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Sample records for hydrocarbon combustion chemistry

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

    SciTech Connect

    Schaefer, H.F. III

    1994-08-01

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

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

    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)

  3. 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).

  4. 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.

  5. Predicting combustion properties of hydrocarbon fuel mixtures

    E-print Network

    Goldsmith, Claude Franklin, III

    2010-01-01

    In this thesis, I applied computational quantum chemistry to improve the accuracy of kinetic mechanisms that are used to model combustion chemistry. I performed transition state theory calculations for several reactions ...

  6. 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.

  7. 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.

  8. 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.

  9. Parallel Performance of a Combustion Chemistry Simulation Gregg Skinner

    E-print Network

    Padua, David

    combustion- generated pollutants, reducing knocking in internal combustion engines, studyingParallel Performance of a Combustion Chemistry Simulation Gregg Skinner Rudolf Eigenmann Center used a description of a combustion simulation'smathematicaland computationalmethods to develop

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

    DOEpatents

    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.

  11. 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.

  12. 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.

  13. Biofuel combustion chemistry: from ethanol to biodiesel.

    PubMed

    Kohse-Höinghaus, Katharina; Osswald, Patrick; Cool, Terrill A; Kasper, Tina; Hansen, Nils; Qi, Fei; Westbrook, Charles K; Westmoreland, Phillip R

    2010-05-10

    Biofuels, such as bio-ethanol, bio-butanol, and biodiesel, are of increasing interest as alternatives to petroleum-based transportation fuels because they offer the long-term promise of fuel-source regenerability and reduced climatic impact. Current discussions emphasize the processes to make such alternative fuels and fuel additives, the compatibility of these substances with current fuel-delivery infrastructure and engine performance, and the competition between biofuel and food production. However, the combustion chemistry of the compounds that constitute typical biofuels, including alcohols, ethers, and esters, has not received similar public attention. Herein we highlight some characteristic aspects of the chemical pathways in the combustion of prototypical representatives of potential biofuels. The discussion focuses on the decomposition and oxidation mechanisms and the formation of undesired, harmful, or toxic emissions, with an emphasis on transportation fuels. New insights into the vastly diverse and complex chemical reaction networks of biofuel combustion are enabled by recent experimental investigations and complementary combustion modeling. Understanding key elements of this chemistry is an important step towards the intelligent selection of next-generation alternative fuels. PMID:20446278

  14. 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.

  15. 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.

  16. 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.

  17. 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.

  18. Combustion Chemistry DOI: 10.1002/anie.200701890

    E-print Network

    Kaiser, Ralf I.

    .6 million tons in combustion processes,[5] PAHs and soot also contribute significantly to global warming.[11* During the last decades, polycyclic aromatic hydrocarbons (PAHs)[1] and other related aromatic compounds

  19. Infrared Analysis of Combustion Products and Intermediates of Hydrocarbon Combustion for Several Species

    NASA Astrophysics Data System (ADS)

    White, Allen; Devasher, Rebecca

    2015-06-01

    Hydrocarbons, especially large ones such as isooctane, have infrared active species that give insight into combustion stoichiometry and temperature. Here a Fourier-transform infrared spectrometer is utilized to study the IR active species for a number of stociometric conditions for several fuels including isooctane, kerosene, and ethanol. Special attention is given to intermediate species in different flame regions.

  20. (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.

  1. 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.

  2. 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.

  3. 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...

  4. Impact of retarded spark timing on engine combustion, hydrocarbon emissions, and fast catalyst light-off

    E-print Network

    Hallgren, Brian E. (Brian Eric), 1976-

    2005-01-01

    An experimental study was performed to determine the effects of substantial spark retard on engine combustion, hydrocarbon (HC) emissions, feed gas enthalpy, and catalyst light-off. Engine experiments were conducted at ...

  5. 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.

  6. 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.

  7. 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.

  8. 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.

  9. 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.

  10. 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.

  11. 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...

  12. Chemistry in Combustion Processes II Introduce and discuss some important topics and

    E-print Network

    Zevenhoven, Ron

    Chemistry in Combustion Processes II Introduce and discuss some important topics and methods of today's combustion chemistry research - Burning of biomass based fuels in large scale boilers - Black to ash - "Toolbox" for combustion chemistry analysis #12;Schedule CCP2-2012 #12;CCP2 2012 part B #12

  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. 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)

  15. Polycylcic Aromatic Hydrocarbons (PAH's) in dense cloud chemistry

    E-print Network

    Valentine Wakelam; Eric Herbst

    2008-02-26

    Virtually all detailed gas-phase models of the chemistry of dense interstellar clouds exclude polycyclic aromatic hydrocarbons (PAH's). This omission is unfortunate because from the few studies that have been done on the subject, it is known that the inclusion of PAH's can affect the gas-phase chemistry strongly. We have added PAH's to our network to determine the role they play in the chemistry of cold dense cores. In the models presented here, we include radiative attachment to form PAH-, mutual neutralization between PAH anions and small positively-charged ions, and photodetachment. We also test the sensitivity of our results to changes in the size and abundance of the PAH's. Our results confirm that the inclusion of PAH's changes many of the calculated abundances of smaller species considerably. In TMC-1, the general agreement with observations is significantly improved contrary to L134N. This may indicate a difference in PAH properties between the two regions. With the inclusion of PAH's in dense cloud chemistry, high-metal elemental abundances give a satisfactory agreement with observations. As a result, we do not need to decrease the observed elemental abundances of all metals and we do not need to vary the elemental C/O ratio in order to produce large abundances of carbon species in TMC-1 (CP).

  16. 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.

  17. 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.

  18. 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.

  19. 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

  20. 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

  1. 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.

  2. 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.

  3. 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

  4. 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.

  5. The reactivity of ground-state carbon atoms with unsaturated hydrocarbons in combustion ames and in the interstellar medium

    E-print Network

    Kaiser, Ralf I.

    and carbonaceous nanoparticles in combustion processes, chemical vapour deposition and the out¯ows of carbon stars bonds 339 5.2. Reactions of atomic carbon with hydrocarbons carrying carbon±carbon double bonds 340 5

  6. 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.

  7. 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.

  8. 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)

  9. 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.

  10. 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.

  11. 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.

  12. Stabilization of liquid hydrocarbon fuel combustion by using a programmable microwave discharge in a subsonic airflow

    SciTech Connect

    Kopyl, P. V.; Surkont, O. S.; Shibkov, V. M.; Shibkova, L. V.

    2012-06-15

    Under conditions of a programmable discharge (a surface microwave discharge combined with a dc discharge), plasma-enhanced combustion of alcohol injected into a subsonic (M = 0.3-0.9) airflow in the drop (spray) phase is stabilized. It is shown that the appearance of the discharge, its current-voltage characteristic, the emission spectrum, the total emission intensity, the heat flux, the electron density, the hydroxyl emission intensity, and the time dependences of the discharge current and especially discharge voltage change substantially during the transition from the airflow discharge to stabilized combustion of the liquid hydrocarbon fuel. After combustion stabilization, more than 80% of liquid alcohol can burn out, depending on the input power, and the flame temperature reaches {approx}2000 K.

  13. Hydrocarbon-fueled internal combustion engines: "the worst form of vehicle propulsion... except for all the other forms"

    E-print Network

    Hydrocarbon-fueled internal combustion engines: "the worst form of vehicle propulsion... except have been the workhorse of land, air and sea transportation system propulsion for nearly 100 years directly for propulsive force. Examples of internal combustion engines include gasoline, LPG or natural

  14. 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.

  15. 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.

  16. 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.

  17. 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.

  18. 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.

  19. 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.

  20. 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.

  1. 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.

  2. 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.

  3. 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

  4. 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

  5. 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

  6. 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.…

  7. BP Oil Spill and Air Chemistry Crude oil contains various hydrocarbons

    E-print Network

    Toohey, Darin W.

    BP Oil Spill and Air Chemistry Crude oil contains various hydrocarbons NOAA and CIRES here at CU went to the oil spill in an aircraft that was equipped with instruments to measure the air quality. 1/3 of the oil dissolved into the water column (methane completely, benzene and ethane almost completely) Showed

  8. Profiles of polycyclic aromatic hydrocarbons and polychlorinated biphenyls from the combustion of biomass pellets.

    PubMed

    Atkins, A; Bignal, K L; Zhou, J L; Cazier, F

    2010-03-01

    An investigation was made into the emissions of polycyclic aromatic hydrocarbons (PAHs) and polychlorinated biphenyls (PCBs) as well as inorganic gases (e.g. CO) from a wood fired combustion boiler using wood pellets, under two different boiler operating modes. Levels of total PAHs varied from 6.4 and 154 microg m(-3), and were found to be dominating in the gas phase (>80%), regardless of pellet type and boiler operating mode. In addition to this, PAH concentrations were higher in slumber mode than in full flame, and increased with the moisture content of pellets, consistent with the lower combustion efficiency in slumber mode (58.6-64.3%) than in full flame (74.4-82.3%). PAHs in the gas phase comprised mainly of low molecular mass compounds, while PAHs in the particulate phase were mostly composed of high molecular mass compounds, consistent with the physicochemical properties of such compounds. In comparison to PAHs, significantly lower concentrations of PCBs (a maximum of 2.5 microg m(-3)) were released from pellet combustion, consistent with the virgin nature of the pellets. The PCBs in both the gas and particulate phases were dominated by hexachlorinated congeners, although congeners with more chlorine substitution were more abundant in the particulate phase than in gas phase. Significant relationships were established between CO and organic pollutants, and between PAHs and PCBs, which are useful tools for prediction purposes. PMID:20080282

  9. 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 1.79±1.55, 12.1±9.1, and 5.36±4.46 mg/kg for fuel wood, brushwood, and bamboo, respectively. Approximate 86.7, 65.0, and 79.7% of the PAHs were associated with fine particulate matter with size less than 2.1 µm for these three types of fuels. Statistically significant difference in emission factors and size distributions of particle-bound PAHs between fuel wood and brushwood was observed, with the former had lower emission factors but more PAHs in finer PM. Mass fraction of the fine particles associated PAHs was found to be positively correlated with fuel density and moisture, and negatively correlated with combustion efficiency. Low and high molecular weight PAHs segregated into the coarse and fine PM, respectively. The high accumulation tendency of the PAHs from residential wood combustion in fine particles implies strong adverse health impact. PMID:25678760

  10. 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)

  11. 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.

  12. 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

  13. 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

  14. Emission characteristics of dioxins, furans and polycyclic aromatic hydrocarbons during fluidized-bed combustion of sewage sludge.

    PubMed

    Deng, Wenyi; Yan, Jianhua; Li, Xiaodong; Wang, Fei; Chi, Yong; Lu, Shengyong

    2009-01-01

    Pre-dried sewage sludge with high sulfur content was combusted in an electrically heated lab-scale fluidized-bed incinerator. The emission characteristics of polychlorinated dibenzo-p-dioxins (PCDDs), polychlorinated dibenzofurans (PCDFs) and polycyclic aromatic hydrocarbons (PAHs) were studied. Coal and calcium oxide (CaO) were added during the sewage sludge combustion tests to optimize combustion conditions and control SO2 emission. The results indicated that the flue gases emitted during mono-combustion of sewage sludge were characterized by relatively high concentrations of SO2, NOx and organic pollutants, due to the high sulfur, nitrogen, and volatile matter content of sewage sludge. The total 16 USEPA priority PAHs and 2,3,7,8-substituted PCDD/Fs produced from sewage sludge combustion were found to be 106.14 microg/m3 and 8955.93 pg/m3 in the flue gas, respectively. In the case of co-combustion with coal (m(sludge)/m(coal) = 1:1), the 16 PAHs and 2,3,7,8-substituted PCDD/Fs concentrations were markedly lower than those found during mono-combustion of sewage sludge. During co-combustion, a suppressant effect of CaO on PCDD/Fs formation was observed. PMID:20131608

  15. 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.

  16. 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.

  17. MULTIGRID METHOD FOR MODELING MULTIDIMENSIONAL COMBUSTION WITH DETAILED CHEMISTRY

    E-print Network

    part and fluid flow part are treated separately. For the flow part, the mass, momentumand energy equations can be solved by using the existing CFD code, therefore most efforts towards modeling combustion(Liao, 1995, Liu, 1995), very efficient CFD methods will greatly reduce the iteration numbers of the reaction

  18. 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...

