods. The combustible mixture variables covered are hydrocarbon structure (56 hydrocarbons), equivalence ratio of fuel-air mixture, mole fraction of oxygen in the primary oxygen-nitrogen mixture (0.17 to 0.50), and initial mixture temperature (200 degrees to 615 degrees k). The semitheoretical method of prediction considered are based on three approximate theoretical equations for flame velocity: the Semenov equation, the Tanford-Pease equation, and the Manson equation.

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

    SciTech Connect

    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.

  9. Addition agents effects on hydrocarbon fuels burning

    NASA Astrophysics Data System (ADS)

    Larionov, V. M.; Mitrofanov, G. A.; Sakhovskii, A. V.

    2016-01-01

    Literature review on addition agents effects on hydrocarbon fuels burning has been conducted. The impact results in flame pattern and burning velocity change, energy efficiency increase, environmentally harmful NOx and CO emission reduction and damping of self-oscillations in flow. An assumption about water molecules dissociation phenomenon existing in a number of practical applications and being neglected in most explanations for physical- chemical processes taking place in case of injection of water/steam into combustion zone has been noted. The hypothesis about necessity of water dissociation account has been proposed. It can be useful for low temperature combustion process control and NOx emission reduction.

  10. Numerical simulation of turbulent combustion: Scientific challenges

    NASA Astrophysics Data System (ADS)

    Ren, ZhuYin; Lu, Zhen; Hou, LingYun; Lu, LiuYan

    2014-08-01

    Predictive simulation of engine combustion is key to understanding the underlying complicated physicochemical processes, improving engine performance, and reducing pollutant emissions. Critical issues as turbulence modeling, turbulence-chemistry interaction, and accommodation of detailed chemical kinetics in complex flows remain challenging and essential for high-fidelity combustion simulation. This paper reviews the current status of the state-of-the-art large eddy simulation (LES)/prob-ability density function (PDF)/detailed chemistry approach that can address the three challenging modelling issues. PDF as a subgrid model for LES is formulated and the hybrid mesh-particle method for LES/PDF simulations is described. Then the development need in micro-mixing models for the PDF simulations of turbulent premixed combustion is identified. Finally the different acceleration methods for detailed chemistry are reviewed and a combined strategy is proposed for further development.

  11. Advanced Chemistry Basins Model

    SciTech Connect

    Blanco, Mario; Cathles, Lawrence; Manhardt, Paul; Meulbroek, Peter; Tang, Yongchun

    2003-02-13

    The objective of this project is to: (1) Develop a database of additional and better maturity indicators for paleo-heat flow calibration; (2) Develop maturation models capable of predicting the chemical composition of hydrocarbons produced by a specific kerogen as a function of maturity, heating rate, etc.; assemble a compositional kinetic database of representative kerogens; (3) Develop a 4 phase equation of state-flash model that can define the physical properties (viscosity, density, etc.) of the products of kerogen maturation, and phase transitions that occur along secondary migration pathways; (4) Build a conventional basin model and incorporate new maturity indicators and data bases in a user-friendly way; (5) Develop an algorithm which combines the volume change and viscosities of the compositional maturation model to predict the chemistry of the hydrocarbons that will be expelled from the kerogen to the secondary migration pathways; (6) Develop an algorithm that predicts the flow of hydrocarbons along secondary migration pathways, accounts for mixing of miscible hydrocarbon components along the pathway, and calculates the phase fractionation that will occur as the hydrocarbons move upward down the geothermal and fluid pressure gradients in the basin; and (7) Integrate the above components into a functional model implemented on a PC or low cost workstation.

  12. PCI: Toward cleaner combustion

    SciTech Connect

    1997-01-01

    Westinghouse Electric Corp. and Precision Combustion Inc. (PCI) have announced that they will cooperate on the development of a catalytic combustion system for possible use in the upcoming A.T.S. engine. As we learned during a recent visit, this is only one of many catalyst applications being explored by PCI. This paper discuses these developments and applications, which include: an ultra-low-emission catalytic converter for reciprocating auto exhaust systems, which would meet the American U.L.E.V. (ultra-low emission vehicle) regulations (0.2 gm/mi NO{sub x}, 1.7 gm/mi CO, 0.04 gm/mi hydrocarbons). This is named Microlith{sup TM}; a `flashback arrestor` to limit flash-back in gas turbines; a catalytic igniter, particularly suited to aero gas turbines. This would replace the spark ignition system, and would provide lean flame stabilization, as well as re-ignition in case of a flameout; a catalytic glow plug for diesel engines; and a catalytic muffler for very small reciprocating engines, such as those on lawn mowers.

  13. Turbulent combustion

    SciTech Connect

    Talbot, L.; Cheng, R.K.

    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.

  14. Revisiting hydrocarbons source appraisal in sediments exposed to multiple inputs.

    PubMed

    Massone, Carlos G; Wagener, Angela de L R; de Abreu, Henrique Monteiro; Veiga, lvaro

    2013-08-15

    The aim of this work was to test the efficiency of statistical methods as compared to the traditional diagnostic ratios to improve hydrocarbon source identification in sediments subjected to multiple inputs. Hydrocarbon determination in Guanabara Bay sediments pointed out high degradation and ubiquitous petrogenic pollution through the presence of high unresolved complex mixture. Polycyclic aromatic hydrocarbon (PAHs) ratios suggested pervasive contamination derived from combustion in all sediments and failed discriminating samples despite the specificity of sources in different sampling sites. Principal component analysis (PCA) effectively distinguished the petrogenic imprint superimposed to the ubiquitous combustion contamination, since this technique reduces the influence of PAHs distribution which is common to all samples. PCA associated to multivariate linear regression (MLR) allowed a quantitative assessment of sources confirming predominance of the pervasive contaminant component superimposed to a generalized petrogenic imprint. The pervasive component derives from combustion contributions as well as from differential PAHs degradation. PMID:23806671

  15. Toxic chlorinated and polyaromatic hydrocarbons in simulated house fires.

    PubMed

    Ruokojärvi, P; Aatamila, M; Ruuskanen, J

    2000-09-01

    Toxic chlorinated hydrocarbons (polychlorinated biphenyls, benzenes and dioxins and furans) and polyaromatic hydrocarbons were examined in combustion gas and deposited soot wipe samples from simulated house fires. Concentrations of these substances were high during the fires, the amounts of polychlorinated dioxins and furans (PCDD/Fs) in the combustion gas varying from 1.0 to >7.2 ng/m3 (I-TEQ) and those of polyaromatic hydrocarbons from 6.4 to 470 mg/m3. Thus large amounts of organic compounds may be released in house fires. As a result, there is a need for careful personal protection of fire-fighters and remediation workers against combustion gases during a fire and on contaminated surfaces after it. PMID:10864154

  16. Analytical combustion/emissions research related to the NASA High-Speed Research Program

    NASA Technical Reports Server (NTRS)

    Nguyen, H. L.

    1991-01-01

    A combustion analysis program aimed at upgrading and applying advanced computer programs for gas turbine applications is discussed. 2D and 3D codes, KIVA-II and LeRC-3D, have been used to provide insight into the combustion process and combustor design. The computations performed through these codes show their capability to produce reasonable results, despite such deficiencies in the current models as accurate chemical kinetics modeling of hydrocarbon combustion and turbulence and turbulence combustion interaction modeling.

  17. Nitration of polynuclear aromatic hydrocarbons in coal combustors and exhaust streams. [Determination of conditions of nitration, reactions,etc

    SciTech Connect

    Yu, Liya; Dadamio, J.; Hildemann, L.; Niksa, S.

    1992-08-01

    Nitro-polynuclear aromatic hydrocarbons (nitro-PAH) are the predominant mutagens on respirable particles from coal-fired boilers. Since nitro-PAH are not primary products of coal devolatilization, their formation must involve secondary chemistry at elevated temperatures. However, it is not known where in the combustion or exhaust processes they form, which reaction species are involved, or how concentrations are influenced by operating conditions. Results from this study will help to relate the environmental impact of mutagenic emissions to boiler firing strategies. The objectives of this three-year project are to (1) identify the conditions which promote the nitration of PAH during primary combustion, reburning, hot gas cleanup, and particulate removal; and (2) investigate the potential relationship between NO{sub x} abatement and PAH nitration. A novel coal flow reactor burning actual coal products operates over the domains of heating rates, temperatures, fuel-equivalence ratios, and residence times in utility boilers. A fluidized bed will be built for studies of simulated hot gas cleanup at lower temperatures. Gas chromatography with chemiluminescence detection will measure the aggregate amount of nitro groups present, to determine when nitro-PAH first appear, and how nitration is affected by the operating conditions. Tars from primary and secondary pyrolysis and oxidative pyrolysis will be fractionated into chain hydrocarbons, polynuclear aromatics, oxygenated species, and a basic fraction, so that their ring number distribution can be monitored with high performance liquid chromatography.

  18. Nitration of polynuclear aromatic hydrocarbons in coal combustors and exhaust streams. Quarterly report, September 1, 1991--December 31, 1991

    SciTech Connect

    Yu, Liya; Dadamio, J.; Hildemann, L.; Niksa, S.

    1992-08-01

    Nitro-polynuclear aromatic hydrocarbons (nitro-PAH) are the predominant mutagens on respirable particles from coal-fired boilers. Since nitro-PAH are not primary products of coal devolatilization, their formation must involve secondary chemistry at elevated temperatures. However, it is not known where in the combustion or exhaust processes they form, which reaction species are involved, or how concentrations are influenced by operating conditions. Results from this study will help to relate the environmental impact of mutagenic emissions to boiler firing strategies. The objectives of this three-year project are to (1) identify the conditions which promote the nitration of PAH during primary combustion, reburning, hot gas cleanup, and particulate removal; and (2) investigate the potential relationship between NO{sub x} abatement and PAH nitration. A novel coal flow reactor burning actual coal products operates over the domains of heating rates, temperatures, fuel-equivalence ratios, and residence times in utility boilers. A fluidized bed will be built for studies of simulated hot gas cleanup at lower temperatures. Gas chromatography with chemiluminescence detection will measure the aggregate amount of nitro groups present, to determine when nitro-PAH first appear, and how nitration is affected by the operating conditions. Tars from primary and secondary pyrolysis and oxidative pyrolysis will be fractionated into chain hydrocarbons, polynuclear aromatics, oxygenated species, and a basic fraction, so that their ring number distribution can be monitored with high performance liquid chromatography.

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

    DOEpatents

    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.

  20. Plasma chemistry and organic synthesis

    NASA Technical Reports Server (NTRS)

    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.

  1. Estimates of Cl atom concentrations and hydrocarbon kinetic reactivity in surface air at Appledore Island, Maine (USA), during International Consortium for Atmospheric Research on Transport and Transformation/Chemistry of Halogens at the Isles of Shoals

    NASA Astrophysics Data System (ADS)

    Pszenny, Alexander A. P.; Fischer, Emily V.; Russo, Rachel S.; Sive, Barkley C.; Varner, Ruth K.

    2007-05-01

    Average hydroxyl radical (OH) to chlorine atom (Cl) ratios ranging from 45 to 119 were determined from variability-lifetime relationships for selected nonmethane hydrocarbons (NMHC) in surface air from six different transport sectors arriving at Appledore Island, Maine, during July 2004. Multiplying these ratios by an assumed average OH concentration of 2.5 106 cm-3 yielded estimates of Cl concentrations of 2.2 to 5.6 104 cm-3. Summed reaction rates of methane and more than 30 abundant NMHCs with OH and Cl suggest that Cl reactions increased the kinetic reactivity of hydrocarbons by 16% to 30% over that due to OH alone in air associated with the various transport sectors. Isoprene and other abundant biogenic alkenes were the most important hydrocarbon contributors after methane to overall kinetic reactivity.

  2. FIELD SCREENING OF POLYCYCLIC HYDROCARBON CONTAMINATION IN SOIL USING A PORTABLE SYNCHRONOUS SCANNING SPECTROFLUOROMETER

    EPA Science Inventory

    Polycyclic aromatic hydrocarbon (PAH) contamination is a considerable problem at various hazardous waste sites. sources of PAH contamination include: incomplete combustion processes, wood preservatives, and the fuel industry. he development of rapid, cost-effective field screenin...

  3. Electrically heated particulate filter regeneration using hydrocarbon adsorbents

    DOEpatents

    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.

  4. Regenerative combustion device

    DOEpatents

    West, Phillip B.

    2004-03-16

    A regenerative combustion device having a combustion zone, and chemicals contained within the combustion zone, such as water, having a first equilibrium state, and a second combustible state. Means for transforming the chemicals from the first equilibrium state to the second combustible state, such as electrodes, are disposed within the chemicals. An igniter, such as a spark plug or similar device, is disposed within the combustion zone for igniting combustion of the chemicals in the second combustible state. The combustion products are contained within the combustion zone, and the chemicals are selected such that the combustion products naturally chemically revert into the chemicals in the first equilibrium state following combustion. The combustion device may thus be repeatedly reused, requiring only a brief wait after each ignition to allow the regeneration of combustible gasses within the head space.

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

    NASA Technical Reports Server (NTRS)

    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.

  6. Advanced Combustion

    SciTech Connect

    Holcomb, Gordon R.

    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).

  7. Combustion instability modeling and analysis

    SciTech Connect

    Santoro, R.J.; Yang, V.; Santavicca, D.A.; Sheppard, E.J.

    1995-12-31

    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. 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. The present study represents a coordinated effort between industry, government and academia to investigate gas turbine combustion dynamics. Specific study areas include development of advanced diagnostics, definition of controlling phenomena, advancement of analytical and numerical modeling capabilities, and assessment of the current status of our ability to apply these tools to practical gas turbine combustors. The present work involves four tasks which address, respectively, (1) the development of a fiber-optic probe for fuel-air ratio measurements, (2) the study of combustion instability using laser-based diagnostics in a high pressure, high temperature flow reactor, (3) the development of analytical and numerical modeling capabilities for describing combustion instability which will be validated against experimental data, and (4) the preparation of a literature survey and establishment of a data base on practical experience with combustion instability.

  8. Aviation combustion toxicology: an overview.

    PubMed

    Chaturvedi, Arvind K

    2010-01-01

    Aviation combustion toxicology is a subspecialty of the field of aerospace toxicology, which is composed of aerospace and toxicology. The term aerospace, that is, the environment extending above and beyond the surface of the Earth, is also used to represent the combined fields of aeronautics and astronautics. Aviation is another term interchangeably used with aerospace and aeronautics and is explained as the science and art of operating powered aircraft. Toxicology deals with the adverse effects of substances on living organisms. Although toxicology borrows knowledge from biology, chemistry, immunology, pathology, physiology, and public health, the most closely related field to toxicology is pharmacology. Economic toxicology, environmental toxicology, and forensic toxicology, including combustion toxicology, are the three main branches of toxicology. In this overview, a literature search for the period of 1960-2007 was performed and information related to aviation combustion toxicology collected. The overview included introduction; combustion, fire, and smoke; smoke gas toxicity; aircraft material testing; fire gases and their interactive effects; result interpretation; carboxyhemoglobin and blood cyanide ion levels; pyrolytic products of aircraft engine oils, fluids, and lubricants; and references. This review is anticipated to be an informative resource for aviation combustion toxicology and fire-related casualties. PMID:20109297

  9. Turbulent Combustion in SDF Explosions

    SciTech Connect

    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.

  10. Garbage to hydrocarbon fuel conversion system

    SciTech Connect

    Gould, W.A.

    1986-07-15

    A garbage to hydrocarbon fuel conversion system is described which consists of: (a) a source of combustible garbage; (b) means for pulverizing the garbage; (c) a furnace to burn the garbage; (d) means for transporting the pulverized garbage to the furnace which comprises a motor operated worm feed automatic stoker; (e) a steam generating coil inside the furnace which supplies live steam to power a turbine which in turn powers an alternating current generator; and a condenser which returns remaining the steam to a liquid state for re-circulation through the steam generating coils; (f) means for collecting incompletely combusted waste gases from the furnace; precipitating out dust and light oil for re-combustion in the furnace; and, extracting hydrocarbon gas; where in the means for precipitating out dust and light oil for re-combustion in the furnace comprise a cottrell precipitator wherein oil from an external source is mixed with fine dust received from the exhaust port, wherein an electrostatic charge helps to precipitate the dust; a dust and light oil mixer which provides a homogeneous mixture; and, an oil burner mounted to the furnace whose heat output is supplied to the furnace to add energy thereto; and (g) means for burning trapped heavy gases and removing waste ash from the furnace for disposal.

  11. Spherical combustion clouds in explosions

    NASA Astrophysics Data System (ADS)

    Kuhl, A. L.; Bell, J. B.; Beckner, V. E.; Balakrishnan, K.; Aspden, A. J.