  19. 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

  20. 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

  1. 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

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

    NASA Astrophysics Data System (ADS)

    Valle-Hernández, B. L.; Amador-Muñoz, O.; Jazcilevich, A. D.; Santos-Medina, G. L.; Hernández-Lopéz, 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.

  3. 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.

  4. 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.

  5. 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.

  6. 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.

  7. 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.

  8. 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.

  9. 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.

  10. 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...

  11. 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.

  12. 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.

  13. 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.

  14. 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.

  15. 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.

  16. 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.

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

    NASA Technical Reports Server (NTRS)

    Pratt, D. T.

    1984-01-01

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

  18. Investigation of the effect of chemistry models on the numerical predictions of the supersonic combustion of hydrogen

    SciTech Connect

    Kumaran, K.; Babu, V.

    2009-04-15

    In this numerical study, the influence of chemistry models on the predictions of supersonic combustion in a model combustor is investigated. To this end, 3D, compressible, turbulent, reacting flow calculations with a detailed chemistry model (with 37 reactions and 9 species) and the Spalart-Allmaras turbulence model have been carried out. These results are compared with earlier results obtained using single step chemistry. Hydrogen is used as the fuel and three fuel injection schemes, namely, strut, staged (i.e., strut and wall) and wall injection, are considered to evaluate the impact of the chemistry models on the flow field predictions. Predictions of the mass fractions of major species, minor species, dimensionless stagnation temperature, dimensionless static pressure rise and thrust percentage along the combustor length are presented and discussed. Overall performance metrics such as mixing efficiency and combustion efficiency are used to draw inferences on the nature (whether mixing- or kinetic-controlled) and the completeness of the combustion process. The predicted values of the dimensionless wall static pressure are compared with experimental data reported in the literature. The calculations show that multi step chemistry predicts higher and more wide spread heat release than what is predicted by single step chemistry. In addition, it is also shown that multi step chemistry predicts intricate details of the combustion process such as the ignition distance and induction distance. (author)

  19. 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.

  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

    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.

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

    NASA Astrophysics Data System (ADS)

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

    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.

  2. 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.

  3. 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.

  4. 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.

  5. 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.

  6. 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.

  7. 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.

  8. 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.

  9. 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.

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

    PubMed Central

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

  11. 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.

  12. The chemistry and spatial distribution of small hydrocarbons in UV-irradiated molecular clouds: the Orion Bar PDR

    NASA Astrophysics Data System (ADS)

    Cuadrado, S.; Goicoechea, J. R.; Pilleri, P.; Cernicharo, J.; Fuente, A.; Joblin, C.

    2015-03-01

    Context. Carbon chemistry plays a pivotal role in the interstellar medium (ISM) but even the synthesis of the simplest hydrocarbons and how they relate to polycyclic aromatic hydrocarbons (PAHs) and grains is not well understood. Aims: We study the spatial distribution and chemistry of small hydrocarbons in the Orion Bar photodissociation region (PDR), a prototypical environment in which to investigate molecular gas irradiated by strong UV fields. Methods: We used the IRAM 30 m telescope to carry out a millimetre line survey towards the Orion Bar edge, complemented with ~2' × 2' maps of the C2H and c-C3H2 emission. We analyse the excitation of the detected hydrocarbons and constrain the physical conditions of the emitting regions with non-LTE radiative transfer models. We compare the inferred column densities with updated gas-phase photochemical models including 13CCH and C13CH isotopomer fractionation. Results: Approximately 40% of the lines in the survey arise from hydrocarbons (C2H, C4H, c-C3H2, c-C3H, C13CH, 13CCH, l-C3H, and l-H2C3 in decreasing order of abundance). We detect new lines from l-C3H+ and improve its rotational spectroscopic constants. Anions or deuterated hydrocarbons are not detected, but we provide accurate upper limit abundances: [C2D]/[C2H] < 0.2%, [C2H-]/[C2H] < 0.007%, and [C4H-]/[C4H] < 0.05%. Conclusions: Our models can reasonably match the observed column densities of most hydrocarbons (within factors of <3). Since the observed spatial distribution of the C2H and c-C3H2 emission is similar but does not follow the PAH emission, we conclude that, in high UV-flux PDRs, photodestruction of PAHs is not a necessary requirement to explain the observed abundances of the smallest hydrocarbons. Instead, gas-phase endothermic reactions (or with barriers) between C+, radicals, and H2 enhance the formation of simple hydrocarbons. Observations and models suggest that the [C2H]/[c-C3H2] ratio (~32 at the PDR edge) decreases with the UV field attenuation. The observed low cyclic-to-linear C3H column density ratio (?3) is consistent with a high electron abundance (xe) PDR environment. In fact, the poorly constrained xe gradient influences much of the hydrocarbon chemistry in the more UV-shielded gas. The inferred hot rotational temperatures for C4H and l-C3H+ also suggest that radiative IR pumping affects their excitation. We propose that reactions of C2H isotopologues with 13C+ and H atoms can explain the observed [C13CH]/[13CCH] = 1.4 ± 0.1 fractionation level. Based on observations obtained with the IRAM 30 m telescope. IRAM is supported by INSU/CNRS (France), MPG (Germany), and IGN (Spain).Appendices are available in electronic form at http://www.aanda.org

  13. 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.

  14. 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.

  15. Chemistry in the Center for Catalytic Hydrocarbon Functionalization: An Energy Frontier Research Center

    E-print Network

    Goddard III, William A.

    new methods to rearrange the bonds of hydrocarbons, activate and transform water and carbon dioxide. Keywords Carbon dioxide Á Catalysis Á Energy Á Fuel cell Á Functionalization Á Hydrocarbon Á Methane Á Science+Business Media, LLC 2010 Abstract Selective catalysts that activate small mole- cules

  16. 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.

  17. 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.

  18. 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.

  19. 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.

  20. Direct numerical simulation of supersonic combustion with finite-rate chemistry

    NASA Astrophysics Data System (ADS)

    Saghafian, Amirreza; Pitsch, Heinz

    2011-11-01

    Three-dimensional direct numerical simulations (DNS) of reacting and inert compressible turbulent mixing layers have been performed. The simulations cover convective Mach numbers from subsonic to supersonic. A detailed chemistry mechanism with 9 species and 29 reactions for hydrogen is used in the reacting simulations. Effects of different initial conditions on the structure of the mixing layer, and time required to reach self-similarity are studied. Flame/turbulence interaction is analyzed by studying turbulent kinetic energy, Reynolds stresses, and their budgets in the reacting and inert simulations. The effects of different reactions on the heat release and mixture composition especially in the regions where shocklets impinge the flame are studied. These DNS databases will provide a better understanding for the compressibility effects on the combustion, and will be used to assess the accuracy of Flamelet/Progress variable approach in supersonic regime. This material is based upon work supported by the Department of Energy under the Predictive Science Academic Alliance Program (PSAAP) at Stanford University, Award Number(s)DE-FC52-08NA28614.

  1. 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.

  2. 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 ...

  3. 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

  4. 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...

  5. Development and Validation of ReaxFF Reactive Force Field for Hydrocarbon Chemistry Catalyzed by Nickel

    E-print Network

    Goddard III, William A.

    by Nickel Jonathan E. Mueller, Adri C. T. van Duin, and William A. Goddard III*, Materials and Process reactions catalyzed by nickel surfaces and particles using reactive molecular dynamics on thousands of atoms adsorption, decomposition, reformation and desorption of hydrocarbons as they interact with the nickel

  6. 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…

  7. 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.

  8. 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.

  9. 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.

  10. 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.

  11. Experimental investigation of the atmospheric chemistry of aromatic hydrocarbons and long-chain alkanes. Final report

    SciTech Connect

    Atkinson, R.; Arey, J.; Tuazon, E.C.; Aschmann, S.M.; Bridier, I.

    1994-08-01

    The interaction of volatile organic compounds (VOCs) and oxides of nitrogen in the presence of sunlight leads to the formation of ozone and other manifestations of photochemical air pollution. There are, however, significant uncertainties in our knowledge of the products and mechanisms of the atmospheric reactions of alkanes and aromatic hydrocarbons, important constituents of ambient air in urban areas, with the hydroxyl (OH) radical. A series of product studies of the OH radical-initiated reactions of selected alkanes, ketones and alcohols have been carried out to obtain further insights into alkoxy radical isomerization. Product studies of the OH radical reaction with 4-methyl-2-pentanone, 2,6-dimethyl-4-heptanone, 2,4-dimethyl-2-pentanol and 3,5-dimethyl-3-hexanol in the presence of NOx have provided unambiguous evidence for alkoxy radical isomerization and these studies have provided rate constant ratios for the isomerization reaction versus alkoxy radical decomposition and reaction with O2.

  12. 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.

  13. 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.

  14. 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.

  15. The solubility of 40Ar and Kr in liquid hydrocarbons: implications for Titan's chemistry and evolution

    NASA Astrophysics Data System (ADS)

    Hodyss, R. P.; Choukroun, M.; Sotin, C.; Beauchamp, P. M.

    2012-12-01

    We have experimentally determined the solubility of argon in methane and ethane between 90 K and 110 K, and krypton in methane and ethane at 94 K. Argon solubilities are found to be very large (47% in methane and 15% in ethane) at Titan surface temperatures (94K). Liquid alkane reservoirs on Titan are thus an important potential reservoir of 40Ar ; the amount of argon in the Titan lakes can be several times the atmospheric amount. Large subsurface reservoirs of liquid ethane and methane could be sufficient to trap much of the argon outgassing from Titan's interior. This can help explain the discrepancy between the potential amount of 40Ar produced inside Titan's interior, and the amount observed in the atmosphere by Cassini-Huygens. Consequently, on Titan, liquid hydrocarbons may function as a buffer in the outgassing of volatiles from the interior, and they may strongly influence the evolution of the atmosphere's composition through release of soluble gases upon evaporation and/or intake upon condensation.

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

    NASA Astrophysics Data System (ADS)

    Guzmán, V. V.; Pety, J.; Goicoechea, J. R.; Gerin, M.; Roueff, E.; Gratier, P.; Öberg, 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).

  17. 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.

  18. 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 (?16 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

  19. 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

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

    E-print Network

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

    2015-01-01

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

  1. 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.

  2. 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 (41°18'N, 72 °45'W). Biomass type and combustion levels of these fires and whether they occurred locally or regionally can be derived from these indicators. Such details, together with other paleoenvironmental indicators recorded in sediment cores (e.g., pollen, macrofossils, and LOI) helped unravel the environmental conditions before and after fires. Alkanes, PAHs, alkylated PAHs, and the ratio of soot to char indicate that in the Younger Dryas, fire occurred at a relatively low temperature (i.e. smoldering), followed by an abrupt increase of flaming combustion of softwood (white pine) at the Holocene boundary. Our paleofire data supports the previous interpretations of a shift towards a warm and dry climate in the southern New England region at this time.

  3. 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.

  4. 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.

  5. 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.

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

    NASA Astrophysics Data System (ADS)

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

    2011-12-01

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

  7. Assessment of combustion sources that emit polychlorinated dioxins and furans, polycyclic aromatic hydrocarbons, and other toxic compounds. Final report

    SciTech Connect

    Hosenfeld, J.M.

    1992-01-01

    Source tests for emissions of toxic air pollutants were conducted at two waste oil burners and two drum reconditioning facilities. Analytical results were reported for emissions of polychlorinated dibenzo-p-dioxins and -furans (dioxins), polycyclic aromatic hydrocarbons (PAHs), and toxic metal. Thhe dioxin and metal data obtained from the study were compared to data from previous cement kiln emissions tests. The dioxin levels from the waste oil users were about two orders of magnitude lower than those from the cement kilns. The metals data showed no apparent difference between the two source types. The drum reconditioning facilities have dioxin and metal emission levels comparable to the cement kiln data.