    2013-05-01

    This study explores the properties of spherical combustion clouds in explosions. Two cases are investigated: (1) detonation of a TNT charge and combustion of its detonation products with air, and (2) shock dispersion of aluminum powder and its combustion with air. The evolution of the blast wave and ensuing combustion cloud dynamics are studied via numerical simulations with our adaptive mesh refinement combustion code. The code solves the multi-phase conservation laws for a dilute heterogeneous continuum as formulated by Nigmatulin. Single-phase combustion (e.g., TNT with air) is modeled in the fast-chemistry limit. Two-phase combustion (e.g., Al powder with air) uses an induction time model based on Arrhenius fits to Boiko's shock tube data, along with an ignition temperature criterion based on fits to Gurevich's data, and an ignition probability model that accounts for multi-particle effects on cloud ignition. Equations of state are based on polynomial fits to thermodynamic calculations with the Cheetah code, assuming frozen reactants and equilibrium products. Adaptive mesh refinement is used to resolve thin reaction zones and capture the energy-bearing scales of turbulence on the computational mesh (ILES approach). Taking advantage of the symmetry of the problem, azimuthal averaging was used to extract the mean and rms fluctuations from the numerical solution, including: thermodynamic profiles, kinematic profiles, and reaction-zone profiles across the combustion cloud. Fuel consumption was limited to ˜ 60-70 %, due to the limited amount of air a spherical combustion cloud can entrain before the turbulent velocity field decays away. Turbulent kinetic energy spectra of the solution were found to have both rotational and dilatational components, due to compressibility effects. The dilatational component was typically about 1 % of the rotational component; both seemed to preserve their spectra as they decayed. Kinetic energy of the blast wave decayed due to the pressure field. Turbulent kinetic energy of the combustion cloud decayed due to enstrophy overline{ω 2} and dilatation overline{Δ 2}.

  12. NASA Microgravity Combustion Science Program

    NASA Technical Reports Server (NTRS)

    King, Merrill K.

    1999-01-01

    Combustion has been a subject of increasingly vigorous scientific research for over a century, not surprising considering that combustion accounts for approximately 85% of the world's energy production and is a key element of many critical technologies used by contemporary society. Although combustion technology is vital to our standard of living, it also poses great challenges to maintaining a habitable environment. A major goal of combustion research is production of fundamental (foundational) knowledge that can be used in developing accurate simulations of complex combustion processes, replacing current "cut-and-try" approaches and allowing developers to improve the efficiency of combustion devices, to reduce the production of harmful emissions, and to reduce the incidence of accidental uncontrolled combustion. With full understanding of the physics and chemistry involved in a given combustion process, including details of the unit processes and their interactions, physically accurate models which can then be used for parametric exploration of new combustion domains via computer simulation can be developed, with possible resultant definition of radically different approaches to accomplishment of various combustion goals. Effects of gravitational forces on earth impede combustion studies more than they impede most other areas of science. The effects of buoyancy are so ubiquitous that we often do not appreciate the enormous negative impact that they have had on the rational development of combustion science. Microgravity offers potential for major gains in combustion science understanding in that it offers unique capability to establish the flow environment rather than having it dominated by uncontrollable (under normal gravity) buoyancy effects and, through this control, to extend the range of test conditions that can be studied. It cannot be emphasized too strongly that our program is dedicated to taking advantage of microgravity to untangle complications caused by gravity, allowing major strides in our understanding of combustion processes and in subsequent development of improved combustion devices leading to improved quality of life on Earth. Fire and/or explosion events aboard spacecraft could be devastating to international efforts to expand the human presence in space. Testing to date has shown that ignition and flame spread on fuel surfaces (e.g., paper, wire insulation) behave quite differently under partial gravity and microgravity conditions. In addition, fire signatures-i.e., heat release, smoke production, flame visibility, and radiation-are now known to be quite different in reduced gravity environments; this research has provided data to improve the effectiveness of fire prevention practices, smoke and fire detectors, and fire extinguishment systems. The more we can apply our scientific and technological understanding to potential fire behavior in microgravity and partial gravity, the more assurance can be given to those people whose lives depend on the environment aboard spacecraft or eventually on habitats on the Moon or Mars.

  13. Photolytic processes for measurement of combustion heats of formation and reaction rates. Final report

    SciTech Connect

    Halpern, J.B.; Okabe, H.

    1990-12-31

    This project includes measurements of the kinetics, fluorescence spectra and thermochemistry of alkoxy radicals which are important species in the combustion of hydrocarbons. RO radicals were produced by the laser photolysis of RONO.

  14. Sandia combustion research program: Annual report, 1987

    SciTech Connect

    Palmer, R.E.; Sanders, B.R.; Ivanetich, C.A.

    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.

  15. Chemical Kinetic Models for HCCI and Diesel Combustion

    SciTech Connect

    Pitz, W J; Westbook, C K; Mehl, M

    2008-10-30

    Hydrocarbon fuels for advanced combustion engines consist of complex mixtures of hundreds or even thousands of different components. These components can be grouped into a number of chemically distinct classes, consisting of n-paraffins, branched paraffins, cyclic paraffins, olefins, oxygenates, and aromatics. Biodiesel contains its own unique chemical class called methyl esters. The fractional amounts of these chemical classes are quite different in gasoline, diesel fuel, oil-sand derived fuels and bio-derived fuels, which contributes to the very different combustion characteristics of each of these types of combustion systems. The objectives of this project are: (1) Develop detailed chemical kinetic models for fuel components used in surrogate fuels for diesel and HCCI engines; (2) Develop surrogate fuel models to represent real fuels and model low temperature combustion strategies in HCCI and diesel engines that lead to low emissions and high efficiency; and (3) Characterize the role of fuel composition on low temperature combustion modes of advanced combustion engines.

  16. Safety in the Chemical Laboratory: Fire Safety and Fire Control in the Chemistry Laboratory.

    ERIC Educational Resources Information Center

    Wilbraham, A. C.

    1979-01-01

    Discusses fire safety and fire control in the chemistry laboratory. The combustion process, extinguishing equipment, extinguisher maintenance and location, and fire safety and practices are included. (HM)

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

    NASA Astrophysics Data System (ADS)

    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.

  18. Formation, metabolism, and mechanism of action of polycyclic aromatic hydrocarbons

    SciTech Connect

    Dipple, A.

    1983-05-01

    Polycyclic aromatic hydrocarbons are generated through inefficient combustion and, while initially released largely into the atmosphere, they are subsequently deposited in soil and water. They contaminate marine sources of food as well as vegetables and plants and can be generated during the smoking or broiling of fish and meat. The metabolic fate of hydrocarbons in mammalian systems has been extensively studied and, while many hydrocarbons are noncarcinogenic and efficiently detoxified, small fractions of some hydrocarbons are converted to electrophilic metabolites which are not effectively further metabolized and which are probably responsible for the carcinogenic properties of these hydrocarbons. These electrophilic metabolites are probably the bay-region dihydrodiol-epoxides, but at present the tumorigenic properties of the bay-region dihydrodiol-epoxides that have been tested are not as great as might be expected.

  19. Organic chemistry on Titan

    NASA Technical Reports Server (NTRS)

    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.

  20. Polycyclic aromatic hydrocarbon exhaust emissions from different reformulated diesel fuels and engine operating conditions

    NASA Astrophysics Data System (ADS)

    Borrás, Esther; Tortajada-Genaro, Luis A.; Vázquez, Monica; Zielinska, Barbara

    2009-12-01

    The study of light-duty diesel engine exhaust emissions is important due to their impact on atmospheric chemistry and air pollution. In this study, both the gas and the particulate phase of fuel exhaust were analyzed to investigate the effects of diesel reformulation and engine operating parameters. The research was focused on polycyclic aromatic hydrocarbon (PAH) compounds on particulate phase due to their high toxicity. These were analyzed using a gas chromatography-mass spectrometry (GC-MS) methodology. Although PAH profiles changed for diesel fuels with low-sulfur content and different percentages of aromatic hydrocarbons (5-25%), no significant differences for total PAH concentrations were detected. However, rape oil methyl ester biodiesel showed a greater number of PAH compounds, but in lower concentrations (close to 50%) than the reformulated diesel fuels. In addition, four engine operating conditions were evaluated, and the results showed that, during cold start, higher concentrations were observed for high molecular weight PAHs than during idling cycle and that the acceleration cycles provided higher concentrations than the steady-state conditions. Correlations between particulate PAHs and gas phase products were also observed. The emission of PAH compounds from the incomplete combustion of diesel fuel depended greatly on the source of the fuel and the driving patterns.

  1. Combustibility of titanium powders

    NASA Technical Reports Server (NTRS)

    Popov, Ye. I.; Poyarkov, V. G.; Finayev, Yu. A.

    1989-01-01

    The combustion of compact samples was studied; the mechanism of autoignition is defined. Several studies are made of the combustibility of titanium using 50 samples. The data provide a clear idea of the combustibility of titanium powders.

  2. Multi-Dimensional Measurements of Combustion Species in Flame Tube and Sector Gas Turbine Combustors

    NASA Technical Reports Server (NTRS)

    Hicks, Yolanda Royce

    1996-01-01

    The higher temperature and pressure cycles of future aviation gas turbine combustors challenge designers to produce combustors that minimize their environmental impact while maintaining high operation efficiency. The development of low emissions combustors includes the reduction of unburned hydrocarbons, smoke, and particulates, as well as the reduction of oxides of nitrogen (NO(x)). In order to better understand and control the mechanisms that produce emissions, tools are needed to aid the development of combustor hardware. Current methods of measuring species within gas turbine combustors use extractive sampling of combustion gases to determine major species concentrations and to infer the bulk flame temperature. These methods cannot be used to measure unstable combustion products and have poor spatial and temporal resolution. The intrusive nature of gas sampling may also disturb the flow structure within a combustor. Planar laser-induced fluorescence (PLIF) is an optical technique for the measurement of combustion species. In addition to its non-intrusive nature, PLIF offers these advantages over gas sampling: high spatial resolution, high temporal resolution, the ability to measure unstable species, and the potential to measure combustion temperature. This thesis considers PLIF for in-situ visualization of combustion species as a tool for the design and evaluation of gas turbine combustor subcomponents. This work constitutes the first application of PLIF to the severe environment found in liquid-fueled, aviation gas turbine combustors. Technical and applied challenges are discussed. PLIF of OH was used to observe the flame structure within the post flame zone of a flame tube combustor, and within the flame zone of a sector combustor, for a variety of fuel injector configurations. OH was selected for measurement because it is a major combustion intermediate, playing a key role in the chemistry of combustion, and because its presence within the flame zone can serve as a qualitative marker of flame temperature. All images were taken in the environment of actual engines during flight, using actual jet fuel. The results of the PLIF study led directly to the modification of a fuel injector.

  3. Chemical Kinetic Modeling of Biofuel Combustion

    NASA Astrophysics Data System (ADS)

    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 weight oxygenated compounds such as carbon monoxide, formaldehyde, and ketene. The study concludes that the oxygenated molecules in biofuels follow similar combustion pathways to the hydrocarbons in petroleum fuels. The oxygenated moiety's ability to sequester carbon from forming soot precursors is highlighted. However, the direct formation of oxygenated hydrocarbons warrants further investigation into the environmental and health impacts of practical biofuel combustion systems.

  4. Hydrocarbon recovery process

    SciTech Connect

    Killough, J.E.

    1987-07-07

    A process is described for recovering hydrocarbons from a subterranean, hydrocarbon-bearing formation comprising: (a) introducing microbes into the formation, the microbes being capable of acting to render at least a portion of the hydrocarbons in the formation more easily recoverable; (b) passing electrical energy through at least a portion of the formation without substantially raising the temperature of the formation; and (c) recovering hydrocarbons from the formation.

  5. Large Eddy Simulation of Pool Fires with Detailed Chemistry Using an Unsteady Flamelet Model

    NASA Astrophysics Data System (ADS)

    Rawat, Rajesh; Pitsch, Heinz

    2002-11-01

    An unsteady flamelet approach is implemented as a subgrid combustion model for large eddy simulation (LES) of buoyancy dominated large-scale pool fires. In fires, soot plays a major role in the overall heat transfer and, therefore, the dynamics of the fire. A chemical reaction mechanism that accounts for the formation and destruction of soot and of polycyclic aromatic hydrocarbons is very large. In the laminar flames application, for instance, it has been shown that an accurate description is crucial to achieve reasonable predictions. Unsteady flamelet models allow for the consideration of detailed chemical kinetic mechanisms and a state-of-the-art description of soot formation and oxidation. This model has recently been applied in RANS simulations and LES of turbulent jets including predictions of soot and NOx. The Lagrangian Flamelet model is incorporated into an existing LES fire code and applied to the gaseous methane pool fire experiment by Tieszen et al. (Combustion and Flame 4:378, 2002). The predicted values of soot volume fractions are compared with predictions from other combustion models commonly used in fires such as equilibrium chemistry and steady-state flamelet models. Based on the unsteady flamelet analysis, a mechanism for the formation of large amount of smoke seen in large-scale pool fires is also proposed.

  6. Gas turbine combustion and emission control

    NASA Astrophysics Data System (ADS)

    Schetter, B.

    The fundamentals of combustion are discussed in the context of gaseous and liquid fuels and gas turbine fuels. Methods for reducing the emission of pollutants in gas turbines are considered. These emissions are carbon monoxide, unburnt hydrocarbons, smoke/soot, nitrogen oxides, sulphur oxides, and carbon dioxide. The focus is on nitrogen oxides. The general principles of combustor and burner design are considered: aero/can type combustors, silo combustors, and annular combustors. Premix and diffusion flames are discussed.

  7. Hybrid lean premixing catalytic combustion system for gas turbines

    DOEpatents

    Critchley, Ian L.

    2003-12-09

    A system and method of combusting a hydrocarbon fuel is disclosed. The system combines the accuracy and controllability of an air staging system with the ultra-low emissions achieved by catalytic combustion systems without the need for a pre-heater. The result is a system and method that is mechanically simple and offers ultra-low emissions over a wide range of power levels, fuel properties and ambient operating conditions.

  8. Propellant Chemistry for CFD Applications

    NASA Technical Reports Server (NTRS)

    Farmer, R. C.; Anderson, P. G.; Cheng, Gary C.

    1996-01-01

    Current concepts for reusable launch vehicle design have created renewed interest in the use of RP-1 fuels for high pressure and tri-propellant propulsion systems. Such designs require the use of an analytical technology that accurately accounts for the effects of real fluid properties, combustion of large hydrocarbon fuel modules, and the possibility of soot formation. These effects are inadequately treated in current computational fluid dynamic (CFD) codes used for propulsion system analyses. The objective of this investigation is to provide an accurate analytical description of hydrocarbon combustion thermodynamics and kinetics that is sufficiently computationally efficient to be a practical design tool when used with CFD codes such as the FDNS code. A rigorous description of real fluid properties for RP-1 and its combustion products will be derived from the literature and from experiments conducted in this investigation. Upon the establishment of such a description, the fluid description will be simplified by using the minimum of empiricism necessary to maintain accurate combustion analyses and including such empirical models into an appropriate CFD code. An additional benefit of this approach is that the real fluid properties analysis simplifies the introduction of the effects of droplet sprays into the combustion model. Typical species compositions of RP-1 have been identified, surrogate fuels have been established for analyses, and combustion and sooting reaction kinetics models have been developed. Methods for predicting the necessary real fluid properties have been developed and essential experiments have been designed. Verification studies are in progress, and preliminary results from these studies will be presented. The approach has been determined to be feasible, and upon its completion the required methodology for accurate performance and heat transfer CFD analyses for high pressure, tri-propellant propulsion systems will be available.

  9. Molecular beam studies of oxygen atom reactions with unsaturated hydrocarbons

    SciTech Connect

    Schmoltner, A.-M.

    1989-10-01

    The dynamics of several elementary reactions relevant to combustion was investigated. The reactive scattering of ground state oxygen atoms with small unsaturated hydrocarbons was studied using a crossed molecular beam apparatus with a rotatable mass spectrometer detector. The infrared and ultraviolet photodissociation of anisole was studied using a rotating beam source/fixed detector apparatus. 253 refs., 64 figs., 4 tabs.

  10. Fundamental spectroscopic studies of carbenes and hydrocarbon radicals

    SciTech Connect

    Gottlieb, C.A.; Thaddeus, P.

    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.

  11. Modeling of Nitrogen Oxides Emissions from CFB Combustion

    NASA Astrophysics Data System (ADS)

    Kallio, S.; Keinonen, M.

    In this work, a simplified description of combustion and nitrogen oxides chemistry was implemented in a 1.5D model framework with the aim to compare the results with ones earlier obtained with a detailed reaction scheme. The simplified chemistry was written using 12 chemical components. Heterogeneous chemistry is given by the same models as in the earlier work but the homogeneous and catalytic reactions have been altered. The models have been taken from the literature. The paper describes the numerical model with emphasis on the chemistry submodels. A simulation of combustion of bituminous coal in the Chalmers 12 MW boiler is conducted and the results are compared with the results obtained earlier with the detailed chemistry description. The results are also compared with measured O2, CO, NO and N2O profiles. The simplified reaction scheme produces equally good results as earlier obtained with the more elaborate chemistry description.

  12. COMBUSTION RESEARCH Chapter from the Energy and Environment Division Annual Report 1980

    SciTech Connect

    Authors, Various

    1981-05-01

    Combustion research at the Lawrence Berkeley Laboratory focuses on the study of the chemical and physical processes which are important in combustion. Two areas of application dominate; the control of combustion processes to allow the utilization of new fuels while limiting pollutant formation and the reduction of fire hazards accompanying energy generation and utilization technologies. Principal program areas are the interaction of fluid-mechanical turbulence and combustion, the development and application of new physical and chemical diagnostic techniques for combustion research, pollutant formation and destruction processes, theoretical and computational modeling of combustion processes, combustion processes in engines, fire science, and fire safety. Work is reported in these areas: ENGINE COMBUSTION AND IGNITION STUDIES; COMBUSTION CHEMISTRY AND POLLUTANT FORMATION; COMBUSTION FLUID MECHANICS; and FIRE RESEARCH.