  8. Spatially resolved l-c3h+ emission in the horsehead photodissociation region: Further evidence for a top-down hydrocarbon chemistry

    E-print Network

    Guzmán, V V; Goicoechea, J R; Gerin, M; Roueff, E; Gratier, P; Oberg, K I

    2015-01-01

    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 mum PAH 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 unde...

  9. 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.

  10. 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.

  11. 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.

  12. 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

  13. Development of relative potency estimates for PAHs and hydrocarbon combustion product fractions compared to benzo(a)pyrene and their use in carcinogenic risk assessments

    SciTech Connect

    Thorslund, T.W.; Farrar, D.

    1990-09-01

    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. The approach uses the two-stage model described in the previous contract work to convert the tumor incidence data in a variety of bioassays to a low-dose linear slope of the dose-response curve. The potency of mixtures and components of mixtures is expressed as a fraction of the potency of benzo(a)pyrene (B(a)P), which is treated as a reference standard. The basic assumption of the method is that the relative potency of the mixture is the weighted average of the relative potency of the components. The method is applied to data generated by a single group of investigators on lung cancer in female Osborne-Mendel rats induced by implantation of test material in the lung. Diesel engine exhaust, gasoline engine exhaust, flue gas condensate from coal-fired furnances and sidestream cigarette smoke were tested, along with their identified chemical components and solvent-extracted components. Of nine different procedures for evaluating the relative potency of combustion product mixtures from their components, the most accurate one assumes that the relative potency of the solvent-extracted fraction containing greater than three rings is equal to B(a)P.

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

    PubMed

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

    2014-12-16

    Exposure to polycyclic aromatic hydrocarbons (PAHs) from burning "smoky" (bituminous) coal has been implicated as a cause of the high lung cancer incidence in the counties of Xuanwei and Fuyuan, China. Little is known about variations in PAH exposure from throughout the region nor how fuel source and stove design affects exposure. Indoor and personal PAH exposure resulting from solid fuel combustion in Xuanwei and Fuyuan was investigated using repeated 24 h particle bound and gas-phase PAH measurements, which were collected from 163 female residents of Xuanwei and Fuyuan. 549 particle bound (283 indoor and 266 personal) and 193 gas phase (all personal) PAH measurements were collected. Mixed effect models indicated that PAH exposure was up to 6 times higher when burning smoky coal than smokeless coal and varied by up to a factor of 3 between different smoky coal geographic sources. PAH measurements from unventilated firepits were up to 5 times that of ventilated stoves. Exposure also varied between different room sizes and season of measurement. These findings indicate that PAH exposure is modulated by a variety of factors, including fuel type, coal source, and stove design. These findings may provide valuable insight into potential causes of lung cancer in the area. PMID:25393345

  15. 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 Andrés; 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.

  16. 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

  17. 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…

  18. FROM INTERSTELLAR POLYCYCLIC AROMATIC HYDROCARBONS AND ICE TO ASTROBIOLOGY

    E-print Network

    1 FROM INTERSTELLAR POLYCYCLIC AROMATIC HYDROCARBONS AND ICE TO ASTROBIOLOGY LOUIS J. ALLAMANDOLA hydrocarbons (PAHs), shockingly large molecules by earlier interstellar chemistry standards, is widespread

  19. 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.

  20. 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.

  1. 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.

  2. 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.

  3. 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.

  4. 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.

  5. 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

  6. 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.

  7. 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 (Créteil) 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 (Cinétique de Réaction 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 Créteil.

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

    PubMed Central

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

    2013-01-01

    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

  9. 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.

  10. 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…

  11. 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.

  12. Small-scale combustion testing

    SciTech Connect

    Gibbon, G.A.; Ekmann, J.M.; White, C.M.; Navadauskas, R.J.; Retcofsky, H.L.; Joubert, J.I.

    1983-01-01

    In order to assess the possible environmental impact of substituting synfuels for petroleum in utility and industrial boilers, two experimental programs have been undertaken at the Pittsburgh Energy Technology Center. First, a fully instrumented 20-hp firetube boiler capable of burning liquid fuels ranging in combustion characteristics from No. 2 to No. 6 petroleum has been installed in the Combustion Division. Second, a sampling and analytical methodology for the organic compounds present in the exhaust duct of the 20-hp boiler is being developed by the Analytical Chemistry Division. This report outlines the progress on this project to date: twenty-four successful combustion runs have been completed on the 20-hp boiler, using a variety of petroleum-based fuels and synfuels; a sampling protocol for organic vapors in hot exhaust gases has been developed; significant differences in the composition of the trace organics in the exhaust gases have been observed as a function of the fuel being burned, but total polynuclear aromatic hydrocarbon levels are comparable for all fuels. 6 references, 10 tables.

  13. 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.

  14. Small scale combustion testing of synthetic fuels

    SciTech Connect

    Gibbon, G.A.; Ekmann, J.M.; Navadauskas, R.J.; White, C.M.

    1982-03-01

    In order to assess any changes in the environmental impact of industrial or utility boiler exhaust gases upon changing from petroleum-based fuels to synthetic fuels, detailed characterizations of the exhaust emissions from both types of fuels burned under identical combustion conditions are required. A 20-hp (approximately 5 gallons of liquid fuel feed per hour) firetube boiler has been installed in the Combustion Technology Division of the Pittsburgh Energy Technology Center (PETC) so such experiments can be performed. The boiler is fully instrumented for heat and material balance measurements, including analysis of the major and minor components of the combustion gases and the total hydrocarbons and particulates present in the gases. In addition, the exhaust duct of the boiler has a sampling port adjacent to the one used for major and minor components; this port is used to sample exhaust gases for the analysis of the trace organic compounds present in the gases. The Analytical Chemistry Division of PETC is developing the sampling and analytical methodologies for the trace organics. The effort to date has been focused on the problems involved in sampling the hot (ca. 350/sup 0/F) exhaust gases and on the analysis of the gases for polynuclear aromatic hydrocarbons.

  15. 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...

  16. 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.

  17. 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...

  18. 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.

  19. 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.

  20. 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.

  1. 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...

  2. Isoprenoid petroleum hydrocarbons

    NASA Astrophysics Data System (ADS)

    Petrov, Al A.; Abryutina, N. N.

    1989-06-01

    The outcome of studies on the chemistry of petroleum carried out during the last 10-15 years is examined. It is shown that petroleum is a very complex mixture of natural products, the most important place among which is occupied by C10-C40 isoprenoid hydrocarbons represented by aliphatic, alicyclic, and aromatic compounds. The relations between the isoprenoid petroleum hydrocarbons and their possible bioorganic precursors are discussed. The possibility of using isoprenoid hydrocarbons (as biomarkers) in discovering the pathways leading to the genesis and chemical evolution of petroleums and also prospecting for petroleum deposits is demonstrated. The bibliography includes 104 references.

  3. 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...

  4. 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; Neši?, Ljiljana; Švarc-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.

  5. 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.

  6. Stack contamination effects during small-scale combustion testing of synthetic fuels

    SciTech Connect

    Douglas, L.J.; Gibbon, G.A.; White, C.M.

    1984-01-01

    The Analytical Chemistry Branch at the Pittsburgh Energy Technology Center has undertaken the assessment of the possible environmental impact of substituting synfuels for petroleum-based fuels in utility and industrial boilers. The assessment is based on a study of results obtained from the analysis of trace organic compounds present in the exaust gases of a fully instrumented 20-hp firetube boiler. The stack gases from petroleum-based fuels, synfuels, and methanol combustion tests have been sampled and analyzed by combined gas chromatography/mass spectrometry. The stack gas sampled during the combustion of methanol showed the presence of saturated and aromatiic hydrocarbons as well as detectable amounts of organic sulfur compounds, such as dibenzothiophene. The presence of these compounds could not be explained on the basis of methanol showed the presence of saturated and aromatic hydrocarbons as well as detectable amounts of organic sulfur compounds, such as dibenzothiophene. The presence of these compounds could not be explained on the basis of methanol combustion but suggests contamination of the 20-hp combustor-exhaust system from earlier tests using petroleum or coal-derived fuels. The previously established exhaust stack protocol was reviewed by the Combustion Technology Branch and the Analytical Chemistry Branch. It was decided that a more exhaustive protocol was required. When this revised protocol was instituted, cross-contamination and memory effects disappeared, and sampling integrity was reestablished, thus allowing the analytical data to be properly interpreted. 5 references, 7 figures, 5 tables.

  7. 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 (?=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

  8. 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.

  9. Rate constants for the reacion C4H radical with various hydrocarbons at very low temperatures relevant to the atmospheric chemistry of Titan and other astronomical sources

    NASA Astrophysics Data System (ADS)

    Berteloite, Coralie; Le Picard, Sébastien D.; Canosa, André; Sims, Ian R.

    There is a huge interest on the satellite of Saturn, Titan, because its atmosphere is probably comparable to our primitive atmosphere. This particular attention has been enhanced by the recent Cassini-Huygens mission that should significantly increase our knowledge about the atmospheres composition (especially for the minority species) and the complex chemistry that takes place. The atmosphere of Titan is mainly composed of molecular nitrogen with a notable fraction of methane (1.5 - 5 %). Many organic compounds have been detected and the active photochemistry taking place in the upper atmosphere is supposed to be responsible for the haze that hides Titan's surface. According to photochemical models, diacetylene C4H2 production is initiated by the photodissociation of acetylene C2H2 (a product of methane photolysis) with the following mechanism: C2H2 + h? ? C2H + H(h? < 217nm) C2H + C2H2 ? C4H2 + H Diacetylene (also called butadiyne) is the first of the polyynes series proposed as a route of formation of the haze particles present in the upper atmosphere. Photolysis of diacetylene can leads to a large amount of radicals including C4H that can react to form longer carbonated chain. Up to now, in photochemical models, the kinetics of C4H is assumed to be the same than C2H. This is however a highly speculative assumption. It is crucial, therefore to determine the rate constants of the reactions involving C4H at low temperatures, especially as this radical has been detected in many important astronomical sources (diffuse gas, dark molecular clouds and circumstellar envelopes). The CRESU technique (Cinétique de Réaction en Ecoulement Supersonique Uniforme) based on a gas expansion through a Laval nozzle has been used to generate a cold supersonic flow. Kinetics measurements were achieved using PLP (Pulsed Laser Photolysis) LIF (Laser Induced Fluorescence) technique.We present the first results on the kinetics of C4H reactions with several hydrocarbons such as C2H2, C2H4, C2H6 and C4H2.

  10. 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…

  11. 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.

  12. 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

  13. Plantwide Energy Management for Hydrocarbon and Petrochemical Industry 

    E-print Network

    Ahmed, A.; Clinkscales, T.

    1988-01-01

    MANAGEMENT FOR HYDROCARBON AND PETROCHEMICAL INDUSTRY Anwar Ahmed Combustion Engineering Australia Pty. LId. Box HiI~ Victoria, Australia ABSTRACT Within the hydrocarbon and petrochemical industry the generation and utilization of various forms... Clinkscales Combustion Engineering Simcon, Inc. Houston, Texas WHAT IS PlANTWIDE EMS? Presently, many of the energy management systems installed in the hydrocarbon and petrochemical industry optimize the utility plant only and do not interface...

  14. 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.

  15. 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.

  16. 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.

  17. 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.

  18. Nox reduction system utilizing pulsed hydrocarbon injection

    DOEpatents

    Brusasco, Raymond M. (Livermore, CA); Penetrante, Bernardino M. (San Ramon, CA); Vogtlin, George E. (Fremont, CA); Merritt, Bernard T. (Livermore, CA)

    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.

  19. 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.

  20. 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.

  1. 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.

  2. 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.

  3. 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.

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

    E-print Network

    Rimmer, P B; Bilger, C

    2013-01-01

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

  5. Atomic displacements due to spinspin repulsion in conjugated alternant hydrocarbons

    E-print Network

    Benzi, Michele

    Atomic displacements due to spin­spin repulsion in conjugated alternant hydrocarbons Ernesto-induced atomic displacements in conjugated alt- ernant hydrocarbons. It appears to be responsible alternant hydrocarbons (CAHs) have played a fun- damental role in the development of theoretical chemistry

  6. 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.

  7. Small-scale combustion testing of synthetic fuels

    SciTech Connect

    Gibbon, G.A.; Ekmann, J.M.; White, C.M.; Navadauskas, R.J.; Joubert, J.I.; Retcofsky, H.L.

    1981-11-01

    In order to assess the possible environmental impact of substituting synfuels for petroleum in utility and industrial boilers, two experimental programs have been undertaken at the Pittsburgh Energy Technology Center. First, a fully instrumented 20-hp firetube boiler capable of burning liquid fuels ranging in combustion characteristics from No. 2 to No. 6 petroleum has been installed in the Combustion Division. Second, a sampling and analytical methodology for the organic compounds present in the exhaust duct of the 20-hp boiler is being developed by the Analytical Chemistry Division. This report outlines the progress on this project to date: twenty-four successful combustion runs have been completed on the 20-hp boiler, using a variety of petroleum-based fuels and synfuels; a sampling protocol for organic vapors in hot exhaust gases has been developed; significant differences in the composition of the trace organics in the exhaust gases have been observed as a function of the fuel being burned, but total polynuclear aromatic hydrocarbon levels are comparable for all fuels.

  8. Hydrocarbon-enhanced particulate filter regeneration via microwave ignition

    SciTech Connect

    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.

  9. 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

  10. 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.

  11. 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.

  12. 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)

  13. 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.

  14. 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.

  15. 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)

  16. 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.

  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. Computational Combustion

    SciTech Connect

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

    2004-08-26

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

  19. 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.

  20. 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.

  1. 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.

  2. 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.

  3. Emissions from syngas combustion

    SciTech Connect

    Whitty, K.J.; Zhang, H.R.; Eddings, E.G.

    2008-07-01

    Gasification technology has matured to the point that previously-held hesitations regarding performance and availability have given way to acceptance of the technology for energy generation. Indeed, the past few years have seen a significant increase in the number of gasifiers installed for generation of power and heat, and the number of installations is expected to increase dramatically over the next several decades as demand for efficient and environmentally sound energy generation increases. It is valuable to consider the environmental impact of this new generation of energy production systems, specifically release of gaseous emissions from combustion of the synthesis gas produced by gasification. Emissions from syngas combustion in turbines, engines and boilers are discussed in this review. The types of emissions considered include the unburned fuel components and partially oxidized species, nitrogen and sulfur-containing gases, volatile organic compounds, and other trace elements. Combustion of synthesis gas, in general, produces lower emissions for heat and power generation than conventional liquid and solid fuels. The composition of the syngas strongly influences the level of emissions. Hydrogen and carbon monoxide in synthesis gases results in elevated combustion temperature that facilitates the thermal formation of NO and NO{sub 2}. In contrast, higher temperatures promote complete combustion and reduce the emission of organic volatiles, which are formed mainly from minor fractions of hydrocarbons in synthesis gases. Particulate matter, metallic compounds and other undesired pollutants are usually removed before firing synthesis gases for heat and power production. Therefore, integrated gasification and combined cycle systems are more environmentally friendly than conventional power generation systems.

  4. 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.

  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. 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.

  7. 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.

  8. Combustion of droplets and sprays

    NASA Astrophysics Data System (ADS)

    Eigenbrod, Christian; Sattelmayer, Thomas; Bäßler, Stefan; Mauss, Fabian; Meisl, Jürgen; 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.

  9. 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.

  10. 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.

  11. 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

  12. 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.

  13. 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{? 2} and dilatation overline{? 2}.

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

    DOEpatents

    Janata, Jiri (Richland, WA); McVay, Gary L. (Richland, WA); Peden, Charles H. (West Richland, WA); Exarhos, Gregory J. (Richland, WA)

    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.

  15. Thermal and Chemical Identification of Materials Prior to Combustion Ruby N. Ghosh

    E-print Network

    Ghosh, Ruby N.

    of the pre-combustion "signature" of materials commonly present in buildings. These signatures focusThermal and Chemical Identification of Materials Prior to Combustion Ruby N. Ghosh Department on the gases produced by combustion: CO, CO2 and total hydrocarbons; as well as oxygen, an essential reactant

  16. 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.

  17. 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

  18. Combustion & Health 

    E-print Network

    Hamilton, W.

    2012-01-01

    Winifred J. Hamilton, PhD, SM Clear Air Through Energy Efficiency (CATEE) Galveston, TX October 9?11, 2012 FFCOMBUSTION & HEALTH FFCOMBUSTION: THE THREAT ? Biggest threat to world ecosystems (and to human health) ? Combustion of fossil fuels... and strategies to reduce GHG ? Reduce CO2 emissions by 50% by 2030 ? Reduction in PM2.5 deaths greatly offset costs in all models FFCOMBUSTION & HEALTH FFCOMBUSTION: PM EXPOSURE ? Combustion is source of most concern ? Health considerations ? Size...

  19. 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.

  20. 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.

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

    DOEpatents

    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.

  2. 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.

  3. Department of Chemistry & Biochemistry UCLA Chemistry, Biochemistry & Chemistry Material Science

    E-print Network

    Levine, Alex J.

    Department of Chemistry & Biochemistry UCLA Chemistry, Biochemistry & Chemistry Material Science ...........................................................................................................................................4 Chemistry & Biochemistry Undergraduate Office..............................................................................................6 Majors in Chemistry & Biochemistry

  4. 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.

  5. 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.

  6. NATURAL MARINE HYDROCARBON SEEPAGE

    E-print Network

    Luyendyk, Bruce

    NATURAL MARINE HYDROCARBON SEEPAGE Hydrocarbon seepage from the world's conti- nental shelves in the environment (Hovland et al., 1993; Hornafius et al., 1999). Natural marine hydrocarbon seeps offshore of Coal of gaseous hydrocarbons (Killus and Moore, 1991; Cynar andYayanos, 1992) and residual asphaltic hydro

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

    DOEpatents

    Coleman, Gerald N. (Corby, GB); Kesse, Mary L. (Peoria, IL)

    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.

  8. 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

  9. Nitration of polynuclear aromatic hydrocarbons in coal combustors and exhaust streams. Quarterly report, January 1, 1993--March 31, 1993

    SciTech Connect

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

    1993-06-01

    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 elevates 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 emission 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.

  10. 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.

  11. 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...

  12. CHEMISTRY 521 GRADUATE PHYSICAL CHEMISTRY

    E-print Network

    Findley, Gary L.

    CHEMISTRY 521 GRADUATE PHYSICAL CHEMISTRY Fall Term, 1999 INSTRUCTOR INFORMATION Instructor: Dr in Physical Chemistry. Goals/ Objectives: Introduction to quantum mechanics. Topics covered include (second semester of undergraduate Physical Chemistry) or equivalent. Text: Quantum Chemistry, Ira N

  13. 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.

  14. 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.

  15. 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.

  16. 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.

  17. Combustion Control 

    E-print Network

    Riccardi, R. C.

    1984-01-01

    . There are many opportunities to improve combustion system efficiency. However, there is no single correct way to maximize efficiency. Each technique must be evaluated and compared before a final selection is made. You have a choice of many energy saving systems...

  18. 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.

  19. 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.

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

    NASA Technical Reports Server (NTRS)

    Turner, L Richard; Bogart, Donald

    1949-01-01

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

  1. 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.

  2. 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.

  3. J. Chem. In$ Comput. Sci. 1995,35, 1011-1014 1011 An Algorithm for the Calculation of the Szeged Index of Benzenoid Hydrocarbons

    E-print Network

    Klavzar, Sandi

    Index of Benzenoid Hydrocarbons Ivan Gutman*,+,$and Sandi KlavZarS Institute of Organic Chemistry for the calculation of the Szeged index of benzenoid hydrocarbons, based on the examination of their elementary cuts

  4. Properties of Diazocarbene [CNN] and the Diazomethyl Radical [HCNN] via Ion Chemistry and Spectroscopy

    E-print Network

    Ellison, Barney

    endothermic, rxnH0 ) 1.6 ( 0.7 kcal mol-1 . I. Introduction In an internal combustion engine, air known1 for some time that "thermal" NO is generated in the post- combustion region by the Zeldovich mechanism involving O atoms and N2. In most combustion processes, hydrocarbons are degraded to produce

  5. 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.

  6. 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

  7. 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).

  8. Development of a catalytic combustion system for the MIT Micro Gas Turbine Engine

    E-print Network

    Peck, Jhongwoo, 1976-

    2003-01-01

    As part of the MIT micro-gas turbine engine project, the development of a hydrocarbon-fueled catalytic micro-combustion system is presented. A conventionally-machined catalytic flow reactor was built to simulate the ...

  9. Molecular and isotopic records of the combustion inputs to the environment over the last 250 yrs

    E-print Network

    Lima, Ana Lúcia Cessel de, 1969-

    2004-01-01

    The most ubiquitous source of polycyclic aromatic hydrocarbons (PAHs) to the environment is incomplete combustion. This study generated a high-resolution historical record of pyrogenic PAH emissions since pre-industrial ...

  10. Next generation vapor combustion systems meet new challenges at US terminals

    SciTech Connect

    Lenhart, M.

    1996-11-01

    Vapor combustion systems were recognized in 1983 by the U.S. Environmental Protection Agency (EPA) as the Best Demonstrated Technology (BDT) for bulk gasoline terminal vapor control. These meet the current emission requirements for this industry of 10 mg of hydrocarbon vented per liter of product loaded (10 mg/l). Volatile organic compound (VOC) destruction efficiency requirements range from 95% to greater than 99%. In most terminal applications there is adequate hydrocarbon present in the waste vapor stream such that no supplemental fuel is required to achieve desired combustion efficiencies. More stringent regulations and more petroleum and chemical operations requiring vapor control, however, present new challenges. Among these are auxiliary fuel consumption and the effect of a wider range of chemicals on the combustion system. Next generation hydrocarbon vapor combustion systems address these concerns to achieve high destruction efficiencies with little or no added fuel gas. In addition, these systems can handle a wide range of chemicals and hydrocarbon concentrations.

  11. Hydrocarbon in Catalyst in

    E-print Network

    Ladkin, Peter B.

    Hydrocarbon in Steam in Catalyst in Vent 1 Vent 2 Product out Tank Pressure #12;#12;#12;#12;#12;#12;#12;#12;Hydrocarbon in Steam in Catalyst in Vent 1 Vent 2 Product out Tank Pressure controller Computer operator

  12. Hydrocarbon in Catalyst in

    E-print Network

    Ladkin, Peter B.

    #12;Hydrocarbon in Steam in Catalyst in Vent 1 Vent 2 Product out Tank Pressure controller Computer;#12;Vent 1 Vent 2 Product outHydrocarbon in Steam in Catalyst in light Warning Computer controller Tank

  13. 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...

  14. 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.

  15. Anaerobic Hydrocarbon Degradation in

    E-print Network

    Bruns, Tom

    Anaerobic Hydrocarbon Degradation in Petroleum-Contaminated Harbor Sediments under Sulfate of iron(III) oxide to stimulate in- situ hydrocarbon degradation in anaerobic petroleum- contaminated did not stimulate anaerobic hydrocarbon oxidation. Exposure of the sediment to air [to reoxidize Fe

  16. 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.

  17. 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.

  18. 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.

  19. 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.

  20. 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.

  1. 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.

  2. MESH CONVERGENCE FOR TURBULENT COMBUSTION XIAOXUE GONG, YING XU, VINAY MAHADEO, TULIN KAMAN , JOHAN

    E-print Network

    New York at Stoney Brook, State University of

    for 3D turbulent combustion simulations, based on less expensive 1D and 2D simulations. We verify the prediction by comparison to a 3D finite rate chemistry simulation based on a reduced chemistry model, and we is a methodology to predict mesh requirements for 3D turbulent combustion simulations, based on a less expensive

  3. 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.

  4. 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.

  5. Global impact of fossil fuel combustion on atmospheric NOx Larry W. Horowitz

    E-print Network

    Jacob, Daniel J.