  13. Oil shale combustion/retorting

    SciTech Connect

    Not Available

    1983-05-01

    The Morgantown Energy Technology Center (METC) conducted a number of feasibility studies on the combustion and retorting of five oil shales: Celina (Tennessee), Colorado, Israeli, Moroccan, and Sunbury (Kentucky). These studies generated technical data primarily on (1) the effects of retorting conditions, (2) the combustion characteristics applicable to developing an optimum process design technology, and (3) establishing a data base applicable to oil shales worldwide. During the research program, METC applied the versatile fluidized-bed process to combustion and retorting of various low-grade oil shales. Based on METC's research findings and other published information, fluidized-bed processes were found to offer highly attractive methods to maximize the heat recovery and yield of quality oil from oil shale. The principal reasons are the fluidized-bed's capacity for (1) high in-bed heat transfer rates, (2) large solid throughput, and (3) selectivity in aromatic-hydrocarbon formation. The METC research program showed that shale-oil yields were affected by the process parameters of retorting temperature, residence time, shale particle size, fluidization gas velocity, and gas composition. (Preferred values of yields, of course, may differ among major oil shales.) 12 references, 15 figures, 8 tables.

  14. Colour Chemistry

    ERIC Educational Resources Information Center

    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)

  15. Chemistry Notes.

    ERIC Educational Resources Information Center

    School Science Review, 1983

    1983-01-01

    Presents background information, laboratory procedures, classroom materials/activities, and chemistry experiments. Topics include sublimation, electronegativity, electrolysis, experimental aspects of strontianite, halide test, evaluation of present and future computer programs in chemistry, formula building, care of glass/saturated calomel

  16. Chemistry Notes

    ERIC Educational Resources Information Center

    School Science Review, 1972

    1972-01-01

    Thirteen ideas are presented that may be of use to chemistry teachers. Topics covered include vitamin C, industrial chemistry, electrical conductivity, electrolysis, alkali metals, vibration modes infra-red, dynamic equilibrium, and some new demonstrations in gaseous combinations. (PS)

  17. Chemistry Notes.

    ERIC Educational Resources Information Center

    School Science Review, 1983

    1983-01-01

    Presents background information, laboratory procedures, classroom materials/activities, and chemistry experiments. Topics include sublimation, electronegativity, electrolysis, experimental aspects of strontianite, halide test, evaluation of present and future computer programs in chemistry, formula building, care of glass/saturated calomel…

  18. Chemistry Notes

    ERIC Educational Resources Information Center

    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)

  19. ENVIRONMENTAL CHEMISTRY

    EPA Science Inventory

    Environmental chemistry is applied to estimating the exposure of ecosystems and humans to various chemical environmental stressors. Among the stressors of concern are mercury, pesticides, and arsenic. Advanced analytical chemistry techniques are used to measure these stressors ...

  20. Spectroscopy, Kinetics, and Dynamics of Combustion Radicals

    SciTech Connect

    Nesbitt, David J.

    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.

  1. Integrated self-cleaning window assembly for optical transmission in combustion environments

    DOEpatents

    Kass, Michael D [Oak Ridge, TN

    2007-07-24

    An integrated window design for optical transmission in combustion environments is described. The invention consists of an integrated optical window design that prevents and removes the accumulation of carbon-based particulate matter and gaseous hydrocarbons through a combination of heat and catalysis. These windows will enable established optical technologies to be applied to combustion environments and their exhaust systems.

  2. Rotary internal combustion engine

    SciTech Connect

    Le, L.K.

    1990-11-20

    This patent describes an internal combustion engine comprising; a rotary compressor mechanism; a rotary expander mechanism; and combustion chamber means disposed between the compressor mechanism and the expander mechanism, whereby compressed air is delivered to the combustion chamber through the compressor discharge port, and pressurized gas is delivered from the combustion chamber into the expander mechanism through the pressurized gas intake port.

  3. Method and apparatus for secondary and tertiary recovery of hydrocarbons

    SciTech Connect

    Rivas, N.; Beichel, R.

    1987-07-07

    This patent describes an apparatus for secondary and tertiary recovery of hydrocarbons from oil fields comprising: a. a bipropellant generator capable of producing exhaust gases at supercritical pressures and temperatures; b. transport means for carrying the exhaust gases into a well bore, at least a portion of the well bore extending into a hydrocarbon bearing formation from which hydrocarbons are to be recovered; c. means for introducing water into the transport means; and d. a water cooling jacket extending into at least the upper portion of the well bore, the center of the cooling jacket receiving the exhaust gases from the transport means, means being provided for the introduction of chemical additives through a portion of the cooling jacket. A process is described for secondary and tertiary recovery of hydrocarbons from geological formations comprising: a. providing a well bore extending at least into the strata of the geologic formation containing the hydrocarbons to be recovered; b. providing at least the upper portion of the well bore with a cooling jacket, the cooling jacket being provided with a central, open portion; c. generating gases at supercritical temperatures and pressures; d. introducing water into the supercritical gases to form steam; e. forcing the mixture of supercritical combustion gases and steam through the central open portion of the cooling jacket and the well bore into the hydrocarbon strata; and f. adding chemical additives to the mixture of combustion gases and steam below the cooling jacket.

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

    EPA Science Inventory

    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...

  5. CLUSTER CHEMISTRY

    SciTech Connect

    Muetterties, Earl L.

    1980-05-01

    Metal cluster chemistry is one of the most rapidly developing areas of inorganic and organometallic chemistry. Prior to 1960 only a few metal clusters were well characterized. However, shortly after the early development of boron cluster chemistry, the field of metal cluster chemistry began to grow at a very rapid rate and a structural and a qualitative theoretical understanding of clusters came quickly. Analyzed here is the chemistry and the general significance of clusters with particular emphasis on the cluster research within my group. The importance of coordinately unsaturated, very reactive metal clusters is the major subject of discussion.

  6. Coal combustion science

    SciTech Connect

    Hardesty, D.R.; Baxter, L.L.; Fletcher, T.H.; Mitchell, R.E.

    1990-11-01

    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 (PETC) Direct Utilization Advanced Research and Technology Development Program, and the International Energy Agency (IEA) Coal Combustion Science Project. Specific tasks include: coal devolatilization, coal char combustion, and fate of mineral matter during coal combustion. 91 refs., 40 figs., 9 tabs.

  7. Combustion Fundamentals Research

    NASA Technical Reports Server (NTRS)

    1983-01-01

    Increased emphasis is placed on fundamental and generic research at Lewis Research Center with less systems development efforts. This is especially true in combustion research, where the study of combustion fundamentals has grown significantly in order to better address the perceived long term technical needs of the aerospace industry. The main thrusts for this combustion fundamentals program area are as follows: analytical models of combustion processes, model verification experiments, fundamental combustion experiments, and advanced numeric techniques.

  8. Development of efficient and accurate skeletal mechanisms for hydrocarbon fuels and kerosene surrogate

    NASA Astrophysics Data System (ADS)

    Zhong, Fengquan; Ma, Sugang; Zhang, Xinyu; Sung, Chih-Jen; Niemeyer, Kyle E.

    2015-10-01

    In this paper, the methodology of the directed relation graph with error propagation and sensitivity analysis (DRGEPSA), proposed by Niemeyer et al. (Combust Flame 157:1760-1770, 2010), and its differences to the original directed relation graph method are described. Using DRGEPSA, the detailed mechanism of ethylene containing 71 species and 395 reaction steps is reduced to several skeletal mechanisms with different error thresholds. The 25-species and 131-step mechanism and the 24-species and 115-step mechanism are found to be accurate for the predictions of ignition delay time and laminar flame speed. Although further reduction leads to a smaller skeletal mechanism with 19 species and 68 steps, it is no longer able to represent the correct reaction processes. With the DRGEPSA method, a detailed mechanism for n-dodecane considering low-temperature chemistry and containing 2115 species and 8157 steps is reduced to a much smaller mechanism with 249 species and 910 steps while retaining good accuracy. If considering only high-temperature (higher than 1000 K) applications, the detailed mechanism can be simplified to even smaller mechanisms with 65 species and 340 steps or 48 species and 220 steps. Furthermore, a detailed mechanism for a kerosene surrogate having 207 species and 1592 steps is reduced with various error thresholds and the results show that the 72-species and 429-step mechanism and the 66-species and 392-step mechanism are capable of predicting correct combustion properties compared to those of the detailed mechanism. It is well recognized that kinetic mechanisms can be effectively used in computations only after they are reduced to an acceptable size level for computation capacity and at the same time retaining accuracy. Thus, the skeletal mechanisms generated from the present work are expected to be useful for the application of kinetic mechanisms of hydrocarbons to numerical simulations of turbulent or supersonic combustion.

  9. Apparatus for photocatalytic destruction of internal combustion engine emissions during cold start

    DOEpatents

    Janata, J.; McVay, G.L.; Peden, C.H.; Exarhos, G.J.

    1998-07-14

    A method and apparatus are disclosed for the destruction of emissions from an internal combustion engine wherein a substrate coated with TiO{sub 2} is exposed to a light source in the exhaust system of an internal combustion engine thereby catalyzing oxidation/reduction reactions between gaseous hydrocarbons, carbon monoxide, nitrogen oxides and oxygen in the exhaust of the internal combustion engine. 4 figs.

  10. The Fluids and Combustion Facility Combustion Integrated Rack and The Multi-User Droplet Combustion Apparatus: Microgravity Combustion Science Using A Modular Multi-User Hardware

    NASA Astrophysics Data System (ADS)

    O'Malley, T. F.; Myhre, C. A.

    2002-01-01

    The Fluids and Combustion Facility (FCF) is a multi-rack payload planned for the International Space Station that will enable the study of fluid physics and combustion science in a microgravity environment. The Combustion Integrated Rack (CIR) is one of two International Standard Payload Racks of the FCF and is being designed primarily to support combustion science experiments. It is currently in the Flight Unit Build phase. The Multi-user Droplet Combustion Apparatus (MDCA) is a multi-user facility designed to accommodate four different droplet combustion science experiments and is the first payload for CIR. MDCA is currently in the Engineering Model build phase. Launch of the CIR and MDCA is planned for 2004. The CIR will function independently until the later launch of the Fluids Integrated Rack component of the FCF. This paper provides an overview of the capabilities and the development status of the CIR and MDCA. The CIR will contain the hardware and software required to support combustion experiments in space. It will contain an optics bench, combustion chamber, fuel oxidizer and management assembly, exhaust vent system, diagnostic cameras, power, environment control system, command and data management system, and a passive rack isolation system. Additional hardware will be installed in the chamber and on the optics bench that is customized for each science investigation. The chamber insert may provide the sample holder, small ignition source, and small diagnostics such as thermocouples and radiometers. The combustion experiments that may be conducted in the FCF include, but are not limited to, the study of 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 materials synthesis. It is expected that the facility will provide most of the hardware, with a small amount of unique hardware developed for each investigation. When possible, similar investigations will be flown at the same time to increase the use of common hardware and diagnostics. To further reduce the amount of new hardware that needs to be supplied for each investigation, multi-user chamber inserts, such as MDCA, are being designed. The inserts will contain, to the greatest extent possible, the hardware needed for a class of investigations. Two inserts will support the combustion of solid fuel samples in different sample configurations. Low speed flows over their surface will be obtained by the use of a small flow tunnel. The MDCA insert will support the combustion of droplets. Freely deployed or tethered single droplets, moving droplets, and droplet arrays will be investigated. A third insert will support laminar and turbulent gaseous combustion experiments. Each insert will be customized by the addition or removal of small amounts of hardware, such as sample holders or burners, for each experiment. The MDCA contains the hardware and software required to conduct unique droplet combustion experiments in space. It consists of a Chamber Insert Assembly, an Avionics Package, and a suite of diagnostics. It's modular approach permits on-orbit changes for accommodating different fuels, fuel flow rates, soot sampling mechanisms, and varying droplet support and translation mechanisms to accommodate multiple investigations. Unique diagnostic measurement capabilities for each investigation are also provided. Additional hardware provided by the CIR facility includes the structural support, a combustion chamber, utilities for the avionics and diagnostic packages, and the fuel mixing capability for PI specific combustion chamber environments. Common diagnostics provided by the CIR will also be utilized by the MDCA. Single combustible fuel droplets of varying sizes, freely deployed or supported by a tether are planned for study using the MDCA. Such research supports how liquid-fuel-droplets ignite, spread, and extinguish under quiescent microgravity conditions. This understanding will help us develop more

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

    ERIC Educational Resources Information Center

    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.

  12. Trace Chemistry

    NASA Technical Reports Server (NTRS)

    Radhakrishnan, Krishnan; Whitefield, Philip

    1999-01-01

    The goals of the trace chemistry group were to identify the processes relevant to aerosol and aerosol precursor formation occurring within aircraft gas turbine engines; that is, within the combustor, turbine, and nozzle. The topics of discussion focused on whether the chemistry of aerosol formation is homogeneous or heterogeneous; what species are important for aerosol and aerosol precursor formation; what modeling/theoretical activities to pursue; what experiments to carry out that both support modeling activities and elucidate fundamental processes; and the role of particulates in aerosol and aerosol precursor formation. The consensus of the group was that attention should be focused on SO2, SO3, and aerosols. Of immediate concern is the measurement of the concentration of the species SO3, SO2, H2SO4 OH, HO2, H2O2, O, NO, NO2, HONO, HNO3, CO, and CO2 and particulates in various engines, both those currently in use and those in development. The recommendation was that concentration measurements should be made at both the combustor exit and the engine exit. At each location the above species were classified into one of four categories of decreasing importance, Priority I through IV, as follows: Combustor exit: Priority I species - SO3:SO2 ratio, SO3, SO2, and particulates; Priority II species: OH and O; Priority III species - NO and NO2; and Priority IV species - CO and CO2. For the Engine exit: Priority I species - SO3:SO2 ratio, SO3, SO2,H2SO4, and particulates; Priority II species: OH,HO2, H2O2, and O; Priority III species - NO, NO2, HONO, and HNO3; and Priority IV species - CO and CO2. Table I summarizes the anticipated concentration range of each of these species. For particulate matter, the quantities of interest are the number density, size distribution, and composition. In order to provide data for validating multidimensional reacting flow models, it would be desirable to make 2-D, time-resolved measurements of the concentrations of the above species and, in addition, of the pressure, temperature, and velocity. A near term goal of the experimental program should be to confirm the nonlinear effects of sulfur speciation, and if present, to provide an explanation for them. It is also desirable to examine if the particulate matter retains any sulfur. The recommendation is to examine the effects on SOx production of variations in fuel-bound sulfur and aromatic content (which may affect the amount of particulates formed). These experiments should help us to understand if there is a coupling between particulate formation and SO, concentration. Similarly, any coupling with NOx can be examined either by introducing NOx into the combustion air or by using fuel-bound nitrogen. Also of immediate urgency is the need to establish and validate a detailed mechanism for sulfur oxidation/aerosol formation, whose chemistry is concluded to be homogeneous, because there is not enough surface area for heterogeneous effects. It is envisaged that this work will involve both experimental and theoretical programs. The experimental work will require, in addition to the measurements described above, fundamental studies in devices such as flow reactors and shock tubes. Complementing this effort should be modeling and theoretical activities. One impediment to the successful modeling of sulfur oxidation is the lack of reliable data for thermodynamic and transport properties for several species, such as aqueous nitric acid, sulfur oxides, and sulfuric acid. Quantum mechanical calculations are recommended as a convenient means of deriving values for these properties. Such calculations would also help establish rate constants for several important reactions for which experimental measurements are inherently fraught with uncertainty. Efforts to implement sufficiently detailed chemistry into computational fluid dynamic codes should be continued. Zero- and one-dimensional flow models are also useful vehicles for elucidating the minimal set of species and reactions that must be included in two- and three-dimensional modeling studies.

  13. Performance of PAHs emission from bituminous coal combustion.

    PubMed

    Yan, Jian-Hua; You, Xiao-Fang; Li, Xiao-Dong; Ni, Ming-Jiang; Yin, Xue-Feng; Cen, Ke-Fa

    2004-12-01

    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. PMID:15547964

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

    SciTech Connect

    Gregory, D.; Jackson, R.A.; Bennett, P.J.

    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.

  15. HC quench layer formation in combustion processes. Technical progress report, May-November 1980

    SciTech Connect

    Lavoie, G A

    1980-12-01

    Objective is to understand wall quenching and other processes responsible for surface generated hydrocarbons in combustion under engine-like conditions. The study concerns the effects of turbulence on the evolution of hydrocarbons. The work is divided into three tasks: (1) combustion bomb experiments to measure the effect of turbulence on the chemical species near the cold surface; (2) combustion bomb experiments, using a similar turbulence generating device, to fully characterize the flow and turbulence in the vicinity of the quenching surface; and (3) an analytical study to characterize fluid mechanical scales of interest in the boundary layer and to find an analytical solution to describe the evolution of the layer.

  16. Combustion 2000

    SciTech Connect

    2000-06-30

    This report presents work carried out under contract DE-AC22-95PC95144 ''Combustion 2000 - Phase II.'' The goals of the program are to develop a coal-fired high performance power generation system (HIPPS) that is capable of: {lg_bullet} thermal efficiency (HHV) {ge} 47% {lg_bullet} NOx, SOx, and particulates {le} 10% NSPS (New Source Performance Standard) {lg_bullet} coal providing {ge} 65% of heat input {lg_bullet} all solid wastes benign {lg_bullet} cost of electricity {le} 90% of present plants Phase I, which began in 1992, focused on the analysis of various configurations of indirectly fired cycles and on technical assessments of alternative plant subsystems and components, including performance requirements, developmental status, design options, complexity and reliability, and capital and operating costs. Phase I also included preliminary R&D and the preparation of designs for HIPPS commercial plants approximately 300 MWe in size. Phase II, had as its initial objective the development of a complete design base for the construction and operation of a HIPPS prototype plant to be constructed in Phase III. As part of a descoping initiative, the Phase III program has been eliminated and work related to the commercial plant design has been ended. The rescoped program retained a program of engineering research and development focusing on high temperature heat exchangers, e.g. HITAF development (Task 2); a rescoped Task 6 that is pertinent to Vision 21 objectives and focuses on advanced cycle analysis and optimization, integration of gas turbines into complex cycles, and repowering designs; and preparation of the Phase II Technical Report (Task 8). This rescoped program deleted all subsystem testing (Tasks 3, 4, and 5) and the development of a site specific engineering design and test plan for the HIPPS prototype plant (Task 7). Work reported herein is from: {lg_bullet} Task 2.2.4 Pilot Scale Testing {lg_bullet} Task 2.2.5.2 Laboratory and Bench Scale Activities

  17. Combustion 2000

    SciTech Connect

    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

    This report is a presentation of work carried out on Phase II of the HIPPS program under DOE contract DE-AC22-95PC95144 from June 1995 to March 2001. The objective of this report is to emphasize the results and achievements of the program and not to archive every detail of the past six years of effort. These details are already available in the twenty-two quarterly reports previously submitted to DOE and in the final report from Phase I. The report is divided into three major foci, indicative of the three operational groupings of the program as it evolved, was restructured, or overtaken by events. In each of these areas, the results exceeded DOE goals and expectations. HIPPS Systems and Cycles (including thermodynamic cycles, power cycle alternatives, baseline plant costs and new opportunities) HITAF Components and Designs (including design of heat exchangers, materials, ash management and combustor design) Testing Program for Radiative and Convective Air Heaters (including the design and construction of the test furnace and the results of the tests) There are several topics that were part of the original program but whose importance was diminished when the contract was significantly modified. The elimination of the subsystem testing and the Phase III demonstration lessened the relevance of subtasks related to these efforts. For example, the cross flow mixing study, the CFD modeling of the convective air heater and the power island analysis are important to a commercial plant design but not to the R&D product contained in this report. These topics are of course, discussed in the quarterly reports under this contract. The DOE goal for the High Performance Power Plant System ( HIPPS ) is high thermodynamic efficiency and significantly reduced emissions. Specifically, the goal is a 300 MWe plant with > 47% (HHV) overall efficiency and {le} 0.1 NSPS emissions. This plant must fire at least 65% coal with the balance being made up by a premium fuel such as natural gas. 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 issues of fabrication and reliability, availability and maintenance. The program that has sought to develop and implement these HIPPS designs is outlined below.

  18. Modeling complex chemical effects in turbulent nonpremixed combustion

    NASA Technical Reports Server (NTRS)

    Smith, Nigel S. A.

    1995-01-01

    Virtually all of the energy derived from the consumption of combustibles occurs in systems which utilize turbulent fluid motion. Since combustion is largely related to the mixing of fluids and mixing processes are orders of magnitude more rapid when enhanced by turbulent motion, efficiency criteria dictate that chemically powered devices necessarily involve fluid turbulence. Where combustion occurs concurrently with mixing at an interface between two reactive fluid bodies, this mode of combustion is called nonpremixed combustion. This is distinct from premixed combustion where flame-fronts propagate into a homogeneous mixture of reactants. These two modes are limiting cases in the range of temporal lag between mixing of reactants and the onset of reaction. Nonpremixed combustion occurs where this lag tends to zero, while premixed combustion occurs where this lag tends to infinity. Many combustion processes are hybrids of these two extremes with finite non-zero lag times. Turbulent nonpremixed combustion is important from a practical standpoint because it occurs in gas fired boilers, furnaces, waste incinerators, diesel engines, gas turbine combustors, and afterburners etc. To a large extent, past development of these practical systems involved an empirical methodology. Presently, efficiency standards and emission regulations are being further tightened (Correa 1993), and empiricism has had to give way to more fundamental research in order to understand and effectively model practical combustion processes (Pope 1991). A key element in effective modeling of turbulent combustion is making use of a sufficiently detailed chemical kinetic mechanism. The prediction of pollutant emission such as oxides of nitrogen (NO(x)) and sulphur (SO(x)) unburned hydrocarbons, and particulates demands the use of detailed chemical mechanisms. It is essential that practical models for turbulent nonpremixed combustion are capable of handling large numbers of 'stiff' chemical species equations.

  19. HOST combustion R and T overview

    NASA Technical Reports Server (NTRS)

    Gaugler, Raymond E.

    1986-01-01

    The overall objective of the Turbine Engine Hot Section Technology Combustion Project was to develop and verify improved and more accurate numerical analysis methods for increasing the ability to design with confidence combustion systems for advanced aircraft gas turbine engines. The objective was approached from two directions: computational and experimental. On the computational side, the approach was to first assess and evaluate existing combustor aerothermal analysis models. On the experimental side, three types of experiments are identified; first, fundamental experiments directed toward improved understanding of the flow physics and chemistry; second, experiments run to provide data for the empirical modeling of complex phenomena; and third, benchmark experiments for computer code validation.

  20. A laboratory scale supersonic combustive flow system

    SciTech Connect

    Sams, E.C.; Zerkle, D.K.; Fry, H.A.; Wantuck, P.J.

    1995-02-01

    A laboratory scale supersonic flow system [Combustive Flow System (CFS)] which utilizes the gaseous products of methane-air and/or liquid fuel-air combustion has been assembled to provide a propulsion type exhaust flow field for various applications. Such applications include providing a testbed for the study of planar two-dimensional nozzle flow fields with chemistry, three-dimensional flow field mixing near the exit of rectangular nozzles, benchmarking the predictive capability of various computational fluid dynamic codes, and the development and testing of advanced diagnostic techniques. This paper will provide a detailed description of the flow system and data related to its operation.

  1. HOMOGENEOUS CATALYSTS FOR THE PARTIAL-OXYGENATION OF SATURATED HYDROCARBONS WITH HYDROGEN PEROXIDE

    EPA Science Inventory

    The development of catalysts with the capacity to activate green oxidants, such as hydrogen peroxide and molecular oxygen, can offer an environmentally sound pathway for hydrocarbon oxidation. Furthermore, by including the concepts of green chemistry and pollution prevention one ...

  2. Monitoring of vapor phase polycyclic aromatic hydrocarbons

    DOEpatents

    Vo-Dinh, Tuan; Hajaligol, Mohammad R.

    2004-06-01

    An apparatus for monitoring vapor phase polycyclic aromatic hydrocarbons in a high-temperature environment has an excitation source producing electromagnetic radiation, an optical path having an optical probe optically communicating the electromagnetic radiation received at a proximal end to a distal end, a spectrometer or polychromator, a detector, and a positioner coupled to the first optical path. The positioner can slidably move the distal end of the optical probe to maintain the distal end position with respect to an area of a material undergoing combustion. The emitted wavelength can be directed to a detector in a single optical probe 180.degree. backscattered configuration, in a dual optical probe 180.degree. backscattered configuration or in a dual optical probe 90.degree. side scattered configuration. The apparatus can be used to monitor an emitted wavelength of energy from a polycyclic aromatic hydrocarbon as it fluoresces in a high temperature environment.

  3. Chemical kinetic modelling of hydrocarbon ignition

    SciTech Connect

    Westbrook, C.K.; Pitz, W.J.; Curran, H.J.; Gaffuri, P.; Marinov, N.M.

    1995-08-25

    Chemical kinetic modeling of hydrocarbon ignition is discussed with reference to a range of experimental configurations, including shock tubes, detonations, pulse combustors, static reactors, stirred reactors and internal combustion engines. Important conditions of temperature, pressure or other factors are examined to determine the main chemical reaction sequences responsible for chain branching and ignition, and kinetic factors which can alter the rate of ignition are identified. Hydrocarbon ignition usually involves complex interactions between physical and chemical factors, and it therefore is a suitable and often productive subject for computer simulations. In most of the studies to be discussed below, the focus of the attention is placed on the chemical features of the system. The other physical parts of each application are generally included in the form of initial or boundary conditions to the chemical kinetic parts of the problem, as appropriate for each type of application being addressed.

  4. Near-threshold absolute photoionization cross-sections of some reaction intermediates in combustion

    NASA Astrophysics Data System (ADS)

    Wang, Juan; Yang, Bin; Cool, Terrill A.; Hansen, Nils; Kasper, Tina

    2008-02-01

    The use of photoionization mass spectrometry for the development of quantitative kinetic models for the complex combustion chemistry of both conventional hydrocarbon fuels and oxygenated biofuels requires near-threshold measurements of absolute photoionization cross-sections for numerous reaction intermediates. Near-threshold absolute cross-sections for molecular and dissociative photoionization for 20 stable reaction intermediates (methane, ethane, propane, n-butane, cyclopropane, methylcyclopentane, 1-butene, cis-2-butene, isobutene, 1-pentene, cyclohexene, 3,3-dimethyl-1-butene, 1,3-hexadiene, 1,3-cyclohexadiene, methyl acetate, ethyl acetate, tetrahydrofuran, propanal, 1-butyne, 2-butyne) are presented. Previously measured total photoionization cross-sections for 9 of these molecules are in good agreement with the present results. The measurements are performed with photoionization mass spectrometry (PIMS) using a monochromated VUV synchrotron light source with an energy resolution of 40 meV (fwhm) comparable to that used for flame-sampling molecular beam PIMS studies of flame chemistry and reaction kinetics.

  5. Symposium (International) on Combustion, 22nd, University of Washington, Seattle, Aug. 14-19, 1988, Proceedings

    SciTech Connect

    Not Available

    1989-01-01

    Papers on combustion are presented, including papers on coal combustion, combustion-generated particulates, engine combustion, turbulent combustion, reaction kinetics, combustion-generated NO(x) and SO(x), fires, fire characterization, laminar flames, ignition and extinction, detonations and explosions, dust combustion, propellants, combustion diagnostics, and multiphase combustion. Specific topics include soot formation in diffusion flames of fuel/oxygen mixtures, sooting limits of aerodynamically-strained diffusion flames, premixed combustion in a vortex, the structure of a laminar nonpremixed flame in an unsteady vortical flow, and a model gas turbine combustor with wall jets and optical access for turbulent mixing, fuel effects, and spray studies. Additional topics include the role of the recirculation vortex in improving fuel-air mixing within swirling flames, fractal geometry applications in turbulent combustion data analysis, a simulation with a cellular automaton for turbulent combustion modeling, turbulent combustion in nonpremixed flames, the structure of premixed turbulent flames, lifted turbulent jet flames, chemical kinetic modeling and sensitivity analyses for boron-assisted hydrocarbon combustion, the driving force of PAH production, and the near-limit flame spread over a thin solid fuel in microgravity.

  6. Probing flame chemistry with MBMS, theory, and modeling. Annual progress report, July 15, 1991--July 14, 1992

    SciTech Connect

    Westmoreland, P.R.

    1992-03-01

    The program 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 to be studies are (1) the oxidation reactions of O and OH with C{sub 3}`s and (2) the growth reactions of C{sub 3}H{sub 5} and C{sub 3}H{sub 3} with themselves and with unsaturated hydrocarbons. Our approach combines molecular-beam mass spectroscopy (MBMS) experiments which give concentrations of stable species and free radicals in low-pressure flat flames; theoretical predictions of rate constants by thermochemical kinetics, Biomedical Quantum-RRK, RRKM, and master- equation theory; and whole-flame modeling using full mechanisms of elementary reactions. Detailed MBMS flame data are the principal results of the first nine months of the grant. Spatial profiles of temperature, area expansion ratio, and mole fraction have been mapped in two low-pressure flat flames, one fuel-lean ({phi} = 0.229) and the other fuel-rich ({phi} = 1.64) in propene/oxygen/argon. Species identities and trends suggest certain chemical pathways, but reaction theory and flame modeling are beginning to provide specific, quantitative insights into oxidation and growth chemistry. 5 refs., 23 figs., 1 tab.

  7. Risk assessment of nitrated polycyclic aromatic hydrocarbons

    SciTech Connect

    Moeller, L. ); Lax, I. ); Torndal, U.B.; Eriksson, L.C. )

    1993-06-01

    Nitrated polycyclic aromatic hydrocarbons (nitro-PAHs) constitute a group of substances formed during incomplete combustion. Sources include diesel vehicles, heating, smoking, certain types of food-processing, and incomplete combustion in general. 2-Nitrofluorene (NF) represents a model substance for the nitro-PAHs. An attempt has been made to estimate the lifetime human cancer risk due to background exposure to nitro-PAHs by two different models. The first model is based on genotoxic lesions produced by gamma-irradiation and the second model is based on an earlier published mega study (24,000 animals) on the carcinogenicity of the major metabolite of NF. Both models agreed well -- representing a yearly human cancer risk in the range of 0.15--49 [times] 10[sup [minus]6] for an urban citizen. The weaknesses and strengths of the models are discussed. 55 refs., 3 figs.

  8. Aliphatic hydrocarbon and polycyclic aromatic hydrocarbon geochemistry of twelve major rivers in the Northwest Territories

    SciTech Connect

    Backus, S.; Swyripa, M.; Peddle, J.; Jeffries, D.S.

    1995-12-31

    Suspended sediment and water samples collected from twelve major rivers in the Northwest Territories were analyzed for aliphatic hydrocarbons and polycyclic aromatic hydrocarbons (PAHs) to assess the sources and transport of hydrocarbons entering the Arctic Ocean. Three stations on the Mackenzie River and one station near the mouth of eleven other northern rivers were selected for sampling. Samples were collected on the Mackenzie River on four occasions to characterize spring, summer and fall flow conditions and once on the remaining eleven rivers during high flow conditions. The Mackenzie River is distinctively different then the other eleven rivers. Naturally occurring hydrocarbons predominate in the river. These hydrocarbons include biogenic alkanes, diagenic PAHs, petrogenic alkanes, and PAHs from oil seeps and/or bitumens. Anthropogenic inputs of PAHs are low as indicated by low concentrations of combustion PAHs. Alkyl PAH distributions indicate that a significant component of the lower molecular weight PAH fraction is petrogenic. The majority of the high molecular weight PAHs, together with the petrogenic PAHs have a principal source in the Mackenzie River.

  9. Combustion 2000

    SciTech Connect

    1999-12-31

    This report presents work carried out under contract DE-AC22-95PC95144 ''Combustion 2000 - Phase II.'' The goals of the program are to develop a coal-fired high performance power generation system (HIPPS) that is capable of: {lg_bullet} thermal efficiency (HHV) {ge} 47% {lg_bullet} NOx, SOx, and particulates {le} 10% NSPS (New Source Performance Standard) {lg_bullet} coal providing {ge} 65% of heat input {lg_bullet} all solid wastes benign {lg_bullet} cost of electricity {le} 90% of present plants Phase I, which began in 1992, focused on the analysis of various configurations of indirectly fired cycles and on technical assessments of alternative plant subsystems and components, including performance requirements, developmental status, design options, complexity and reliability, and capital and operating costs. Phase I also included preliminary R&D and the preparation of designs for HIPPS commercial plants approximately 300 MWe in size. Phase II, had as its initial objective the development of a complete design base for the construction and operation of a HIPPS prototype plant to be constructed in Phase III. As part of a descoping initiative, the Phase III program has been eliminated and work related to the commercial plant design has been ended. The rescoped program retained a program of engineering research and development focusing on high temperature heat exchangers, e.g. HITAF development (Task 2); a rescoped Task 6 that is pertinent to Vision 21 objectives and focuses on advanced cycle analysis and optimization, integration of gas turbines into complex cycles, and repowering designs; and preparation of the Phase II Technical Report (Task 8). This rescoped program deleted all subsystem testing (Tasks 3, 4, and 5) and the development of a site-specific engineering design and test plan for the HIPPS prototype plant (Task 7). Work reported herein is from: {lg_bullet} Task 2.2.4 Pilot Scale Testing {lg_bullet} Task 2.2.5.2 Laboratory and Bench Scale Activities

  10. Dioxins and polyvinylchloride in combustion and fires.

    PubMed

    Zhang, Mengmei; Buekens, Alfons; Jiang, Xuguang; Li, Xiaodong

    2015-07-01

    This review on polyvinylchloride (PVC) and dioxins collects, collates, and compares data from selected sources on the formation of polychlorinated dibenzofurans (PCDFs) and dibenzo-p-dioxins (PCDDs), or in brief dioxins, in combustion and fires. In professional spheres, the incineration of PVC as part of municipal solid waste is seldom seen as a problem, since deep flue gas cleaning is required anyhow. Conversely, with its high content of chlorine, PVC is frequently branded as a major chlorine donor and spitefully leads to substantial formation of dioxins during poorly controlled or uncontrolled combustion and open fires. Numerous still ill-documented and diverse factors of influence may affect the formation of dioxins during combustion: on the one hand PVC-compounds represent an array of materials with widely different formulations; on the other hand these may all be exposed to fires of different nature and consequences. Hence, attention should be paid to PVC with respect to the ignition and development of fires, as well as attenuating the emission of objectionable compounds, such as carbon monoxide, hydrogen chloride, polycyclic aromatic hydrocarbons, and dioxins. This review summarises available dioxin emissions data, gathers experimental and simulation studies of fires and combustion tests involving PVC, and identifies and analyses the effects of several local factors of influence, affecting the formation of dioxins during PVC combustion. PMID:26185164

  11. Spray combustion of synthetic fuels. Phase II. Spray-combustion phenomena. Final report, 9 September 1981-31 December 1982

    SciTech Connect

    Not Available

    1983-05-01

    The objectives of this project were to augment existing information on physical and chemical processes relevant to synfuel combustion, to develop fundamental information and data bases applicable to synfuel utilization in industrial combustors, and to develop associated combustion models and synfuel utilization criteria with special emphasis on spray combustion. An integrated analytical and experimental program has been constructed to provide an understanding of the phenomena involved in the combustion of synthetic fuels: An extensive literature search was conducted to collect and collate available data on the thermodynamics and kinetics of pyrolysis and oxidation of synthetic fuels, related compounds, and baseline, petroleum-derived fuels. Bench-scale spray dynamics experiments were conducted to obtain data on spray combustion processes. Modular models of the combined aerodynamic and chemical processes of spray combustion were developed to represent basic spray combustor configurations. Chemical kinetics formulations were developed to model pyrolysis, soot formation and oxidation, aliphatic and aromatic hydrocarbon oxidation, and fuel-bound nitrogen conversion. These chemical kinetics formulations were based on the quasiglobal approach and were to be suitable for use in the modular spray combustion model. Models of the overall spray combustion process were used in the design of the experimental facility. The analytical models were refined and tested using the results of experiments conducted in the bench-scale spray dynamics test facility and data from other sources. The results of the modeling and experimental program were used to develop fundamental information relevant to the effective utilization of synfuels in industrial combustion systems.