    Global impact of fossil fuel combustion on atmospheric NOx Larry W. Horowitz Advanced Study Program, MA 02138 (email djj@io.harvard.edu) #12;Abstract. Fossil fuel combustion is the largest global source-dimensional model of tropospheric chemistry and transport to study the impact of fossil fuel combustion

  6. Aalborg Universitet Modeling of large-scale oxy-fuel combustion processes

    E-print Network

    Yin, Chungen

    @et.aau.dk Introduction Oxy-fuel combustion is a promising carbon capture and storage technology and has gained increasing-fuel combustion, among which radiative heat transfer and combustion chemistry are two of the fundamental issues of natural gas". Table 1. The three global mechanisms: "WD", "WD_refined", "JL_refined". No Reactions Rate

  7. 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...

  8. 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.

  9. 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.

  10. 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)

  11. 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.

  12. 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.

  13. 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.

  14. 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.

  15. 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.

  16. 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.

  17. 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.

  18. 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.

  19. 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.

  20. Sauter mean diameter influence on combustion parameters in diesel engines

    SciTech Connect

    Danov, S.N.; Gupta, A.K.

    1999-07-01

    A mathematical model of combustion process in a diesel engine has been developed according to the theory of chain reactions for the higher hydrocarbon compounds. The instantaneous rates of fuel vaporization and combustion are defined in terms of the current values of temperature, pressure, concentration of fuel vapors, overall diffusion rate, fuel injection rate, and mean fuel droplet size in terms of the SMD. Numerical experiments have been carried out for investigating the interdependence between various combustion-related parameters. Specifically, the effect of fuel droplet size (in terms of SMD) on the subsequent combustion parameters, such as, pressure, temperature, thermodynamic properties of air/gas mixture, heat transfer, fuel vaporization, combustion rate, current A/F ratio and gas mixture composition. In addition the integral indicator parameters of the engine, such as, mean indicated pressure, peak pressure, compression pressure have been analyzed.

  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. 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.

  3. 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.

  4. Comparison of HAPs and hydrocarbon emissions

    SciTech Connect

    Schreiber, R.J. Jr.; Kellerman, S.J.

    1997-12-31

    The proposed hazardous waste combustor (HWC) maximum achievable control technology (MACT) rule published in the April 19, 1996, Federal Register requested data and information on monitoring carbon monoxide (CO) or hydrocarbon (HC) emissions to control organic hazardous air pollutants (HAPs) emissions. The preamble of the proposed rule further states that monitoring HC emissions can also ensure that sources operate under {open_quotes}good combustion conditions.{close_quotes} As a result, the proposed rule is attempting to monitor organic HAP emissions as well as emissions from incomplete combustion (PICs). Because a large fraction of HAPs are organic compounds, using HC as an indicator for HAP emissions warrants further investigation. However, using HC as an indicator of PICs or good combustion is inconceivable because HC and PIC compound emissions depend on other process variables not related to hazardous waste fuel combustion completeness. The available database of HC, and volatile and semi-volatile organic HAP emissions indicates that HC-HAP correlations are difficult to make and HC-PIC emissions are non-existent. 1 ref., 16 figs.

  5. 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.

  6. 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.

  7. Cuticular hydrocarbons of triatomines.

    PubMed

    Juárez, M P; Fernández, G C

    2007-07-01

    Triatomine insects (Hemiptera) are the vectors of Chagas disease. Their cuticular surface is covered by a thin layer of lipids, mainly hydrocarbons, wax esters, fatty alcohols, and free or esterified fatty acids. These lipids play a major role in preventing a lethal desiccation, altering the absorption of chemicals and microorganism penetration, they also participate in chemical communication events. Lipid components are biosynthetically related, the synthesis of long chain and very long chain fatty acids was first shown in the integument of Triatoma infestans through the concerted action of fatty acid synthases (FAS's) and fatty acyl-CoA elongases. A final decarboxylation step produces the corresponding hydrocarbon. Capillary gas chromatography coupled to mass spectrometry analyses showed that cuticular hydrocarbons of Triatominae comprise saturated straight and methyl-branched chains, from 18 to more than 43 carbon atoms. Odd-chain hydrocarbons, mostly from 27 to 33 carbons, are the major straight chains. Different isomers of mono, di, tri, and tetramethylcomponents, mostly from 29 to 39 atoms in the carbon skeleton, account for the major methyl-branched hydrocarbons. The presence, absence, and relative quantities of these hydrocarbons represent characters for their chemical phenotype, and are useful for differentiating genera, species and populations. In this review, we will discuss the metabolic pathways involved in hydrocarbon formation, and their structure, together with their role in insect survival. We will also review the utility of cuticular hydrocarbon fingerprints in chemotaxonomy. PMID:17046303

  8. Recovering hydrocarbons from hydrocarbon-containing vapors

    DOEpatents

    Mirza, Zia I. (La Verne, CA); Knell, Everett W. (Los Alamitos, CA); Winter, Bruce L. (Danville, CA)

    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.

  9. 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.

  10. Engineering Chlorinated hydrocarbons such as

    E-print Network

    Chemical Engineering Abstract Chlorinated hydrocarbons such as trichloroethylene (TCE) form a class carriers/supports for NZVI particles to address the in situ remediation of chlorinated hydrocarbons. We

  11. 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.

  12. 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

  13. 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 s

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

    DOEpatents

    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.

  15. 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.

  16. VUV Photoionisation of hydrocarbon radicals

    NASA Astrophysics Data System (ADS)

    Alcaraz, C.; Noller, Bastian; Hemberger, Patrick; Fischer, Ingo; Gans, Bérenger; Boyé-Peronne, Séverine; Douin, Stéphane; Gauyacq, Dolorès; Soldi-Lose, Héloïse; Garcia, Gustavo

    2008-09-01

    Hydrocarbon radicals CxHy are constituents of various planetary atmospheres, in particular Titan, as a result of the methane photochemistry induced by the solar radiation. They contribute to the neutral chemistry, but are also important for the ionosphere through their photoionisation leading to their cations CxHy +. These cations are also produced by ion-molecule reactions starting from the reaction of the primary ions CH4 + and CH3 + which are created in the non-dissociative and dissociative photoionisation of CH4. This work aims at caracterizing the VUV photoionisation of small hydrocarbon radicals as a function of photon energy. The objective is to provide laboratory data for modelers on the spectroscopy, the thermochemistry, and the reactivity of the radicals and their cations. The hydrocarbon radicals are much less caracterized than stable molecules since they have to be produced in situ in the laboratory experiment. We have adapted at Orsay [1-3] a pyrolysis source (Figure 1) well suited to produce cold beams of hydrocarbon radicals to our experimental setups. Available now at Orsay, we have two new sources of VUV radiation, complementary in terms of tunability and resolution, that can be used for these studies. The first one is the DESIRS beamline [4] at the new french synchrotron, SOLEIL. The second one is the VUV laser developped at the Centre Laser de l'Université Paris-Sud (CLUPS) [5]. At SOLEIL, a photoelectron-photoion coincidence spectrometer is used to monitor the photoionisation on a large photon energy range. At the CLUPS, a pulsedfield ionisation (PFI-ZEKE) spectrometer allows studies at higher resolution on selected photon energies. The first results obtained with these new setups will be presented. References [1] Fischer, I., Schussler, T., Deyerl, H.J., Elhanine, M. & Alcaraz, C., Photoionization and dissociative photoionization of the allyl radical, C3H5. Int. J. Mass Spectrom., 261 (2-3), 227-233 (2007) [2] Schüßler, T., Roth, W., Gerber, T., Alcaraz, C. & Fischer, I., The vacuum ultraviolet photochemistry of radicals: C3H3 and C2H5. Phys. Chem. Chem. Phys., 7 (5), 819-825 (2005) [3] Schüßler, T., Deyerl, H. J., Dummler, S., Fischer, I., Alcaraz, C. & Elhanine, M., The vacuum ultraviolet photochemistry of the allyl radical investigated using synchrotron radiation J. Chem. Phys., 118 (20), 9077-80 (2003) [4] DESIRS, http://www.synchrotronsoleil. fr/portal/page/portal/Recherche/LignesLumiere/ DESIRS [5] CLUPS, http://www.clups.u-psud.fr/

  17. Sequential cracking of hydrocarbons

    SciTech Connect

    Buddell, R.L.; Oswald, A.M.; Lagarde, W.A.

    1986-07-08

    A process is described for the production of ethylene from the pyrolytic cracking of a hydrocarbon consisting essentially of ethane in a pyrolytic cracking furnace having disposed therein a plurality of elongated serpentine-situated thermal cracking tubes. The process consists of: (a) passing a first hydrocarbon feed material having a carbon atom content of greater than 2 through the plurality of elongated serpentine-situated thermal cracking tubes to crack the first hydrocarbon at cracking conditions effective to produce a first hydrocarbon product and coke, wherein the cracking conditions and throughput of the first hydrocarbon is sufficient to selectively place an amorphous relatively smooth coat of coke on the interior of the plurality of elongated serpentine-situated thermal cracking tubes, wherein the coat of coke is of thickness of about between about 1/16 inch and about 1/8 inch; (b) stopping the passage of the first hydrocarbon feed material through the thermal cracking tubes; and (c) passing a second hydrocarbon consisting essentially of the ethane through the plurality of elongated serpentine-situated thermal cracking tubes having the cost of amorphous relatively smooth coat of coke theron at ethane cracking conditions to crack the ethane to ethylene, which is recovered from the pyrolytic cracking furnace.

  18. 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...

  19. 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

  20. 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.

  1. 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.

  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. 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.

  4. 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.

  5. Phosphorus chemistry on Titan

    NASA Astrophysics Data System (ADS)

    Pasek, Matthew A.; Mousis, Olivier; Lunine, Jonathan I.

    2011-04-01

    Phosphorus is a key element in biology and acts in many critical biochemical functions. The chemistry of phosphorus in the outer Solar System has not yet been quantified, hence the astrobiological relevance of phosphorus to possible life on places like Titan is unconstrained. We evaluate phosphorus chemistry on Titan using a combination of modeling and laboratory techniques. We show that phosphorus chemistry on Titan consists of exogenous phosphates and reduced oxidation state phosphorus compounds, and accretionary phosphine. Accretionary phosphorus is shown to be delivered primarily by rocks and ices in the saturnian sub-nebula, and heating during accretion concentrates phosphine in the crust of Titan. The exogenous compounds are capable of performing biologically-relevant chemistry, however they are active only in environments with substantial liquid water, either pure, or as a mixture with NH 3 or nitrile compounds. In contrast, we show that phosphine is soluble in methane and ethane on Titan's surface, hence phosphine likely participates in the hydrocarbon cycle on Titan. The lack of mobility of phosphate compounds on Titan's surface suggests that if life is present on Titan, it must have a fundamentally different biochemistry than does terrestrial life.

  6. Maintain Combustion Systems 

    E-print Network

    Fletcher, R. J.

    1979-01-01

    Energy is consumed, and wasted, in liberal amounts in the combustion processes which supply heat energy to boilers and process heaters. Close attention to combustion systems can be extremely beneficial: Optimum air to fuel ratios, i.e., maintaining...

  7. 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)

  8. 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…

  9. 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 ...

  10. 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)

  11. Chemistry Notes.

    ERIC Educational Resources Information Center

    School Science Review, 1978

    1978-01-01

    Describes experiments, demonstrations, activities and ideas relating to various fields of chemistry to be used in chemistry courses of secondary schools. Three experiments concerning differential thermal analysis are among these notes presented. (HM)

  12. 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.

  13. Biochemistry chemistry &

    E-print Network

    Morgan, Stephen L.

    Biochemistry chemistry & A n A ly t i c A l B i o l o g i c A l i n o r g A n i c o r g A n i c P h of South Carolina..........................1 Department of Chemistry and Biochemistry....2 The Graduate Program in Chemistry and Biochemistry.........................................................3 Ph

  14. Hydrocarbon geoscience research strategy

    SciTech Connect

    Not Available

    1990-04-01

    This document outlines a strategy for oil and gas related research focused on optimizing the economic producibility of the Nation's resources. The Hydrocarbon Geoscience Strategy was developed by the Hydrocarbon Geoscience Research Coordinating Committee of the Department of Energy (DOE). This strategy forms the basis for the development of DOE Fossil Energy's Oil Research Program Implementation Plan and Natural Gas Program Implementation Plan. 24 refs., 5 figs., 3 tabs.