  12. Chemistry Notes

    ERIC Educational Resources Information Center

    School Science Review, 1972

    1972-01-01

    Twelve new chemistry expermiments are described. Broad areas covered include atomic structure, solubility, gaseous diffusion, endothermic reactions, alcohols, equilibrium, atomic volumes, and some improvised apparatus. (PS)

  13. Technetium chemistry

    SciTech Connect

    Burns, C.; Bryan, J.; Cotton, F.; Ott, K.; Kubas, G.; Haefner, S.; Barrera, J.; Hall, K.; Burrell, A.

    1996-04-01

    Technetium chemistry is a young and developing field. Despite the limited knowledge of its chemistry, technetium is the workhorse for nuclear medicine. Technetium is also a significant environmental concern because it is formed as a byproduct of nuclear weapons production and fission-power generators. Development of new technetium radio-pharmaceuticals and effective environmental control depends strongly upon knowledge of basic technetium chemistry. The authors performed research into the basic coordination and organometallic chemistry of technetium and used this knowledge to address nuclear medicine and environmental applications. This is the final report of a three-year Laboratory-Directed Research and Development (LDRD) project at the Los Alamos National Laboratory (LANL).

  14. The combustion program at CTR

    NASA Technical Reports Server (NTRS)

    Poinsot, Thierry J.

    1993-01-01

    Understanding and modeling of turbulent combustion are key problems in the computation of numerous practical systems. Because of the lack of analytical theories in this field and of the difficulty of performing precise experiments, direct numerical simulation (DNS) appears to be one of the most attractive tools to use in addressing this problem. The general objective of DNS of reacting flows is to improve our knowledge of turbulent combustion but also to use this information for turbulent combustion models. For the foreseeable future, numerical simulation of the full three-dimensional governing partial differential equations with variable density and transport properties as well as complex chemistry will remain intractable; thus, various levels of simplification will remain necessary. On one hand, the requirement to simplify is not necessarily a handicap: numerical simulations allow the researcher a degree of control in isolating specific physical phenomena that is inaccessible in experiments. CTR has pursued an intensive research program in the field of DNS for turbulent reacting flows since 1987. DNS of reacting flows is quite different from DNS of non-reacting flows: without reaction, the equations to solve are clearly the five conservation equations of the Navier Stokes system for compressible situations (four for incompressible cases), and the limitation of the approach is the Reynolds number (or in other words the number of points in the computation). For reacting flows, the choice of the equations, the species (each species will require one additional conservation equation), the chemical scheme, and the configuration itself is more complex.

  15. Correlation of physical properties with molecular structure for some dicyclic hydrocarbons having high thermal-energy release per unit volume

    NASA Technical Reports Server (NTRS)

    Wise, P H; Serijan, K T; Goodman, I A

    1951-01-01

    As part of a program to study the correlation between molecular structure and physical properties of high-density hydrocarbons, the net heats of combustion, melting points, boiling points, densities, and kinematic viscosities of some hydrocarbons in the 2-n-alkylbiphenyl, 1,1-diphenylalkane, diphenylalkane, 1,1-dicyclohexylalkane, and dicyclohexylalkane series are presented.

  16. Subfilter Scale Modelling for Large Eddy Simulation of Lean Hydrogen-Enriched Turbulent Premixed Combustion

    NASA Astrophysics Data System (ADS)

    Hernandez Perez, Francisco Emanuel

    Hydrogen (H2) enrichment of hydrocarbon fuels in lean premixed systems is desirable since it can lead to a progressive reduction in greenhouse-gas emissions, while paving the way towards pure hydrogen combustion. In recent decades, large-eddy simulation (LES) has emerged as a promising tool to computationally describe and represent turbulent combustion processes. However, a considerable complication of LES for turbulent premixed combustion is that chemical reactions occur in a thin reacting layer at small scales which cannot be entirely resolved on computational grids and need to be modelled. In this thesis, subfilter-scale (SFS) modelling for LES of lean H 2-enriched methane-air turbulent premixed combustion was investigated. Two- and three-dimensional fully-compressible LES solvers for a thermally perfect reactive mixture of gases were developed and systematically validated. Two modelling strategies for the chemistry-turbulence interaction were pursued: the artificially thickened flame model with a power-law SFS wrinkling approach and the presumed conditional moment (PCM) coupled with the flame prolongation of intrinsic low-dimensional manifold (FPI) chemistry tabulation technique. Freely propagating and Bunsen-type flames corresponding to stoichiometric and lean premixed mixtures were considered. Validation of the LES solvers was carried out by comparing predicted solutions with experimental data and other published numerical results. Head-to-head comparisons of different SFS approaches, including a transported flame surface density (FSD) model, allowed to identify weaknesses and strengths of the various models. Based on the predictive capabilities of the models examined, the PCM-FPI model was selected for the study of hydrogen-enrichment of methane. A new progress of reaction variable was proposed to account for NO. The importance of transporting species with different diffusion coefficients was demonstrated, in particular for H2. The proposed approach was applied to a Bunsen-type configuration, reproducing key features observed in the experiments: the enriched flame was shorter, which is attributed to a faster consumption of the blended fuel; and the enriched flame displayed a broader two-dimensional curvature probability density function. Furthermore, reduced levels of carbon dioxide (CO2), increased levels of nitrogen monoxide (NO), and a slight increase in the carbon monoxide (CO) levels in areas of fully burned gas were predicted for the enriched flame.

  17. Recovering hydrocarbons from hydrocarbon-containing vapors

    DOEpatents

    Mirza, Zia I.; Knell, Everett W.; Winter, Bruce L.

    1980-09-30

    Values are recovered from a hydrocarbon-containing vapor by contacting the vapor with quench liquid consisting essentially of hydrocarbons to form a condensate and a vapor residue, the condensate and quench fluid forming a combined liquid stream. The combined liquid stream is mixed with a viscosity-lowering liquid to form a mixed liquid having a viscosity lower than the viscosity of the combined liquid stream to permit easy handling of the combined liquid stream. The quench liquid is a cooled portion of the mixed liquid. Viscosity-lowering liquid is separated from a portion of the mixed liquid and cycled to form additional mixed liquid.

  18. Oxygenated Derivatives of Hydrocarbons

    Technology Transfer Automated Retrieval System (TEKTRAN)

    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...

  19. Hydrocarbon Spectral Database

    National Institute of Standards and Technology Data Gateway

    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.

  20. Hydrocarbon emissions speciation in diesel and biodiesel exhausts

    NASA Astrophysics Data System (ADS)

    Payri, Francisco; Bermdez, Vicente R.; Tormos, Bernardo; Linares, Waldemar G.

    Diesel engine emissions are composed of a long list of organic compounds, ranging from C 2 to C 12+, and coming from the hydrocarbons partially oxidized in combustion or produced by pyrolisis. Many of these are considered as ozone precursors in the atmosphere, since they can interact with nitrogen oxides to produce ozone under atmospheric conditions in the presence of sunlight. In addition to problematic ozone production, Brookes, P., and Duncan, M. [1971. Carcinogenic hydrocarbons and human cells in culture. Nature.] and Heywood, J. [1988. Internal Combustion Engine Fundamentals.Mc Graw-Hill, ISBN 0-07-1000499-8.] determined that the polycyclic aromatic hydrocarbons present in exhaust gases are dangerous to human health, being highly carcinogenic. The aim of this study was to identify by means of gas chromatography the amount of each hydrocarbon species present in the exhaust gases of diesel engines operating with different biodiesel blends. The levels of reactive and non-reactive hydrocarbons present in diesel engine exhaust gases powered by different biodiesel fuel blends were also analyzed. Detailed speciation revealed a drastic change in the nature and quantity of semi-volatile compounds when biodiesel fuels are employed, the most affected being the aromatic compounds. Both aromatic and oxygenated aromatic compounds were found in biodiesel exhaust. Finally, the conservation of species for off-side analysis and the possible influence of engine operating conditions on the chemical characterization of the semi-volatile compound phase are discussed. The use of oxygenated fuel blends shows a reduction in the Engine-Out emissions of total hydrocarbons. But the potential of the hydrocarbon emissions is more dependent on the compositions of these hydrocarbons in the Engine-Out, to the quantity; a large percent of hydrocarbons existing in the exhaust, when biodiesel blends are used, are partially burned hydrocarbons, and are interesting as they have the maximum reactivity, but with the use of pure biodiesel and diesel, the most hydrocarbons are from unburned fuel and they have a less reactivity. The best composition in the fuel, for the control of the hydrocarbon emissions reactivity, needs to be a fuel with high-saturated fatty acid content.

  1. Atmospheric Chemistry of Acenaphthalene and Acenaphthylene

    NASA Astrophysics Data System (ADS)

    Zhou, S.; Wenger, J. C.

    2009-04-01

    Polycyclic aromatic hydrocarbons (PAHs) are released into the atmosphere as a by-product of combustion processes and have been detected in ambient air at urban locations around the world. In the atmosphere, PAHs containing two and three rings are found predominantly in the gas-phase, whilst those containing six or more rings principally adsorb to particles. PAHs with four or five rings are found in both phases. The gas-phase PAHs can be chemically transformed in the lower troposphere via reaction with hydroxyl (OH) and nitrate (NO3) radicals and ozone. These reactions lead to the formation of a range of oxidation products including phenols, nitro-PAHs and carbonyls, in addition to other pollutants such as ozone and secondary organic aerosol (SOA). Despite their importance, relatively little is known about the atmospheric chemistry of the PAHs, mainly because of the difficulty of working with these compounds and also the variety and complexity of the reaction products formed. Up to now only one kinetic study on the reaction of acenaphthalene and acenaphthylene with OH, NO3 and ozone has been reported in the peer-reviewed literature. In this study, we have determined rate coefficients for the gas-phase reactions of acenaphthalene and acenaphthylene with OH, NO3 and ozone using the relative rate method. The results are compared with previous measurements and used to provide estimates of the tropospheric lifetimes of these compounds. A recently developed denuder-filter sampling technique was used to investigate the gas and particle phase products arising from the photooxidation of the PAHs. Chemical analysis was performed using gas chromatography - mass spectrometry using O-(2,3,4,5,6- pentafluorobenzyl)-hydroxylamine (PFBHA) and pentafluorobenzyl bromide (PFBBr) as derivatizing agents for carbonyls and phenols respectively. The results provide new data on the gas-particle partitioning behavior of the oxidation products and useful information on the products likely to be involved in secondary organic aerosol formation from the PAHs.

  2. PDF Modeling of Turbulent Lean Premixed Combustion

    SciTech Connect

    Yilmaz, S.L.; Givi, P.; Strakey, P.A.

    2007-10-01

    The joint velocity-scalar-frequency probability density function (PDF) methodology is employed for prediction of a bluff-body stabilized lean premixed methane-air flame. A reduced mechanism with CO and NO chemistry is used to describe fuel oxidation. The predicted mean and rms values of the velocity, temperature and concentrations of major and minor species are compared with laboratory measurements. This technical effort was performed in support of the National Energy Technology Laboratorys on-going research in Assessment of Turbo-Chemistry Models for Gas Turbine Combustion Emissions under the RDS contract DE-AC26-04NT41817.

  3. Chemistry Notes.

    ERIC Educational Resources Information Center

    School Science Review, 1981

    1981-01-01

    Outlines laboratory procedures, demonstrations, teaching suggestions, and content information related to chemistry. Topics include polarizing power; calorimetry and momentum; microcomputers in school chemistry; a constant-volume dispenser for liquids, floating magnets, and crystal lattices; preparation of chromium; and solvent polarity and…

  4. Chemistry Notes.

    ERIC Educational Resources Information Center

    School Science Review, 1981

    1981-01-01

    Outlines laboratory procedures, demonstrations, teaching suggestions, and content information related to chemistry. Topics include polarizing power; calorimetry and momentum; microcomputers in school chemistry; a constant-volume dispenser for liquids, floating magnets, and crystal lattices; preparation of chromium; and solvent polarity and

  5. Combustion oscillation control

    SciTech Connect

    Richards, G.A.; Janus, M.C.

    1996-12-31

    Premixing of fuel and air can avoid high temperatures which produce thermal NOx, but oscillating combustion must be eliminated. Combustion oscillations can also occur in Integrated Gasification Combined Cycle turbines. As an alternative to design or operating modifications, METC is investigating active combustion control (ACC) to eliminate oscillations; ACC uses repeated adjustment of some combustion parameter to control the variation in heat release that drives oscillations.

  6. Turbulent Methane-Air Combustion

    NASA Technical Reports Server (NTRS)

    Yaboah, Yaw D.; Njokwe, Anny; James, LaShanda

    1996-01-01

    This study is aimed at enhancing the understanding of turbulent premixed methane-air combustion. Such understanding is essential since: (1) many industries are now pursuing lighter hydrocarbon alternative fuels and the use of premixed flames to reduce pollutant emissions, and (2) the characteristic dimensions and flow rates of most industrial combustors are often large for flows to be turbulent. The specific objectives of the study are: (1) to establish the effects of process variables (e.g., flow rate, fuel/air ratio, chlorinated hydro-carbons, and pressure) on the emissions and flow structure (velocity distribution, streamlines, vorticity and flame shape), and (2) to develop a mechanistic model to explain the observed trends. This includes the acquisition of Dantec FlowMap Particle Image Velocimeter. The design and fabrication of the premixed burner has also been completed. The study is now at the stage of testing of equipment and analytical instruments. The presentation will give details on the tasks completed and on the current and future plans. The project is progressing well and all activities are on schedule. The outlook for the success of the project is bright.

  7. Organofluorine chemistry: A Janus cyclohexane ring

    NASA Astrophysics Data System (ADS)

    Santschi, Nico; Gilmour, Ryan

    2015-06-01

    The first synthesis of the all-cis isomer of 1,2,3,4,5,6-hexafluorocyclohexane, a molecule with one hydrocarbon face and one fluorocarbon face, is a tour de force of organofluorine chemistry and opens up new possibilities for molecular design.

  8. Combustion of plasticized nitrocellulose

    SciTech Connect

    Arkhipov, A.G.; Denisyuk, A.P.; Kondrikov, B.N.

    1987-11-01

    The authors study the effects of composition, temperature, and pressure on the combustion kinetics of a mixture of nitrocellulose and a plasticizer consisting of propanetriol trinitrate for a wide range of concentration ratios of the components. Limiting values are established for combustion stability and the stabilizing effects of soot on combustion kinetics of the plastic are also determined.

  9. Combustion. Second edition

    SciTech Connect

    Glassman, I.

    1987-01-01

    This book presents papers on combustion kinetics. Topics considered include reaction heat, flame temperature calculations, pressure effects, explosions, oxidation, flame propagation, detonations, diffusion flames, turbulent fuel jets, fuel droplets, convection, ignition by shock waves, environmental combustion considerations, nitrogen oxide formation and reduction, sulfur dioxide emissions, and combustion control.

  10. Nitrogen release during coal combustion

    SciTech Connect

    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.

  11. Homogeneous catalysts in hypersonic combustion

    SciTech Connect

    Harradine, D.M.; Lyman, J.L.; Oldenborg, R.C.; Pack, R.T.; Schott, G.L.

    1989-01-01

    Density and residence time both become unfavorably small for efficient combustion of hydrogen fuel in ramjet propulsion in air at high altitude and hypersonic speed. Raising the density and increasing the transit time of the air through the engine necessitates stronger contraction of the air flow area. This enhances the kinetic and thermodynamic tendency of H/sub 2/O to form completely, accompanied only by N/sub 2/ and any excess H/sub 2/(or O/sub 2/). The by-products to be avoided are the energetically expensive fragment species H and/or O atoms and OH radicals, and residual (2H/sub 2/ plus O/sub 2/). However, excessive area contraction raises air temperature and consequent combustion-product temperature by adiabatic compression. This counteracts and ultimately overwhelms the thermodynamic benefit by which higher density favors the triatomic product, H/sub 2/O, over its monatomic and diatomic alternatives. For static pressures in the neighborhood of 1 atm, static temperature must be kept or brought below ca. 2400 K for acceptable stability of H/sub 2/O. Another measure, whose requisite chemistry we address here, is to extract propulsive work from the combustion products early in the expansion. The objective is to lower the static temperature of the combustion stream enough for H/sub 2/O to become adequately stable before the exhaust flow is massively expanded and its composition ''frozen.'' We proceed to address this mechanism and its kinetics, and then examine prospects for enhancing its rate by homogeneous catalysts. 9 refs.

  12. Compounds in airborne particulates - Salts and hydrocarbons. [at Cleveland, OH

    NASA Technical Reports Server (NTRS)

    King, R. B.; Antoine, A. C.; Fordyce, J. S.; Neustadter, H. E.; Leibecki, H. F.

    1977-01-01

    Concentrations of 10 polycyclic aromatic hydrocarbons (PAH), the aliphatics as a group, sulfate, nitrate, fluoride, acidity, and carbon in the airborne particulate matter were measured at 16 sites in Cleveland, OH over a 1-year period during 1971 and 1972. Analytical methods used included gas chromatography, colorimetry, and combustion techniques. Uncertainties in the concentrations associated with the sampling procedures, and the analytical methods are evaluated. The data are discussed relative to other studies and source origins. High concentrations downwind of coke ovens for 3,4 benzopyrene are discussed. Hydrocarbon correlation studies indicated no significant relations among compounds studied.

  13. HYDROCARBON OXIDATION OVER VANADIUM PHOSPHORUS OXIDE CATALYST USING HYDROGEN PEROXIDE

    EPA Science Inventory

    Selective oxidation of hydrocarbons is one of the very important and challenging areas in industrial chemistry due to the wide ranging utility of the resulting oxygenates in fine chemical synthesis. Most of the existing processes for their oxidations employ toxic and often stoich...

  14. Lightning production of hydrocarbons and HCN on Titan: laboratory measurements.

    PubMed

    Borucki, W J; Giver, L P; McKay, C P; Scattergood, T; Parris, J E

    1988-01-01

    Many hydrocarbon species have been detected in the atmosphere of Titan. It is possible that lightning activity is occurring in the troposphere and that it contributes to the hydrocarbon inventory. Measurements of the chemical yields of hydrogen cyanide, acetylene, ethylene, ethane, and propane from simulated lightning discharges are reported. A comparison of the experimental results with those based on thermodynamic equilibrium assumptions shows significant disagreement and implies that theories based solely on thermodynamic equilibrium are inadequate. Although photochemistry and charged particle chemistry occurring in the stratosphere can account for many of the observed hydrocarbon species, the predicted abundance of ethylene is too low by a factor of 10 to 40. While some ethylene will be produced by charged-particle chemistry, the production of ethylene by lightning and its subsequent diffusion into the stratosphere appears to be an adequate source. PMID:11538665

  15. Hydrocarbon Ions in the Ionospheres of Titan and Jupiter

    NASA Technical Reports Server (NTRS)

    Fox, J. L.

    1995-01-01

    Two examples are given of models of ion chemistry in reducing atmospheres: Titan, which is a satellite of Saturn, and Jupiter, the largest of the gas giants. In both ionospheres, layers of hydrocarbon and/or C, H, and N-containing ions have been predicted to appear, with larger ions dominating at lower altitudes. Altitude profiles are presented for individual C1- and C2-hydrocarbon ions and larger ions that are represented for example, as C(x)H(y)(+) and C(x)H(y)N(x)(+). The accuracy of the predictions is, however, limited by the availability of information about the chemistry of these ions. In addition to rate coefficients and product channels for ion-molecule reactions, dissociative recombination coefficients and branching ratios are needed for many hydrocarbon and and related ions.

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

    SciTech Connect

    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.

  17. 38th JANNAF Combustion Subcommittee Meeting. Volume 1

    NASA Technical Reports Server (NTRS)

    Fry, Ronald S. (Editor); Eggleston, Debra S. (Editor); Gannaway, Mary T. (Editor)

    2002-01-01

    This volume, the first of two volumes, is a collection of 55 unclassified/unlimited-distribution papers which were presented at the Joint Army-Navy-NASA-Air Force (JANNAF) 38th Combustion Subcommittee (CS), 26 th Airbreathing Propulsion Subcommittee (APS), 20th Propulsion Systems Hazards Subcommittee (PSHS), and 21 Modeling and Simulation Subcommittee. The meeting was held 8-12 April 2002 at the Bayside Inn at The Sandestin Golf & Beach Resort and Eglin Air Force Base, Destin, Florida. Topics cover five major technology areas including: 1) Combustion - Propellant Combustion, Ingredient Kinetics, Metal Combustion, Decomposition Processes and Material Characterization, Rocket Motor Combustion, and Liquid & Hybrid Combustion; 2) Liquid Rocket Engines - Low Cost Hydrocarbon Liquid Rocket Engines, Liquid Propulsion Turbines, Liquid Propulsion Pumps, and Staged Combustion Injector Technology; 3) Modeling & Simulation - Development of Multi- Disciplinary RBCC Modeling, Gun Modeling, and Computational Modeling for Liquid Propellant Combustion; 4) Guns Gun Propelling Charge Design, and ETC Gun Propulsion; and 5) Airbreathing - Scramjet an Ramjet- S&T Program Overviews.

  18. Ethylene oxidation chemistry in a well-stirred reactor

    SciTech Connect

    Marinov, N.; Malte, P.

    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. Combustion and core noise

    NASA Astrophysics Data System (ADS)

    Mahan, J. Robert; Karchmer, Allen

    1991-08-01

    Two types of aircraft power plant are considered: the gas turbine and the reciprocating engine. The engine types considered are: the reciprocating engine, the turbojet engine, the turboprop engine, and the turbofan engine. Combustion noise in gas turbine engines is discussed, and reciprocating-engine combustion noise is also briefly described. The following subject areas are covered: configuration variables, operational variables, characteristics of combustion and core noise, sources of combustion noise, combustion noise theory and comparison with experiment, available prediction methods, diagnostic techniques, measurement techniques, data interpretation, and example applications.

  20. Natural hydrocarbons, urbanization, and urban ozone

    SciTech Connect

    Cardelino, C.A.; Chameides, W.L. )

    1990-08-20

    Using the Atlanta metropolitan area as a case study, the authors examine the effects of urbanization and its associated heat island on urban ozone concentrations. Air quality data from Atlanta suggest that urban ozone concentrations are enhanced by increases in ambient temperature. Model calculations suggest that this enhancement is caused by the effect of temperature on the atmospheric chemistry of peroxyacetyl nitrate (PAN), as well as the temperature dependence of natural and anthropogenic hydrocarbon emissions. A comparison of summertime temperatures in Atlanta and a nearby rural station, suggests that Atlanta's temperature over the past 15 years has increased by about 2{degree}C due to urbanization and its concomitant intensification of the urban heat island. Numerical simulations using conditions of a typical summertime day in Atlanta suggest that this rise in temperature could have, (1) resulted in a significant increase in the net emissions of natural hydrocarbons in the area in spite of the loss of about 20% of the areas forests over the same period, and (2) negated the beneficial effects on summertime ozone concentrations that would have been obtained from a 50% reduction in anthropogenic hydrocarbon emissions. Because a NO{sub x}-based ozone abatement strategy appears to be less sensitive to temperature increases than does a hydrocarbon-based strategy, a NO{sub x} strategy may prove to be more effective in the future if temperatures continue to rise as a result of urbanization and the greenhouse effect.

  1. Blunted epidermal L-tryptophan metabolism in vitiligo affects immune response and ROS scavenging by Fenton chemistry, part 2: Epidermal H2O2/ONOO(-)-mediated stress in vitiligo hampers indoleamine 2,3-dioxygenase and aryl hydrocarbon receptor-mediated immune response signaling.

    PubMed

    Schallreuter, Karin U; Salem, Mohamed A E L; Gibbons, Nick C J; Maitland, Derek J; Marsch, Elke; Elwary, Souna M A; Healey, Andrew R

    2012-06-01

    Vitiligo is characterized by a mostly progressive loss of the inherited skin color. The cause of the disease is still unknown, despite accumulating in vivo and in vitro evidence of massive oxidative stress via hydrogen peroxide (H(2)O(2)) and peroxynitrite (ONOO(-)) in the skin of affected individuals. The most favored hypothesis is based on autoimmune mechanisms. Since depletion of the essential amino acid L-tryptophan (Trp) severely affects various immune responses, we here looked at Trp metabolism and signaling in these patients. Our in vivo and in vitro data revealed total absence of epidermal Trp hydroxylase activities and the presence of H(2)O(2)/ONOO(-) deactivated indoleamine 2,3-dioxygenase. Aryl hydrocarbon receptor signaling is severely impaired despite the ligand (Trp dimer) being formed, as shown by mass spectrometry. Loss of this signal is supported by the absence of downstream signals (COX-2 and CYP1A1) as well as regulatory T-lymphocytes and by computer modeling. In vivo Fourier transform Raman spectroscopy confirmed the presence of Trp metabolites together with H(2)O(2) supporting deprivation of the epidermal Trp pool by Fenton chemistry. Taken together, our data support a long-expressed role for in loco redox balance and a distinct immune response. These insights could open novel treatment strategies for this disease. PMID:22415306

  2. Plasma Processing Of Hydrocarbon

    SciTech Connect

    Grandy, Jon D; Peter C. Kong; Brent A. Detering; Larry D. Zuck

    2007-05-01

    The Idaho National Laboratory (INL) developed several patented plasma technologies for hydrocarbon processing. The INL patents include nonthermal and thermal plasma technologies for direct natural gas to liquid conversion, upgrading low value heavy oil to synthetic light crude, and to convert refinery bottom heavy streams directly to transportation fuel products. Proof of concepts has been demonstrated with bench scale plasma processes and systems to convert heavy and light hydrocarbons to higher market value products. This paper provides an overview of three selected INL patented plasma technologies for hydrocarbon conversion or upgrade.

  3. Method of regulating combustion in the combustion chambers of an internal combustion engine

    SciTech Connect

    Burkel, R.; Eckert, K.; Franke, H.; Linder, E.; Maurer, H.; Moser, W.; Muller, K.; Peter, C.; Rieger, F.

    1983-05-03

    A method is proposed for regulating the combustion of operating mixtures in the combustion chambers of internal combustion engines. The course of the light intensity of the light resulting from combustion in the combustion chamber is detected and evaluated over the course of combustion; reference control variables derived therefrom are formed for use by subsequently disposed closed-loop control devices of the engine.

  4. Circumstellar chemistry

    NASA Technical Reports Server (NTRS)

    Glassgold, Alfred E.; Huggins, Patrick J.

    1987-01-01

    The study of the outer envelopes of cool evolved stars has become an active area of research. The physical properties of CS envelopes are presented. Observations of many wavelengths bands are relevant. A summary of observations and a discussion of theoretical considerations concerning the chemistry are summarized. Recent theoretical considerations show that the thermal equilibrium model is of limited use for understanding the chemistry of the outer CS envelopes. The theoretical modeling of the chemistry of CS envelopes provides a quantitive test of chemical concepts which have a broader interest than the envelopes themselves.

  5. Carbon deposition model for oxygen-hydrocarbon combustion

    NASA Technical Reports Server (NTRS)

    Bossard, John A.

    1988-01-01

    The objectives are to use existing hardware to verify and extend the database generated on the original test programs. The data to be obtained are the carbon deposition characteristics when methane is used at injection densities comparable to full scale values. The database will be extended to include liquid natural gas (LNG) testing at low injection densities for gas generator/preburner conditions. The testing will be performed at mixture ratios between 0.25 and 0.60, and at chamber pressures between 750 and 1500 psi.

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

    SciTech Connect

    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.

  7. Kinetics and mechanism of soot formation in hydrocarbon combustion

    NASA Technical Reports Server (NTRS)

    Frenklach, Michael

    1990-01-01

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

  8. Natural hydrocarbons, urbanization, and urban ozone

    NASA Technical Reports Server (NTRS)

    Cardelino, C. A.; Chameides, W. L.

    1990-01-01

    The combined effects of emission control and urbanization, with its concomitant intensification of the urban heat island, on urban ozone concentrations are studied. The effect of temperature on ozone is considered, and attention is given to the temperature effect on ozone photochemistry. Model calculations suggest that ozone concentration enhancements are caused by the effect of temperature on the atmospheric chemistry of peroxyacetyl nitrate, as well as the temperature dependence of natural and anthropogenic hydrocarbon emissions. It is pointed out that, because of the sensitivity of urban ozone to local climatic conditions and the ability of trees to moderate summertime temperatures, the inadvertent removal of trees from urbanization can have an adverse effect on urban ozone concentration, while a temperature increase in the urban heat island caused by urbanization can essentially cancel out the ozone-reducing benefits obtained from a 50-percent reduction in anthropogenic hydrocarbon emissions.

  9. Opportunities in pulse combustion

    SciTech Connect

    Brenchley, D.L.; Bomelburg, H.J.

    1985-10-01

    In most pulse combustors, the combustion occurs near the closed end of a tube where inlet valves operate in phase with the pressure amplitude variations. Thus, within the combustion zone, both the temperature and the pressure oscillate around a mean value. However, the development of practical applications of pulse combustion has been hampered because effective design requires the right combination of the combustor's dimensions, valve characteristics, fuel/oxidizer combination, and flow pattern. Pulse combustion has several additional advantages for energy conversion efficiency, including high combustion and thermal efficiency, high combustion intensity, and high convective heat transfer rates. Also, pulse combustion can be self-aspirating, generating a pressure boost without using a blower. This allows the use of a compact heat exchanger that may include a condensing section and may obviate the need for a chimney. In the last decade, these features have revived interest in pulse combustion research and development, which has resulted in the development of a pulse combustion air heater by Lennox, and a pulse combustion hydronic unit by Hydrotherm, Inc. To appraise this potential for energy savings, a systematic study was conducted of the many past and present attempts to use pulse combustion for practical purposes. The authors recommended areas where pulse combustion technology could possibly be applied in the future and identified areas in which additional R and D would be necessary. Many of the results of the study project derived from a special workshop on pulse combustion. This document highlights the main points of the study report, with particular emphasis on pulse combustion application in chemical engineering.

  10. Surrogate Model Development for Fuels for Advanced Combustion Engines

    SciTech Connect

    Anand, Krishnasamy; Ra, youngchul; Reitz, Rolf; Bunting, Bruce G

    2011-01-01

    The fuels used in internal-combustion engines are complex mixtures of a multitude of different types of hydrocarbon species. Attempting numerical simulations of combustion of real fuels with all of the hydrocarbon species included is highly unrealistic. Thus, a surrogate model approach is generally adopted, which involves choosing a few representative hydrocarbon species whose overall behavior mimics the characteristics of the target fuel. The present study proposes surrogate models for the nine fuels for advanced combustion engines (FACE) that have been developed for studying low-emission, high-efficiency advanced diesel engine concepts. The surrogate compositions for the fuels are arrived at by simulating their distillation profiles to within a maximum absolute error of 4% using a discrete multi-component (DMC) fuel model that has been incorporated in the multi-dimensional computational fluid dynamics (CFD) code, KIVA-ERC-CHEMKIN. The simulated surrogate compositions cover the range and measured concentrations of the various hydrocarbon classes present in the fuels. The fidelity of the surrogate fuel models is judged on the basis of matching their specific gravity, lower heating value, hydrogen/carbon (H/C) ratio, cetane number, and cetane index with the measured data for all nine FACE fuels.

  11. Hypergolic bipropellant spray combustion and flow modelling in rocket engines

    NASA Technical Reports Server (NTRS)

    Larosiliere, Louis M.; Litchford, Ron J.; Jeng, San-Mou

    1990-01-01

    A predictive tool for hypergolic bipropellant spray combustion and flow evolution in small rocket combustion chambers 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 hypergolic spray interactions. Emphasis is placed on the phenomenological modeling of the hypergolic liquid bipropellant gasification processes. Sample computations with the N2H4-N2O4 propellant system are given in order to show some of the capabilities and inadequacies of this tool.

  12. A review of the neurotoxicity risk of selected hydrocarbon fuels.

    PubMed

    Ritchie, G D; Still, K R; Alexander, W K; Nordholm, A F; Wilson, C L; Rossi, J; Mattie, D R

    2001-01-01

    Over 1.3 million civilian and military personnel are occupationally exposed to hydrocarbon fuels, emphasizing gasoline, jet fuel, diesel fuel, or kerosene. These exposures may occur acutely or chronically to raw fuel, vapor, aerosol, or fuel combustion exhaust by dermal, respiratory inhalation, or oral ingestion routes, and commonly occur concurrently with exposure to other chemicals and stressors. Hydrocarbon fuels are complex mixtures of 150-260+ aliphatic and aromatic hydrocarbon compounds containing varying concentrations of potential neurotoxicants including benzene, n-hexane, toluene, xylenes, naphthalene, and certain n-C9-C12 fractions (n-propylbenzene, trimethylbenzene isomers). Due to their natural petroleum base, the chemical composition of different hydrocarbon fuels is not defined, and the fuels are classified according to broad performance criteria such as flash and boiling points, complicating toxicological comparisons. While hydrocarbon fuel exposures occur typically at concentrations below permissible exposure limits for their constituent chemicals, it is unknown whether additive or synergistic interactions may result in unpredicted neurotoxicity. The inclusion of up to six performance additives in existing fuel formulations presents additional neurotoxicity challenge. Additionally, exposures to hydrocarbon fuels, typically with minimal respiratory or dermal protection, range from weekly fueling of personal automobiles to waist-deep immersion of personnel in raw fuel during maintenance of aircraft fuel tanks. Occupational exposures may occur on a near daily basis for from several months to over 20 yr. A number of published studies have reported acute or persisting neurotoxic effects from acute, subchronic, or chronic exposure of humans or animals to hydrocarbon fuels, or to certain constituent chemicals of these fuels. This review summarizes human and animal studies of hydrocarbon fuel-induced neurotoxicity and neurobehavioral consequences. It is hoped that this review will support ongoing attempts to review and possibly revise exposure standards for hydrocarbon fuels. PMID:11503417

  13. Effect of fuel sulfur on nitrogen oxide formation in combustion processes. Final report, January 1976-December 1980

    SciTech Connect

    Wendt, J.O.L.; Corley, T.L.; Morcomb, J.T.