  15. Membrane separation of hydrocarbons

    DOEpatents

    Funk, Edward W. (Highland Park, IL); Kulkarni, Sudhir S. (Hoffman Estates, IL); Chang, Y. Alice (Des Plaines, IL)

    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.

  16. 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.

  17. Supercritical Burning of Liquid Oxygen (LOX) Droplet with Detailed Chemistry

    E-print Network

    Sidorov, Nikita

    Supercritical Burning of Liquid Oxygen (LOX) Droplet with Detailed Chemistry J. DAOU,* P of the supercritical combustion of a liquid oxygen (LOX) droplet in a stagnant environment of hot hydrogen is carried understanding in this subject area for the de- velopment of high-pressure combustion de- vices such as liquid

  18. 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.

  19. 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.

  20. 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.

  1. 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.

  2. 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.

  3. 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.

  4. 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.

  5. The Characterization of Two-Stage Ignition Effects on Late Injection Low Temperature Combustion Using Biodiesel and Biodiesel Blends 

    E-print Network

    Tompkins, Brandon T

    2015-08-12

    THE CHARACTERIZATION OF TWO-STAGE IGNITION EFFECTS ON LATE INJECTION LOW TEMPERATURE COMBUSTION USING BIODIESEL AND BIODIESEL BLENDS A Dissertation by BRANDON TIRRELL TOMPKINS Submitted to the Office of Graduate and Professional Studies of Texas A&M University...: Mechanical Engineering Copyright 2015 Brandon Tirrell Tompkins ii ABSTRACT The first stage of ignition in saturated hydrocarbon fuels (in diesel combustion) is characterized as low temperature heat release (LTHR) or cool flame combustion. LTHR takes place...

  6. 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.

  7. Monitoring of hydrocarbon emissions in a petroleum refinery.

    PubMed

    Rao, Padma; Ankam, S; Ansari, M; Gavane, A G; Kumar, A; Pandit, V I; Nema, P

    2005-09-01

    In a petroleum refinery the hydrocarbon emissions which are mostly fugitive in nature are emitted from process, offsites and periodic accidental releases such as: materials storage & handling, process, equipment leaks, solvent evaporation, combustion sources, waste treatment etc. In India, the monitoring of such emissions in a refinery are limited as also the standards are not set for its limit in ambient air. Hence there is an urgent need for generating a database for such emissions. Recently in India, MoEF/CPCB has set some guidelines under CREP rules for monitoring such emissions in a refinery. A detailed monitoring of the hydrocarbon emissions from different sources in a typical 10.5 MMTPA Indian refinery is undertaken during 1999-2001 and the results are presented. It is observed that the storage tank emissions alongwith process leaks form the major contributor towards fugitive hydrocarbon emissions. PMID:16160782

  8. 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.

  9. 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.

  10. 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.

  11. 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.

  12. 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.

  13. 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.

  14. 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.

  15. 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.

  16. 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.

  17. 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.

  18. 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

  19. Development of an aeroderivative gas turbine DLE combustion system

    SciTech Connect

    Leonard, G.; Stegmaier, J. )

    1993-05-01

    GE embarked on the detailed design of a new gas-fired, premixed combustion system for its family of aeroderivative gas turbines. This new lean premixed system, sometimes referred to as a dry low-NO[sub x], or a dry low-emissions combustion system, will reduce the emissions of NO[sub x] to less than 25 ppm. The emissions of other pollutants, such as CO, unburned hydrocarbons (UHC), and particulates are also expected to be extremely low. The effects of engine operating conditions and combustor film cooling on emissions and lean flame stability were also studied in some detail. 4 figs.

  20. 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.

  1. 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)

  2. Superconductivity in aromatic hydrocarbons

    NASA Astrophysics Data System (ADS)

    Kubozono, Yoshihiro; Goto, Hidenori; Jabuchi, Taihei; Yokoya, Takayoshi; Kambe, Takashi; Sakai, Yusuke; Izumi, Masanari; Zheng, Lu; Hamao, Shino; Nguyen, Huyen L. T.; Sakata, Masafumi; Kagayama, Tomoko; Shimizu, Katsuya

    2015-07-01

    'Aromatic hydrocarbon' implies an organic molecule that satisfies the (4n + 2) ?-electron rule and consists of benzene rings. Doping solid aromatic hydrocarbons with metals provides the superconductivity. The first discovery of such superconductivity was made for K-doped picene (Kxpicene, five benzene rings). Its superconducting transition temperatures (Tc's) were 7 and 18 K. Recently, we found a new superconducting Kxpicene phase with a Tc as high as 14 K, so we now know that Kxpicene possesses multiple superconducting phases. Besides Kxpicene, we discovered new superconductors such as Rbxpicene and Caxpicene. A most serious problem is that the shielding fraction is ?15% for Kxpicene and Rbxpicene, and it is often ?1% for other superconductors. Such low shielding fractions have made it difficult to determine the crystal structures of superconducting phases. Nevertheless, many research groups have expended a great deal of effort to make high quality hydrocarbon superconductors in the five years since the discovery of hydrocarbon superconductivity. At the present stage, superconductivity is observed in certain metal-doped aromatic hydrocarbons (picene, phenanthrene and dibenzopentacene), but the shielding fraction remains stubbornly low. The highest priority research area is to prepare aromatic superconductors with a high superconducting volume-fraction. Despite these difficulties, aromatic superconductivity is still a core research target and presents interesting and potentially breakthrough challenges, such as the positive pressure dependence of Tc that is clearly observed in some phases of aromatic hydrocarbon superconductors, suggesting behavior not explained by the standard BCS picture of superconductivity. In this article, we describe the present status of this research field, and discuss its future prospects.

  3. Computer Chemistry

    NASA Astrophysics Data System (ADS)

    Ovchinnikov, Aleksandr A.; Boldyrev, Alexander I.

    1986-04-01

    The state, problems, and prospects of a new branch of chemistry, computer chemistry, associated with the application of computers to the solution of chemical problems is described. The application of computers in quantum chemistry, in solution theory, in the search for new medicinal drugs, in the identification of chemical compounds from spectroscopic data, and in the development of the syntheses of new chemical compounds is examined. The level of the problems solved in the above fields of computer chemistry is demonstrated for specific examples. The bibliography includes 64 references.

  4. 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)

  5. 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.

  6. DOES FOSSIL FUEL COMBUSTION LEAD TO GLOBAL WARMING? Stephen E. Schwartz

    E-print Network

    Schwartz, Stephen E.

    DOES FOSSIL FUEL COMBUSTION LEAD TO GLOBAL WARMING? Stephen E. Schwartz Environmental Chemistry of the United States Department of Energy, under Contract No. DE-AC02-76CH00016. #12;Schwartz--Fossil Fuel--Fri, Dec 1, 2006 DOES FOSSIL FUEL COMBUSTION LEAD TO GLOBAL WARMING? Stephen E. Schwartz Environmental

  7. Combustion and Flame 143 (2005) 1126 www.elsevier.com/locate/combustflame

    E-print Network

    Pitsch, Heinz

    2005-01-01

    and application of a comprehensive soot model for 3D CFD reacting flow studies in a diesel engine Sangjin Hong-heptane for ignition and combustion, and links acetylene chemistry to the soot nucleation process. The soot modelCombustion and Flame 143 (2005) 11­26 www.elsevier.com/locate/combustflame Development

  8. 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.

  9. Hydrocarbon Reservoir Parameter Estimation Using

    E-print Network

    van Vliet, Lucas J.

    Hydrocarbon Reservoir Parameter Estimation Using Production Data and Time-Lapse Seismic #12;#12;Hydrocarbon Reservoir Parameter Estimation Using Production Data and Time-Lapse Seismic PROEFSCHRIFT ter

  10. Hydrocarbon contaminated soils and groundwater

    SciTech Connect

    Kostecki, P.T.

    1992-01-01

    This book contains the proceedings of hydrocarbon contaminated soils and groundwater. Topics covered include: Perspectives on hydrocarbon contamination; regulations; environmental fate and modeling; sampling and site assessment; remediation assessment and design; and remediation case studies.

  11. 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.

  12. 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.

  13. 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.

  14. 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).

  15. 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…

  16. Raman spectra of methane, ethylene, ethane, dimethyl ether, formaldehyde and propane for combustion applications

    NASA Astrophysics Data System (ADS)

    Magnotti, G.; KC, U.; Varghese, P. L.; Barlow, R. S.

    2015-09-01

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

  17. Hydrocarbon options emerge

    SciTech Connect

    Fairley, P.

    1995-11-01

    Europe stole the scene at last week`s International Chlorofluorocarbon (CFC) and Halon Alternatives Conference in Washington as attendees learned more about an accelerating shift to low-cost hydrocarbon refrigerants by European equipment manufacturers. Udo Wenning, representing German refrigerator market leader Bosch-Siemens, told the conference that hydrocarbons-isobutane as refrigerant and cyclopentane to blow the insulating foam-are now used in 90% of German production. Wenning says that in all performance parameters, hydrocarbons match the hydrochlorofluorocarbon (HCFC) and hydrofluorocarbon (HFC) replacements favored in the U.S. and Japan and that, unlike HCFCs and HFCs they have low global warming potential. Their Achille`s heel is flammability, Wenning says. American equipment manufacturers aiming to sell a new generation of equipment designed for the new HFC refrigerants sought to amplify concern over flammability at the conference. {open_quotes}In a society as litigious as ours, we do not see a future for flammable refrigerants,{close_quotes} says a representative of air conditioner manufacturer Carrier. Hydrocarbon supporters such as Greenpeace say the risks are mananageable.

  18. Zeroing in on hydrocarbons

    SciTech Connect

    Roest, I.P.B. van der; Brasser, D.J.S.; Wagebaert, A.P.J.; Stam, P.H.

    1997-05-01

    The increasing costs of remediating contaminated sites has stimulated research for cost-reducing techniques in soil investigation and cleanup techniques. MAP Environmental Research has developed a technology using ground penetrating radar in combination with in house developed software to locate and define the extent of hydrocarbon contamination. This article discusses the new technology. 2 figs.

  19. Optrode for sensing hydrocarbons

    DOEpatents

    Miller, H.; Milanovich, F.P.; Hirschfeld, T.B.; Miller, F.S.

    1988-09-13

    A two-phase system employing the Fujiwara reaction is provided for the fluorometric detection of halogenated hydrocarbons. A fiber optic is utilized to illuminate a column of pyridine trapped in a capillary tube coaxially attached at one end to the illuminating end of the fiber optic. A strongly alkaline condition necessary for the reaction is maintained by providing a reservoir of alkali in contact with the column of pyridine, the surface of contact being adjacent to the illuminating end of the fiber optic. A semipermeable membrane caps the other end of the capillary tube, the membrane being preferentially permeable to the halogenated hydrocarbon and but preferentially impermeable to water and pyridine. As the halogenated hydrocarbon diffuses through the membrane and into the column of pyridine, fluorescent reaction products are formed. Light propagated by the fiber optic from a light source, excites the fluorescent products. Light from the fluorescence emission is also collected by the same fiber optic and transmitted to a detector. The intensity of the fluorescence gives a measure of the concentration of the halogenated hydrocarbons. 5 figs.

  20. Optrode for sensing hydrocarbons

    DOEpatents

    Miller, H.; Milanovich, F.P.; Hirschfeld, T.B.; Miller, F.S.

    1987-05-19

    A two-phase system employing the Fujiwara reaction is provided for the fluorometric detection of halogenated hydrocarbons. A fiber optic is utilized to illuminate a column of pyridine trapped in a capillary tube coaxially attached at one end to the illuminating end of the fiber optic. A strongly alkaline condition necessary for the reaction is maintained by providing a reservoir of alkali in contact with the column of pyridine, the surface of contact being adjacent to the illuminating end of the fiber optic. A semipermeable membrane caps the other end of the capillary tube, the membrane being preferentially permeable to the halogenated hydrocarbon but preferentially impermeable to water and pyridine. As the halogenated hydrocarbon diffuses through the membrane and into the column of pyridine, fluorescent reaction products are formed. Light propagated by the fiber optic from a light source, excites the fluorescent products. Light from the fluorescence emission is also collected by the same fiber optic and transmitted to a detector. The intensity of the fluorescence gives a measure of the concentration of the halogenated hydrocarbons. 6 figs.

  1. Optrode for sensing hydrocarbons

    DOEpatents

    Miller, Holly (Bethel Island, CA); Milanovich, Fred P. (Lafayette, CA); Hirschfeld, Tomas B. (Livermore, CA); Miller, Fred S. (Bethel Island, CA)

    1988-01-01

    A two-phase system employing the Fujiwara reaction is provided for the fluorometric detection of halogenated hydrocarbons. A fiber optic is utilized to illuminate a column of pyridine trapped in a capillary tube coaxially attached at one end to the illuminating end of the fiber optic. A strongly alkaline condition necessary for the reaction is maintained by providing a reservoir of alkali in contact with the column of pyridine, the surface of contact being adjacent to the illuminating end of the fiber optic. A semipermeable membrane caps the other end of the capillary tube, the membrane being preferentially permeable to the halogenated hydrocarbon and but preferentially impermeable to water and pyridine. As the halogenated hydrocarbon diffuses through the membrane and into the column of pyridine, fluorescent reaction products are formed. Light propagated by the fiber optic from a light source, excites the fluorescent products. Light from the fluorescence emission is also collected by the same fiber optic and transmitted to a detector. The intensity of the fluorescence gives a measure of the concentration of the halogenated hydrocarbons.

  2. Optrode for sensing hydrocarbons

    DOEpatents

    Miller, Holly (Bethel Island, CA); Milanovich, Fred P. (Lafayette, CA); Hirschfeld, Tomas B. (Livermore, CA); Miller, Fred S. (Bethel Island, CA)

    1987-01-01

    A two-phase system employing the Fujiwara reaction is provided for the fluorometric detection of halogenated hydrocarbons. A fiber optic is utilized to illuminate a column of pyridine trapped in a capillary tube coaxially attached at one end to the illuminating end of the fiber optic. A strongly alkaline condition necessary for the reaction is maintained by providing a reservoir of alkali in contact with the column of pyridine, the surface of contact being adjacent to the illuminating end of the fiber optic. A semipermeable membrane caps the other end of the capillary tube, the membrane being preferentially permeable to the halogenated hydrocarbon and but preferentially impermeable to water and pyridine. As the halogenated hydrocarbon diffuses through the membrane and into the column of pyridine, fluorescent reaction products are formed. Light propagated by the fiber optic from a light source, excites the fluorescent products. Light from the fluorescence emission is also collected by the same fiber optic and transmitted to a detector. The intensity of the fluorescence gives a measure of the concentration of the halogenated hydrocarbons.

  3. Molten salt pyrolysis of latex. [synthetic hydrocarbon fuel production using the Guayule shrub

    NASA Technical Reports Server (NTRS)

    Bauman, A. J. (inventor)

    1981-01-01

    Latex-rich plants such as Guayule or extracts thereof are pyrolyzed in an inert nitrogen atmosphere inorganic salt melts such as a LiCl/KCl eutectic at a temperature of about 500 C. The yield is over 60% of a highly aromatic, combustible hydrocarbon oil suitable for use as a synthetic liquid fuel.

  4. Fuel-rich catalytic combustion of a high density fuel

    NASA Technical Reports Server (NTRS)

    Brabbs, Theodore A.; Merritt, Sylvia A.

    1993-01-01

    Fuel-rich catalytic combustion (ER is greater than 4) of the high density fuel exo-tetrahydrocyclopentadiene (JP-10) was studied over the equivalence ratio range 5.0 to 7.6, which yielded combustion temperatures of 1220 to 1120 K. The process produced soot-free gaseous products similar to those obtained with iso-octane and jet-A in previous studies. The measured combustion temperature agreed well with that calculated assuming soot was not a combustion product. The process raised the effective hydrogen/carbon (H/C) ratio from 1.6 to over 2.0, thus significantly improving the combustion properties of the fuel. At an equivalence ratio near 5.0, about 80 percent of the initial fuel carbon was in light gaseous products and about 20 percent in larger condensable molecules. Fuel-rich catalytic combustion has now been studied for three fuels with H/C ratios of 2.25 (iso-octane), 1.92 (jet-A), and 1.6 (JP-10). A comparison of the product distribution of these fuels shows that, in general, the measured concentrations of the combustion products were monotonic functions of the H/C ratio with the exception of hydrogen and ethylene. In these cases, data for JP-10 fell between iso-octane and jet-A rather than beyond jet-A. It is suggested that the ring cross-linking structure of JP-10 may be responsible for this behavior. All the fuels studied showed that the largest amounts of small hydrocarbon molecules and the smallest amounts of large condensable molecules occurred at the lower equivalence ratios. This corresponds to the highest combustion temperatures used in these studies. Although higher temperatures may improve this mix, the temperature is limited. First, the life of the present catalyst would be greatly shortened when operated at temperatures of 1300 K or greater. Second, fuel-rich catalytic combustion does not produce soot because the combustion temperatures used in the experiments were well below the threshold temperature (1350 K) for the formation of soot. Increasing the temperature above this value would remove the soot-free nature of the process. Since all the fuels studied show a similar breakdown of the primary fuel into smaller molecular combustion products, this technique can be applied to all hydrocarbon fuels.

  5. Heavy hydrocarbon main injector technology program

    NASA Technical Reports Server (NTRS)

    Arbit, H. A.; Tuegel, L. M.; Dodd, F. E.

    1991-01-01

    The Heavy Hydrocarbon Main Injector Program was an analytical, design, and test program to demonstrate an injection concept applicable to an Isolated Combustion Compartment of a full-scale, high pressure, LOX/RP-1 engine. Several injector patterns were tested in a 3.4-in. combustor. Based on these results, features of the most promising injector design were incorporated into a 5.7-in. injector which was then hot-fire tested. In turn, a preliminary design of a 5-compartment 2D combustor was based on this pattern. Also the additional subscale injector testing and analysis was performed with an emphasis on improving analytical techniques and acoustic cavity design methodology. Several of the existing 3.5-in. diameter injectors were hot-fire tested with and without acoustic cavities for spontaneous and dynamic stability characteristics.

  6. Hydrocarbonization research: completion report

    SciTech Connect

    Youngblood, E.L.; Cochran, H.D. Jr.; Westmoreland, P.R.; Brown, C.H. Jr.; Oswald, G.E.; Barker, R.E.

    1981-01-01

    Hydrocarbonization is a relatively simple process used for producing oil, substitute natural gas, and char by heating coal under a hydrogen-rich atmosphere. This report describes studies that were performed in a bench-scale hydrocarbonization system at Oak Ridge National Laboratory (ORNL) during the period 1975 to 1978. The results of mock-up studies, coal metering valve and flowmeter development, and supporting work in an atmospheric hydrocarbonization system are also described. Oil, gas, and char yields were determined by hydrocarbonization of coal in a 0.1-m-diam fluidized-bed reactor operated at a pressure of 2170 kPa and at temperatures ranging from 694 to 854 K. The nominal coal feed rate was 4.5 kg/h. Wyodak subbituminous coal was used for most of the experiments. A maximum oil yield of approx. 21% based on moisture- and ash-free (maf) coal was achieved in the temperature range of 810 to 840 K. Recirculating fluidized-bed, uniformly fluidized-bed, and rapid hydropyrolysis reactors were used. A series of operability tests was made with Illinois No. 6 coal to determine whether caking coal could be processed in the recirculating fluidized-bed reactor. These tests were generally unsuccessful because of agglomeration and caking problems; however, these problems were eliminated by the use of chemically pretreated coal. Hydrocarbonization experiments were carried out with Illinois No. 6 coal that had been pretreated with CaO-NaOH, Na/sub 2/CO/sub 3/, and CaO-Na/sub 2/CO/sub 3/. Oil yields of 14, 24, and 21%, respectively, were obtained from the runs with treated coal. Gas and char yield data and the composition of the oil, gas, and char products are presented.

  7. Mantle hydrocarbons: Abiotic or biotic?

    SciTech Connect

    Sugisaki, Ryuichi; Mimura, Koichi

    1994-06-01

    Analyses of 227 rocks from fifty localities throughout the world showed that mantle derived rocks such as tectonized peridotites in ophiolite sequences (tectonites) and peridotite xenoliths in alkali basalts contain heavier hydrocarbons (n-alkanes), whereas igneous rocks produced by magmas such as gabbro and granite lack them. The occurrence of hydrocarbons indicates that they were not derived either from laboratory contamination or from field contamination; these compounds found in the mantle-derived rocks are called here {open_quotes}mantle hydrocarbons.{close_quotes} The existence of hydrocarbons correlates with petrogenesis. For example, peridotite cumulates produced by magmatic differentiation lack hydrocarbons whereas peridotite xenoliths derived from the mantle contain them. Gas chromatographic-mass spectrometric records of the mantle hydrocarbons resemble those of aliphatics in meteorites and in petroleum. Features of the hydrocarbons are that (a) the mantle hydrocarbons reside mainly along grain boundaries and in fluid inclusions of minerals; (b) heavier isoprenoids such as pristane and phytane are present; and (c) {delta}{sup 13}C of the mantle hydrocarbons is uniform (about {minus}27{per_thousand}). Possible origins for the mantle hydrocarbons are as follows. (1) They were inorganically synthesized by Fischer-Tropsch type reaction in the mantle. (2) They were delivered by meteorites and comets to the early Earth. (3) They were recycled by subduction. The mantle hydrocarbons in the cases of (1) and (2) are abiogenic and those in (3) are mainly biogenic. It appears that hydrocarbons may survive high pressures and temperatures in the mantle, but they are decomposed into lighter hydrocarbon gases such as CH{sub 4} at lower pressures when magmas intrude into the crust; consequently, peridotite cumulates do not contain heavier hydrocarbons but possess hydrocarbon gases up to C{sub 4}H{sub 10}. 76 refs., 5 figs., 3 tabs.

  8. Mantle hydrocarbons: abiotic or biotic?

    PubMed

    Sugisaki, R; Mimura, K

    1994-06-01

    Analyses of 227 rocks from fifty localities throughout the world showed that mantle derived rocks such as tectonized peridotites in ophiolite sequences (tectonites) arid peridotite xenoliths in alkali basalts contain heavier hydrocarbons (n-alkanes), whereas igneous rocks produced by magmas such as gabbro arid granite lack them. The occurrence of hydrocarbons indicates that they were not derived either from laboratory contamination or from held contamination; these compounds found in the mantle-derived rocks are called here "mantle hydrocarbons." The existence of hydrocarbons correlates with petrogenesis. For example, peridotite cumulates produced by magmatic differentiation lack hydrocarbons whereas peridotite xenoliths derived from the mantle contain them. Gas chromatographic-mass spectrometric records of the mantle hydrocarbons resemble those of aliphatics in meteorites and in petroleum. Features of the hydrocarbons are that (a) the mantle hydrocarbons reside mainly along grain boundaries and in fluid inclusions of minerals; (b) heavier isoprenoids such as pristane and phytane are present; and (c) delta 13C of the mantle hydrocarbons is uniform (about -27%). Possible origins for the mantle hydrocarbons are as follows. (1) They were in organically synthesized by Fischer-Tropsch type reaction in the mantle. (2) They were delivered by meteorites and comets to the early Earth. (3) They were recycled by subduction. The mantle hydrocarbons in the cases of (1) and (2) are abiogenic and those in (3) are mainly biogenic. It appears that hydrocarbons may survive high pressures and temperatures in the mantle, but they are decomposed into lighter hydrocarbon gases such as CH4 at lower pressures when magmas intrude into the crust; consequently, peridotite cumulates do not contain heavier hydrocarbons but possess hydrocarbon gases up to C4H10. PMID:11541663

  9. Bacterial sources for phenylalkane hydrocarbons

    SciTech Connect

    Ellis, L.; Winans, R.E.; Langworthy, T.