    1988-05-01

    This report gives results of research that focuses on the questions: is the sulfur content of a fuel likely to have a major influence on the resulting NOx emissions; and does the presence of fuel sulfur cause major changes in mechanisms of fuel NO formation. Research results will aid in the interpretation of data on effects of fuel quality and composition on pollutant formation and will help in the development of combustion modifications for pollutant control from burning dirty fuels. The most important conclusion is that the presence of fuel sulfur will increase the ultimate conversion of fuel nitrogen to NOx under poorly mixed flame conditions that are often typical of combustion modifications. The influence of sulfur is to increase the total amount of XN species (NO + NH3 + HCN) under rich conditions, and this effect is most pronounced at high temperatures. The mechanisms occur in the post-flame or at fairly long residence times and probably involve interactions between the hydrocarbon chemistry, sulfur, and nitrogenous species.

  14. Applications of ultrafast lasers for optical measurements in combusting flows.

    PubMed

    Gord, James R; Meyer, Terrence R; Roy, Sukesh

    2008-01-01

    Optical measurement techniques are powerful tools for the detailed study of combustion chemistry and physics. Although traditional combustion diagnostics based on continuous-wave and nanosecond-pulsed lasers continue to dominate fundamental combustion studies and applications in reacting flows, revolutionary advances in the science and engineering of ultrafast (picosecond- and femtosecond-pulsed) lasers are driving the enhancement of existing diagnostic techniques and enabling the development of new measurement approaches. The ultrashort pulses afforded by these new laser systems provide unprecedented temporal resolution for studies of chemical kinetics and dynamics, freedom from collisional-quenching effects, and tremendous peak powers for broad spectral coverage and nonlinear signal generation. The high pulse-repetition rates of ultrafast oscillators and amplifiers allow previously unachievable data-acquisition bandwidths for the study of turbulence and combustion instabilities. We review applications of ultrafast lasers for optical measurements in combusting flows and sprays, emphasizing recent achievements and future opportunities. PMID:20636093

  15. Thermogravimetric-mass spectrometric analysis on combustion of lignocellulosic biomass.

    PubMed

    Lpez-Gonzlez, D; Fernandez-Lopez, M; Valverde, J L; Sanchez-Silva, L

    2013-09-01

    Combustion characteristics of biomass main components and three lignocellulosic biomass (fir wood, eucalyptus wood and pine bark) were investigated by thermogravimetric analysis coupled with mass spectrometry. The combustion of biomass was divided into two main steps, devolatilization and char oxidation stage. Heating rate effect was also studied. Generally, the higher the heating rate, the higher the decomposition temperature. Furthermore, the weight loss rate decreased due to particle temperature gradients. Combustion kinetics were studied. Models based on reaction order (Oi), nucleation (Ni) and diffusion (Di) achieved the best fitting to the experimental data. Cellulose oxidation presented the highest activation energies. CO, CO2 and H2O were the main components evolved from combustion. Additionally, light hydrocarbons (CH4 and C2H5) were also present. Finally, nitrogen compounds were in a higher proportion than sulfur compounds being released as primary amines and NOx. PMID:23835261

  16. Nuclear Chemistry.

    ERIC Educational Resources Information Center

    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)

  17. Catalytic Chemistry.

    ERIC Educational Resources Information Center

    Borer, Londa; And Others

    1996-01-01

    Describes an approach for making chemistry relevant to everyday life. Involves the study of kinetics using the decomposition of hydrogen peroxide by vegetable juices. Allows students to design and carry out experiments and then draw conclusions from their results. (JRH)

  18. Chemistry Notes.

    ERIC Educational Resources Information Center

    School Science Review, 1981

    1981-01-01

    Describes 13 activities, experiments and demonstrations, including the preparation of iron (III) chloride, simple alpha-helix model, investigating camping gas, redox reactions of some organic compounds, a liquid crystal thermometer, and the oxidation number concept in organic chemistry. (JN)

  19. Precolumbian Chemistry.

    ERIC Educational Resources Information Center

    Robinson, Janet Bond

    1995-01-01

    Describes the content and development of a curriculum that provides an approach to descriptive chemistry and the history of technology through consideration of the pottery, metallurgy, pigments, dyes, agriculture, and medicine of pre-Columbian people. (DDR)

  20. Chemistry Notes

    ERIC Educational Resources Information Center

    School Science Review, 1973

    1973-01-01

    Several ideas are proposed for chemistry teachers to try in their classrooms. Subjects included are polymerization of acrylate, polymerization of styrene, conductivity, pollution, preparation of chlorine, redox equations, chemiluminescence, and molecular sieves. (PS)

  1. Chemistry Notes.

    ERIC Educational Resources Information Center

    School Science Review, 1980

    1980-01-01

    Describes equipment, activities, and experiments useful in chemistry instruction, including among others, a rapid method to determine available chlorine in bleach, simple flame testing apparatus, and a simple apparatus demonstrating the technique of flash photolysis. (SK)

  2. Supercritical droplet combustion and related transport phenomena

    NASA Technical Reports Server (NTRS)

    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.

  3. Method of improving fuel combustion efficiency

    SciTech Connect

    Talbert, W.L.

    1990-09-11

    This patent describes a method of operating an internal combustion engine. It comprises: vaporizing a gasoline-alcohol fuel mixture by heating it in a chamber to above the final boiling point of the gasoline at one atmosphere pressure in the absence of air to form a vaporized gasoline-alcohol fuel mixture and immediately mixing the vaporized gasoline-alcohol fuel mixture with air in a carburetor without forming liquid droplets in the mixture and then immediately combusting the mixture in the engine in substantially a vaporized state. The gasoline comprises a mixture of hydrocarbons: the mixture having an intermediate carbon range relative to c{sub 4}-C{sub 12} fuel.

  4. Studies of combustion kinetics and mechanisms

    SciTech Connect

    Gutman, D.

    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.

  5. Stratospheric chemistry

    SciTech Connect

    Brune, W.H. )

    1991-01-01

    Advances in stratospheric chemistry made by investigators in the United States from 1987 to 1990 are reviewed. Subject areas under consideration include photochemistry of the polar stratosphere, photochemistry of the global stratosphere, and assessments of inadvertent modification of the stratosphere by anthropogenic activity. Particular attention is given to early observations and theories, gas phase chemistry, Antarctic observations, Arctic observations, odd-oxygen, odd-hydrogen, odd-nitrogen, halogens, aerosols, modeling of stratospheric ozone, and reactive nitrogen effects.

  6. Membrane separation of hydrocarbons

    DOEpatents

    Funk, Edward W.; Kulkarni, Sudhir S.; Chang, Y. Alice

    1986-01-01

    Mixtures of heavy oils and light hydrocarbons may be separated by passing the mixture over a polymeric membrane which comprises a polymer capable of maintaining its integrity in the presence of hydrocarbon compounds at temperature ranging from about ambient to about 100.degree. C. and pressures ranging from about 50 to about 1000 psi. The membranes which possess pore sizes ranging from about 10 to about 500 Angstroms are cast from a solvent solution and recovered.

  7. Combustion characteristics of gas turbine alternative fuels

    NASA Technical Reports Server (NTRS)

    Rollbuhler, R. James

    1987-01-01

    An experimental investigation was conducted to obtain combustion performance values for specific heavyend, synthetic hydrocarbon fuels. A flame tube combustor modified to duplicate an advanced gas turbine engine combustor was used for the tests. Each fuel was tested at steady-state operating conditions over a range of mass flow rates, fuel-to-air mass ratio, and inlet air temperatures. The combustion pressure, as well as the hardware, were kept nearly constant over the program test phase. Test results were obtained in regards to geometric temperature pattern factors as a function of combustor wall temperatures, the combustion gas temperature, and the combustion emissions, both as affected by the mass flow rate and fuel-to-air ratio. The synthetic fuels were reacted in the combustor such that for most tests their performance was as good, if not better, than the baseline gasoline or diesel fuel tests. The only detrimental effects were that at high inlet air temperature conditions, fuel decomposition occurred in the fuel atomizing nozzle passages resulting in blockage. And the nitrogen oxide emissions were above EPA limits at low flow rate and high operating temperature conditions.

  8. Approximate stoichiometry for rich hydrocarbon mixtures

    SciTech Connect

    Beans, E.W. )

    1993-03-01

    The stoichiometry of lean mixtures can readily and accurately be determined from the assumption that all the carbon oxidizes to carbon dioxide and all the hydrogen oxidizes to water. This assumption is valid up to an equivalence ratio ([sigma]) of 0.8 and can be used with little error up to [sigma] = 1. The composition of the products of a hydrocarbon burnt in air under the foregoing assumption can be obtained from simple carbon, hydrogen, oxygen and nitrogen balances. Given the composition, one can determine the energy released and/or the adiabatic flame temperature. For rich mixtures, the foregoing assumption, of course, is not valid. Hence, there is no easy way to determine the stoichiometry of the products of a rich mixture. The objective of this note is to present an equation' which will allow one to readily determine the composition of the products of rich hydrocarbon mixtures. The equation is based on equilibrium composition calculations and some assumptions regarding the characteristics of hydrocarbons. The equation gives approximate results. However, the results are sufficiently accurate for many situations. If more accuracy is wanted, one should use an equilibrium combustion program like the one by Gordon and McBride.

  9. The effect of insulated combustion chamber surfaces on direct-injected diesel engine performance, emissions, and combustion

    NASA Technical Reports Server (NTRS)

    Dickey, Daniel W.; Vinyard, Shannon; Keribar, Rifat

    1988-01-01

    The combustion chamber of a single-cylinder, direct-injected diesel engine was insulated with ceramic coatings to determine the effect of low heat rejection (LHR) operation on engine performance, emissions, and combustion. In comparison to the baseline cooled engine, the LHR engine had lower thermal efficiency, with higher smoke, particulate, and full load carbon monoxide emissions. The unburned hydrocarbon emissions were reduced across the load range. The nitrous oxide emissions increased at some part-load conditions and were reduced slightly at full loads. The poor LHR engine performance was attributed to degraded combustion characterized by less premixed burning, lower heat release rates, and longer combustion duration compared to the baseline cooled engine.

  10. Chemistry of Aviation Fuels

    NASA Technical Reports Server (NTRS)

    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. Laser applications in combustion and combustion diagnostics

    SciTech Connect

    Liou, L.C.

    1993-01-01

    Lasers have become one of the most widely used tools in the scientific community, particularly in the field of combustion. Since the laser is a nonintrusive source of high-intensity energy that can be precisely controlled, it can be used as an ignition source in applications such as solid or liquid rockets, supersonic jet engines, and space-based microgravity experiments. Furthermore, due to the unique characteristics of lasers they are ideally suited for combustion diagnostics. The laser is an invaluable tool for studying the complex physical aspects of the combustion process in systems from boiler furnaces to rocket engines because parameters such as spray patterns, drop sizes, and the interactions between the fuel and oxidizer can readily be determined. This conference was the first of its kind, providing a forum for researchers in this field to exchange information and engage in technical discussions. It also underlined the importance of laser applications in combustion and combustion diagnostics. The papers in this proceedings are organized into three topical sessions: Laser Ignition, which includes theoretical and experimental results, and design considerations for various applications of laser ignition; Combustion Diagnostics, which presents well-established methods such as laser Doppler velocimetry, laser-induced fluorescence, Raman scattering and Raleigh scattering; and Droplet Diagnostics and Scattering, which studies the interaction between electromagnetic waves and droplets, and the hydrodynamics of a droplet. Papers have been processed for inclusion on the data base.

  12. Biosurfactant production by a soil Pseudomonas strain growing on polycyclic aromatic hydrocarbons

    SciTech Connect

    Deziel, E.; Paquette, G.; Villemur, R.; Lepine, F.

    1996-06-01

    Polycyclic aromatic hydrocarbons (PAHs) are ubiquitous pollutants occurring mostly as a result of fossil fuel combustion and as by-products of industrial activities. The bioremediation of soils contaminated with PAHs is limited by the poor availability of dyrophobic contaminants to microorganisms. Surfactants can help. Recent studies indicate that addition of surfactants can enhance hydrocarbon biodegradation. This study examines whether production of surfactants by PAH-metabolizing microorganisms is part of their strategy for growing on such poorly available substrates.

  13. Chemical and biological availability of hydrocarbons in urban harbor sediments

    USGS Publications Warehouse

    LeBlanc, L.A.; Brownawell, Bruce J.

    2002-01-01

    The degradation of saturated and aromatic hydrocarbons was studied in batch slurry experiments conducted with field-aged sediments, highly impacted by hydrocarbon pollution. Experiments focused on examining the effects of desorption limitations to hydrocarbon mineralization and degradation. Degradation of PAH (e.g., naphthalene, fluorene, acenaphthene) and saturated hydrocarbons was examined in field-aged sediments collected from four sites in greater NY Harbor and western Long Island Sound. The sites were Rikers Island in far western Long Island Sound, Williamsburg Bridge in the East River, Shooters Island in the Arthur Kill, and the Kill Van Kull off Bayonne, New Jersey. Patterns of hydrocarbon desorption and degradation in weathered sediments were complicated by the mixed combustion and oil-derived hydrocarbon sources, and differed markedly from patterns seen in sediments following an oil spill. Rates of degradation in experiments with spiked sediments, especially over short timescales, did not appear to be limited by rates of desorption. This is an abstract of a paper presented at the 224th ACS National Meeting (Boston, MA 8/18-22/2002).

  14. HYDROCARBON FORMATION ON POLYMER-SUPPORTED COBALT

    SciTech Connect

    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.

  15. A combustion model for IC engine combustion simulations with multi-component fuels

    SciTech Connect

    Ra, Youngchul; Reitz, Rolf D.

    2011-01-15

    Reduced chemical kinetic mechanisms for the oxidation of representative surrogate components of a typical multi-component automotive fuel have been developed and applied to model internal combustion engines. Starting from an existing reduced mechanism for primary reference fuel (PRF) oxidation, further improvement was made by including additional reactions and by optimizing reaction rate constants of selected reactions. Using a similar approach to that used to develop the reduced PRF mechanism, reduced mechanisms for the oxidation of n-tetradecane, toluene, cyclohexane, dimethyl ether (DME), ethanol, and methyl butanoate (MB) were built and combined with the PRF mechanism to form a multi-surrogate fuel chemistry (MultiChem) mechanism. The final version of the MultiChem mechanism consists of 113 species and 487 reactions. Validation of the present MultiChem mechanism was performed with ignition delay time measurements from shock tube tests and predictions by comprehensive mechanisms available in the literature. A combustion model was developed to simulate engine combustion with multi-component fuels using the present MultiChem mechanism, and the model was applied to simulate HCCI and DI engine combustion. The results show that the present multi-component combustion model gives reliable performance for combustion predictions, as well as computational efficiency improvements through the use of reduced mechanism for multi-dimensional CFD simulations. (author)

  16. Molecular Aluminum Additive for Burn Enhancement of Hydrocarbon Fuels.

    PubMed

    Guerieri, Philip M; DeCarlo, Samantha; Eichhorn, Bryan; Connell, Terrence; Yetter, Richard A; Tang, Xin; Hicks, Zachary; Bowen, Kit H; Zachariah, Michael R

    2015-11-12

    Additives to hydrocarbon fuels are commonly explored to change the combustion dynamics, chemical distribution, and/or product integrity. Here we employ a novel aluminum-based molecular additive, Al(I) tetrameric cluster [AlBrNEt3]4 (Et = C2H5), to a hydrocarbon fuel and evaluate the resultant single-droplet combustion properties. This Al4 cluster offers a soluble alternative to nanoscale particulate additives that have recently been explored and may mitigate the observed problems of particle aggregation. Results show the [AlBrNEt3]4 additive to increase the burn rate constant of a toluene-diethyl ether fuel mixture by ∼20% in a room temperature oxygen environment with only 39 mM of active aluminum additive (0.16 wt % limited by additive solubility). In comparison, a roughly similar addition of nano-aluminum particulate shows no discernible difference in burn properties of the hydrocarbon fuel. High speed video shows the [AlBrNEt3]4 to induce microexplosive gas release events during the last ∼30% of the droplet combustion time. We attribute this to HBr gas release based on results of temperature-programmed reaction (TPR) experiments of the [AlBrNEt3]4 dosed with O2 and D2O. A possible mechanism of burn rate enhancement is presented that is consistent with microexplosion observations and TPR results. PMID:26488461

  17. An oxy-hydrocarbon model of fossil fuels

    SciTech Connect

    Fred D. Lang; Tom Canning

    2007-09-15

    This paper asserts a new method of analyzing fossil fuels, useful for sorting coals into well-defined categories and for the identification of outlying ultimate analysis data. It describes a series of techniques starting with a new multivariant approach for describing the lower ranks of coal, progressing to a classical, but modified, single-variant approach for the volatile and high-energy ranks. In addition, for a few special cases, multiple low and high ranks are also well described by the multivariant approach. As useful as these techniques are for analyzing fuel chemistry in the laboratory arena, this work was initiated in support of Exergetic Systems' Input/Loss Method. At commercial coal-fired power plants, Input/Loss allows the determination of fuel chemistry based on combustion effluents. The methods presented allow equations to be developed independent of combustion stoichiometrics, which improve Input/Loss accuracy in determining fuel chemistry on-line and in real time.

  18. Combustion of Micropowdered Biomass

    NASA Astrophysics Data System (ADS)

    Geil, Ethan; Thorne, Robert

    2009-03-01

    Combustion of finely powdered biomass has the potential to replace heating oil, which accounts for a significant fraction of US oil consumption, in heating, cooling and local power generation applications. When ground to 30-150 micron powders and dispersed in air, wood and other biomass can undergo deflagrating combustion, as occurs with gaseous and dispersed liquid fuels. Combustion is very nearly complete, and in contrast to sugar/starch or cellulose-derived ethanol, nearly all of the available plant mass is converted to usable energy so the economics are much more promising. We are exploring the fundamental combustion science of biomass powders in this size range. In particular, we are examining how powder size, powder composition (including the fraction of volatile organics) and other parameters affect the combustion regime and the combustion products.

  19. Lump wood combustion process

    NASA Astrophysics Data System (ADS)

    Kubesa, Petr; Hork, Ji?; Branc, Michal; Krpec, Kamil; Hopan, Frantiek; Koloni?n, Jan; Ochodek, Tade; Drastichov, Vendula; Martink, Lubomr; Malcho, Milan

    2014-08-01

    The article deals with the combustion process for lump wood in low-power fireplaces (units to dozens of kW). Such a combustion process is cyclical in its nature, and what combustion facility users are most interested in is the frequency, at which fuel needs to be stoked to the fireplace. The paper defines the basic terms such as burnout curve and burning rate curve, which are closely related to the stocking frequency. The fuel burning rate is directly dependent on the immediate thermal power of the fireplace. This is also related to the temperature achieved in the fireplace, magnitude of flue gas losses and the ability to generate conditions favouring the full burnout of the fuel's combustible component, which, at once ensures the minimum production of combustible pollutants. Another part of the paper describes experiments conducted in traditional fireplaces with a grate, at which well-dried lump wood was combusted.

  20. Ignition and combustion characteristics of metallized propellants, phase 2

    NASA Technical Reports Server (NTRS)

    Mueller, D. C.; Turns, Stephen R.

    1994-01-01

    Secondary atomization and ignition characteristics of aluminum/hydrocarbon gel propellants were investigated. Models of gel droplet shell formation were applied to aluminum/liquid hydrocarbon propellants to examine the effects of solid loading and ultimate particle size on the minimum droplet diameter permitting secondary atomization. A one-dimensional model of a gel-fueled rocket combustion chamber was developed. A model for radiant heat transfer from hot aluminum oxide particles to the chamber walls is included. A two-dimensional, two-phase nozzle code was used to estimate nozzle two-phase losses and overall engine performance.

  1. Mutagenicity of particulates from the laboratory combustion of plastics.

    PubMed

    Lee, H; Wang, L; Shih, J F

    1995-03-01

    Carcinogenic polycyclic aromatic hydrocarbons (PAHs) and nitropolycyclic aromatic hydrocarbons (nitro-PAHs) have been identified in airborne particulate organic matter extracts. The pollutant sources were generally contributed by motor vehicles and industrial activity. Massive quantities of urban solid wastes, containing plastic materials such as PVC, PET, PS, and PE, burnt in the open air in local garbage dumps are frequently found in developing countries. In this study, the smog particulates from the combustion of these synthetic polymers were produced in a laboratory combustion chamber. The mutagenicity of acetone extracts from the smog particulates was evaluated with Salmonella typhimurium TA98 and TA100 in the presence and absence of S9 mix. Four samples in TA98 exhibited higher mutagenicity than those in TA100. The greatest mutagenicity was observed from the extracts of particulates from combustion of PVC followed by that of PS, PET, and PE. To determine the major mutagenic compounds in these samples, mutagens were partially purified through TLC and their mutagenicity was monitored with TA98. 1-NP and DNPs in the above samples were also determined by HPLC. The amounts of 1-NP and DNPs generally corresponded with their mutagenicity. Higher levels of 1-NP and DNPs were generated from the combustion of PVC, PET, and PS. The combustion of synthetic polymer wastes might be responsible for the presence of high levels of 1-NP and DNPs in Taiwan urban air. PMID:7700277

  2. Measurement of polynuclear aromatic hydrocarbon concentrations in the plume of Kuwait oil well fires

    SciTech Connect

    Olsen, K.B.; Wright, C.W.; Veverka, C.; Ball, J.C.; Stevens, R.

    1995-03-01

    Following their retreat from Kuwait during February and March of 1991, the Iraqi Army set fire to over 500 oil wells dispersed throughout the Kuwait oil fields. During the period of sampling from July to August 1991, it was estimated that between 3.29 {times} 10{sup 6} barrels per day of crude oil were combusted. The resulting fires produced several plumes of black and white smoke that coalesced to form a composite ``super`` plume. Because these fires were uncontrolled, significant quantities of organic materials were dispersed into the atmosphere and drifted throughout the Middle East. The organic particulants associated with the plume of the oil well fires had a potential to be rich in polynuclear aromatic hydrocarbon (PAH) compounds. Based on the extreme mutagenic and carcinogenic activities of PAHs found in laboratory testing, a serious health threat to the population of that region potentially existed. Furthermore, the Kuwait oil fire plumes represented a unique opportunity to study the atmospheric chemistry associated with PAHs in the plume. If samples were collected near the plume source and from the plume many kilometers downwind from the source, comparisons could be made to better understand atmospheric reactions associated with particle-bound and gas-phase PAHs. To help answer health-related concerns and to better understand the fate and transport of PAHs in an atmospheric environment, a sampling and analysis program was developed.

  3. Directly measuring reaction kinetics of ˙QOOH--a crucial but elusive intermediate in hydrocarbon autoignition.

    PubMed

    Zádor, Judit; Huang, Haifeng; Welz, Oliver; Zetterberg, Johan; Osborn, David L; Taatjes, Craig A

    2013-07-14

    Hydrocarbon autoignition has long been an area of intense fundamental chemical interest, and is a key technological process for emerging clean and efficient combustion strategies. Carbon-centered radicals containing an -OOH group, commonly denoted ˙QOOH radicals, are produced by isomerization of the alkylperoxy radicals that are formed in the first stages of oxidation. These ˙QOOH radicals are among the most critical species for modeling autoignition, as their reactions with O2 are responsible for chain branching below 1000 K. Despite their importance, no ˙QOOH radicals have ever been observed by any means, and only computational and indirect experimental evidence has been available on their reactivity. Here, we directly produce a ˙QOOH radical, 2-hydroperoxy-2-methylprop-1-yl, and experimentally determine rate coefficients for its unimolecular decomposition and its association reaction with O2. The results are supported by high-level theoretical kinetics calculations. Our experimental strategy opens up a new avenue to study the chemistry of ˙QOOH radicals in isolation. PMID:23689671

  4. Woodburning as a source of atmospheric polycyclic aromatic hydrocarbons

    SciTech Connect

    Freeman, D.J.; Cattell, F.C.R. )

    1990-10-01

    Airborne particulate matter containing polycyclic aromatic hydrocarbons derived from burning natural vegetation and paper products in a variety of ways was collected and analyzed by HPLC. Similar profiles of compounds resulted from most of the combustion sources that do not involve fossil fuels and that are likely to contribute to Sydney's atmospheric particulates. In addition, the profiles did not change markedly as a result of reactions occurring in the atmosphere or from reactions occurring on the filter after collection. Concentrations of benzo(a)pyrene and coronene were higher in the polycyclic aromatic hydrocarbons derived from bush fires than from other sources. Bush fires are likely to be a significant source of exposure of the Sydney population to polycyclic aromatic hydrocarbons.

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

    NASA Astrophysics Data System (ADS)

    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

  6. Simulation of a hydrocarbon fueled scramjet exhaust

    NASA Technical Reports Server (NTRS)

    Leng, J.

    1982-01-01

    Exhaust nozzle flow fields for a fully integrated, hydrocarbon burning scramjet were calculated for flight conditions of M (undisturbed free stream) = 4 at 6.1 km altitude and M (undisturbed free stream) = 6 at 30.5 km altitude. Equilibrium flow, frozen flow, and finite rate chemistry effects are considered. All flow fields were calculated by method of characteristics. Finite rate chemistry results were evaluated by a one dimensional code (Bittker) using streamtube area distributions extracted from the equilibrium flow field, and compared to very slow artificial rate cases for the same streamtube area distribution. Several candidate substitute gas mixtures, designed to simulate the gas dynamics of the real engine exhaust flow, were examined. Two mixtures are found to give excellent simulations of the specified exhaust flow fields when evaluated by the same method of characteristics computer code.

  7. Coal combustion products

    USGS Publications Warehouse

    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.

  8. Interstellar Grain Surface Chemistry

    NASA Technical Reports Server (NTRS)

    Tielens, Alexander G. G. M.; Cuzzi, Jeffrey N. (Technical Monitor)

    1995-01-01

    Chemistry on grain surfaces plays an Important role in the formation of interstellar Ices, It can also influence the composition of the gas phase through outgassing near luminous, newly formed stars. This paper reviews the chemical processes taking place on Interstellar grain surfaces with the emphasis on those transforming CO into other hydrocarbons. At low, molecular cloud temperatures (approximately equal to 10K), physisorption processes dominate interstellar grain surface chemistry and GO is largely hydrogenated through reactions with atomic H and oxidized through reactions with atomic O. The former will lead to the formation of H2CO and CH3OH ices, while the latter results in CO2 ice. The observational evidence for these ices in molecular clouds will be discussed. Very close to protostars, the gas and grain temperatures are much higher (approximately equal to 500K) and chemisorption processes, including catalytic surface reactions, becomes important. This will be illustrated based upon our studies of the Fischer-Tropsch Synthesis of CH4 from CO on metallic surfaces. Likely, this process has played an important role in the early solar nebula. Observational consequences will be pointed out.

  9. Combustion Byproducts Recycling Consortium

    SciTech Connect

    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.

  10. Diesel engine combustion processes

    SciTech Connect

    1995-12-31

    Diesel Engine Combustion Processes guides the engineer and research technician toward engine designs which will give the ``best payoff`` in terms of emissions and fuel economy. Contents include: Three-dimensional modeling of soot and NO in a direct-injection diesel engine; Prechamber for lean burn for low NOx; Modeling and identification of a diesel combustion process with the downhill gradient search method; The droplet group micro-explosions in W/O diesel fuel emulsion sprays; Combustion process of diesel spray in high temperature air; Combustion process of diesel engines at regions with different altitude; and more.

  11. Mixing in combustion

    NASA Astrophysics Data System (ADS)

    Dimotakis, Paul

    2013-11-01

    Mixing of reactants represents an important element in both non-premixed and premixed turbulent combustion. In non-premixed combustion, molecular mixing is a necessary first step that brings reactants together. In premixed combustion with local flame extinction and reignition, turbulent mixing of hot products with as-yet unburnt fluid is important to combustion behavior. The discussion on mixing will cover the role of entrainment, effects of Reynolds number and the mixing transition, effects of Schmidt number and gas- vs. liquid-phase reacting flows, heat release, Damkoehler-number (finite kinetic-rate) effects, and Mach-number effects. Support by the Air Force Office of Scientific Research.

  12. Droplet Combustion Experiment

    NASA Technical Reports Server (NTRS)

    Nayagam, Vedha

    1998-01-01

    Liquid fuel combustion provides a major portion of the world's energy supply. In most practical combustion devices, liquid burns after being separated into a droplet spray. Essential to the design of efficient combustion systems is a knowledge of droplet combustion behavior. The microgravity environment aboard spacecraft provides an opportunity to investigate the complex interactions between the physical and chemical combustion processes involved in droplet combustion without the complications of natural buoyancy. Launched on STS-83 and STS-94 (April 4 and July 1, 1997), the Droplet Combustion Experiment (DCE) investigated the fundamentals of droplet combustion under a range of pressures (0.25 to 1 atm), oxygen mole fractions (<0.5), and droplet sizes (1.5 to 5 mm). Principal DCE flight hardware features were a chamber to supply selected test environments, the use of crew-inserted bottles, and a vent system to remove unwanted gaseous combustion products. The internal apparatus contained the droplet deployment and ignition mechanisms to burn single, freely deployed droplets in microgravity. Diagnostics systems included a 35-mm high-speed motion picture camera (see the following sequence of photos) with a backlight to photograph burning droplets and a camcorder to monitor experiment operations. Additional diagnostics included an ultraviolet-light-sensitive CCD (charge couple discharge) camera to obtain flame radiation from hydroxyl radicals (see the final figure) and a 35-mm SLR (single-lens-reflex) camera to obtain color still photographs of the flames.

  13. Symposium on Combustion /International/, 16th, Massachusetts Institute of Technology, Cambridge, Mass., August 15-20, 1976, Proceedings

    NASA Technical Reports Server (NTRS)

    1977-01-01

    Aspects of combustion technology in power systems are considered, taking into account a combustion in large boilers, the control of over-all thermal efficiency of combustion heating systems, a comparison of mathematical models of the radiative behavior of a large-scale experimental furnace, a concentric multiannular swirl burner, and the effects of water introduction on diesel engine combustion and emissions. Attention is also given to combustion and related processes in energy production from coal, spray and droplet combustion, soot formation and growth, the kinetics of elementary reactions, flame structure and chemistry, propellant ignition and combustion, fire and explosion research, mathematical modeling, high output combustion systems, turbulent flames and combustion, and ignition, optical, and electrical properties.

  14. Chemistry Experiments

    NASA Technical Reports Server (NTRS)

    Brasseur, Guy; Remsberg, Ellis; Purcell, Patrick; Bhatt, Praful; Sage, Karen H.; Brown, Donald E.; Scott, Courtney J.; Ko, Malcolm K. W.; Tie, Xue-Xi; Huang, Theresa

    1999-01-01

    The purpose of the chemistry component of the model comparison is to assess to what extent differences in the formulation of chemical processes explain the variance between model results. Observed concentrations of chemical compounds are used to estimate to what degree the various models represent realistic situations. For readability, the materials for the chemistry experiment are reported in three separate sections. This section discussed the data used to evaluate the models in their simulation of the source gases and the Nitrogen compounds (NO(y)) and Chlorine compounds (Cl(y)) species.

  15. Polymer Chemistry

    NASA Technical Reports Server (NTRS)

    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.

  16. Fiber-Supported Droplet Combustion Experiment-2

    NASA Technical Reports Server (NTRS)

    Colantonio, Renato O.

    1998-01-01

    A major portion of the energy produced in the world today comes from the burning of liquid hydrocarbon fuels in the form of droplets. Understanding the fundamental physical processes involved in droplet combustion is not only important in energy production but also in propulsion, in the mitigation of combustion-generated pollution, and in the control of the fire hazards associated with handling liquid combustibles. Microgravity makes spherically symmetric combustion possible, allowing investigators to easily validate their droplet models without the complicating effects of gravity. The Fiber-Supported Droplet Combustion (FSDC-2) investigation was conducted in the Microgravity Glovebox facility of the shuttles' Spacelab during the reflight of the Microgravity Science Laboratory (MSL- 1R) on STS-94 in July 1997. FSDC-2 studied fundamental phenomena related to liquid fuel droplet combustion in air. Pure fuels and mixtures of fuels were burned as isolated single and duo droplets with and without forced air convection. FSDC-2 is sponsored by the NASA Lewis Research Center, whose researchers are working in cooperation with several investigators from industry and academia. The rate at which a droplet burns is important in many commercial applications. The classical theory of droplet burning assumes that, for an isolated, spherically symmetric, single-fuel droplet, the gas-phase combustion processes are much faster than the droplet surface regression rate and that the liquid phase is at a uniform temperature equal to the boiling point. Recent, more advanced models predict that both the liquid and gas phases are unsteady during a substantial portion of the droplet's burning history, thus affecting the instantaneous and average burning rates, and that flame radiation is a dominant mechanism that can extinguish flames in a microgravity environment. FSDC-2 has provided well-defined, symmetric droplet burning data including radiative emissions to validate these theoretical models for heptane, decane, ethanol, and methanol fuels. Since most commercial combustion systems burn droplets in a convective environment, data were obtained without and with convective flow over the burning droplet (see the following photos).

  17. Simplified Modeling of Oxidation of Hydrocarbons

    NASA Technical Reports Server (NTRS)

    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 heptane in a stirred reactor at various initial pressures ranging from 0.1 to 6 MPa. Most of the simulations were performed for stoichiometric mixtures; some were performed for fuel/oxygen mole ratios of 1/2 and 2.

  18. Hydrocarbon fuel detergent

    SciTech Connect

    Meyer, G.R.; Lyons, W.R.

    1990-01-23

    This patent describes a hydrocarbon fuel composition comprising: a hydrocarbon fuel; and a detergent amount of a detergent comprising an alkenylsuccinimide prepared by reacting an alkenylsuccinic acid or anhydride with a mixture of amines, wherein at least 90 weight percent of the alkenyl substituent is derived from an olefin having a carbon chain of from 10 to 30 carbons or mixtures thereof, and wherein the alkenylsuccinic acid or anhydride is reacted with the mixture of amines at a mole ratio of 0.8 to 1.5 moles of the amines per mole of the alkenylsuccinic acid or anhydride.

  19. Quantitative Hydrocarbon Surface Analysis

    NASA Technical Reports Server (NTRS)

    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.

  20. Confectionary Chemistry.

    ERIC Educational Resources Information Center

    Levine, Elise Hilf

    1996-01-01

    Presents activities and demonstrations that enable teachers to use various types of confections as tactile experiences to spark chemistry students' interest and generate enthusiasm for learning. Presents uses of candy in teaching about atomic structure, spontaneous nuclear decay, chemical formulas, fractoluminescence, the effect of a molecular