    1996-10-01

    The presence of phenylalkane hydrocarbons in geochemical samples has been the source of much controversy. Although an anthropogenic input from detergent sources always appears likely, the distribution of phenylalkane hydrocarbons in some cases far exceeding that attributed to detergent input has led to a reappraisal of this view. Indeed, recent work involving analysis of the lipid hydrocarbon extracts from extant Thermoplasma bacteria has revealed the presence of phenylalkane hydrocarbons. The presence of phenylalkane hydrocarbons in sedimentary organic matter may therefore represent potential biological markers for thermophilic bacteria.

  10. Nanoscience and chemistry Nanoscience, Nanotechnology, and Chemistry**

    E-print Network

    Falvo, Michael

    Nanoscience and chemistry Nanoscience, Nanotechnology, and Chemistry** George M. Whitesides* Keywords: · chemistry · devices · nanoscience · nanotechnology What is Nanoscience? "Nanoscience- est dimensions ranging from a few nanometers to less than 100 nanometers.[1­3] In chemistry

  11. Fifteenth combustion research conference

    SciTech Connect

    1993-06-01

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

  12. Coal Combustion Science

    SciTech Connect

    Hardesty, D.R.; Fletcher, T.H.; Hurt, R.H.; Baxter, L.L. )

    1991-08-01

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

  13. 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.

  14. 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.

  15. GOM Deepwater Horizon Oil Spill: A Time Series Analysis of Variations in Spilled Hydrocarbons

    NASA Astrophysics Data System (ADS)

    Palomo, C. M.; Yan, B.

    2013-12-01

    An estimated amount of 210 million gallons of crude oil was released into the Gulf of Mexico (GOM) from April 20th to July 15th 2010 during the Deepwater Horizon oil rig explosion. The spill caused a tremendous financial, ecological, environmental and health impact and continues to affect the GOM today. Variations in hydrocarbons including alkanes, hopanes and poly-cyclic aromatic hydrocarbons (PAHs) can be analyzed to better understand the oil spill and assist in oil source identification. Twenty-one sediment samples*, two tar ball samples and one surface water oil sample were obtained from distinct locations in the GOM and within varying time frames from May to December 2010. Each sample was extracted through the ASE 200 solvent extractor, concentrated down under nitrogen gas, purified through an alumina column, concentrated down again with nitrogen gas and analyzed via GC X GC-TOF MS. Forty-one different hydrocarbons were quantified in each sample. Various hydrocarbon 'fingerprints,' such as parental :alkylate PAH ratios, high molecular weight PAHs: low molecular weight alkane ratios, and carbon preference index were calculated. The initial objective of this project was to identify the relative hydrocarbon contributions of petrogenic sources and combustion sources. Based on the calculated ratios, it is evident that the sediment core taken in October of 2010 was greatly affected by combustion sources. Following the first month of the spill, oil in the gulf was burned in attempts to contain the spill. Combustion related sources have quicker sedimentation rates, and hydrocarbons from a combustion source essentially move into deeper depths quicker than those from a petrogenic source, as was observed in analyses of the October 2010 sediment. *Of the twenty-one sediment samples prepared, nine were quantified for this project.

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

    NASA Technical Reports Server (NTRS)

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

    2006-01-01

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

  17. Soot Formation in Hydrocarbon/Air Laminar Jet Diffusion Flames

    NASA Technical Reports Server (NTRS)

    Sunderland, P. B.; Faeth, G. M.

    1994-01-01

    Soot processes within hydrocarbon/air diffusion flames are important because they affect the durability and performance of propulsion systems, the hazards of unwanted fires, the pollutant and particulate emissions from combustion processes, and the potential for developing computational combustion. Motivated by these observations, this investigation involved an experimental study of the structure and soot properties of round laminar jet diffusion flames, seeking an improved understanding of soot formation (growth and nucleation) within diffusion flames. The present study extends earlier work in this laboratory concerning laminar smoke points (l) and soot formation in acetylene/air laminar jet diffusion flames (2), emphasizing soot formation in hydrocarbon/air laminar jet diffusion flames for fuels other than acetylene. In the flame system, acetylene is the dominant gas species in the soot formation region and both nucleation and growth were successfully attributed to first-order reactions of acetylene, with nucleation exhibiting an activation energy of 32 kcal/gmol while growth involved negligible activation energy and a collision efficiency of O.53%. In addition, soot growth in the acetylene diffusion flames was comparable to new soot in premixed flame (which also has been attributed to first-order acetylene reactions). In view of this status, a major issue is the nature of soot formation processes in diffusion flame involving hydrocarbon fuels other than acetylene. In particular, information is needed about th dominant gas species in the soot formation region and the impact of gas species other than acetylene on soot nucleation and growth.

  18. Membrane separation of hydrocarbons

    DOEpatents

    Chang, Y. Alice (Des Plaines, IL); Kulkarni, Sudhir S. (Hoffman Estates, IL); Funk, Edward W. (Highland Park, IL)

    1986-01-01

    Mixtures of heavy oils and light hydrocarbons may be separated by passing the mixture through a polymeric membrane. The membrane which is utilized to effect the separation comprises a polymer which is capable of maintaining its integrity in the presence of hydrocarbon compounds and which has been modified by being subjected to the action of a sulfonating agent. Sulfonating agents which may be employed will include fuming sulfuric acid, chlorosulfonic acid, sulfur trioxide, etc., the surface or bulk modified polymer will contain a degree of sulfonation ranging from about 15 to about 50%. The separation process is effected at temperatures ranging from about ambient to about 100.degree. C. and pressures ranging from about 50 to about 1000 psig.

  19. Urine chemistry

    MedlinePLUS

    Chemistry - urine ... For this test, a clean catch (midstream) urine sample is needed. Some tests require that you collect all of your urine for 24 hours. Your doctor will order certain tests, which ...

  20. 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)

  1. 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)

  2. 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)

  3. 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)

  4. 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)

  5. 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)

  6. Liquid Oxygen Cooling of Hydrocarbon Fueled Rocket Thrust Chambers

    NASA Technical Reports Server (NTRS)

    Armstrong, Elizabeth S.

    1989-01-01

    Rocket engines using liquid oxygen (LOX) and hydrocarbon fuel as the propellants are being given serious consideration for future launch vehicle propulsion. Normally, the fuel is used to regeneratively cool the combustion chamber. However, hydrocarbons such as RP-1 are limited in their cooling capability. Another possibility for the coolant is the liquid oxygen. Combustion chambers previously tested with LOX and RP-1 as propellants and LOX as the collant demonstrated the feasibility of using liquid oxygen as a coolant up to a chamber pressure of 13.8 MPa (2000 psia). However, there was concern as to the effect on the integrity of the chamber liner if oxygen leaks into the combustion zone through fatigue cracks that may develop between the cooling passages and the hot gas side wall. In order to study this effect, chambers were fabricated with slots machined upstream of the throat between the cooling passage wall and the hot gas side wall to simulate cracks. The chambers were tested at a nominal chamber pressure of 8.6 MPa (1247 psia) over a range of mixture ratios from 1.9 to 3.1 using liquid oxygen as the coolant. The results of the testing showed that the leaking LOX did not have a deleterious effect on the chambers in the region of the slots. However, there was unexplained melting in the throat region of both chambers, but not in line with the slots.

  7. Liquid oxygen cooling of hydrocarbon fueled rocket thrust chambers

    NASA Technical Reports Server (NTRS)

    Armstrong, Elizabeth S.

    1989-01-01

    Rocket engines using liquid oxygen (LOX) and hydrocarbon fuel as the propellants are being given serious consideration for future launch vehicle propulsion. Normally, the fuel is used to regeneratively cool the combustion chamber. However, hydrocarbons such as RP-1 are limited in their cooling capability. Another possibility for the coolant is the liquid oxygen. Combustion chambers previously tested with LOX and RP-1 as propellants and LOX as the coolant demonstrated the feasibility of using liquid oxygen as a coolant up to a chamber pressure of 13.8 MPa (2000 psia). However, there was concern as to the effect on the integrity of the chamber liner if oxygen leaks into the combustion zone through fatigue cracks that may develop between the cooling passages and the hot gas side wall. In order to study this effect, chambers were fabricated with slots machined upstream of the throat between the cooling passage wall and the hot gas side wall to simulate cracks. The chambers were tested at a nominal chamber pressure of 8.6 MPa (1247 psia) over a range of mixture ratios from 1.9 to 3.1 using liquid oxygen as the coolant. The results of the testing showed that the leaking LOX did not have a deleterious effect on the chambers in the region of the slots. However, there was unexplained melting in the throat region of both chambers, but not in line with the slots.

  8. Rocket combustion chamber life-enhancing design concepts

    NASA Technical Reports Server (NTRS)

    Quentmeyer, Richard J.

    1990-01-01

    NASA continues to pursue technologies which can lead to an increase in life and reduce the costs of fabrication of the Space Shuttle Main Engine. The joint NASA/Air Force Advanced Launch System Program has set its prime objectives to be high reliability and low cost for their new advanced booster engine. In order to meet these objectives, NASA will utilize the results of several ongoing programs to provide the required technologies. An overview is presented of those programs which address life enhancing design concepts for the combustion chamber. Seven different design concepts, which reduce the thermal strain and/or increase the material strength of the combustion chamber liner wall are discussed. Subscale rocket test results are presented, where available, for life enhancing design concepts. Two techniques for reducing chamber fabrication costs are discussed, as well as issues relating to hydrocarbon fuels/combustion chamber liner materials compatibility.

  9. Laser ignition in internal-combustion engines: Sparkless initiation

    NASA Astrophysics Data System (ADS)

    Andronov, A. A.; Gurin, V. A.; Marugin, A. V.; Savikin, A. P.; Svyatoshenko, D. E.; Tukhomirov, A. N.; Utkin, Yu. S.; Khimich, V. L.

    2014-08-01

    Laser ignition has been implemented in a single-cylinder internal combustion engine fueled by gasoline. Indicator diagrams (cylinder pressure versus crank angle) were obtained for laser ignition with nano- and microsecond pulses of an Nd:YAG laser. The maximum power of microsecond pulses was below critical for spark initiation, while the radiation wavelength was outside the spectral range of optical absorption by hydrocarbon fuels. Apparently, the ignition starts due to radiation absorption by the oil residues or carbon deposit in the combustion chamber, so that the ability of engine to operate is retained. This initiation of spark-free ignition shows the possibility of using compact semiconductor quantum-cascade lasers operating at wavelengths of about 3.4 ?m (for which the optical absorption by fuel mixtures is high) in ignition systems of internal combustion engines.

  10. LABORATORY AND COMPUTATIONAL INVESTIGATIONS OF THE ATMOSPHERIC CHEMISTRY OF KEY OXIDATION PRODUCTS CONTROLLING TROPOSPHERIC OZONE FORMATION

    EPA Science Inventory

    Major uncertainties remain in our ability to identify the key reactions and primary oxidation products of volatile hydrocarbons that contribute to ozone formation in the troposphere. To reduce these uncertainties, computational chemistry, mechanistic and process analysis techniqu...

  11. Direct hydrocarbon fuel cells

    DOEpatents

    Barnett, Scott A.; Lai, Tammy; Liu, Jiang

    2010-05-04

    The direct electrochemical oxidation of hydrocarbons in solid oxide fuel cells, to generate greater power densities at lower temperatures without carbon deposition. The performance obtained is comparable to that of fuel cells used for hydrogen, and is achieved by using novel anode composites at low operating temperatures. Such solid oxide fuel cells, regardless of fuel source or operation, can be configured advantageously using the structural geometries of this invention.

  12. 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.

  13. The acoustic model of oscillations of gas combustion in coaxial pipes

    NASA Astrophysics Data System (ADS)

    Semenova, E. V.; Larionov, V. M.; Kazakova, E. I.

    2014-11-01

    Organization of pulse combustion mode is one of the possible solutions to the problem of energy efficiency installations using hydrocarbon fuel. For grate combustion of solid fuels, in particular, solid industrial wastes are considered to be promising coaxial system, allowing the admission of secondary air to the combustion zone. In this paper we proposed an acoustic model of oscillations of gas when burning solid fuel in the system is coaxially arranged pipes with natural air supply. The description of the motion of the gas in the system during one period of oscillation.

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

    DOE PAGESBeta

    Isvoranu, Dragos D.; Cizmas, Paul G. A.

    2003-01-01

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

  15. Toward Singlet-Triplet Bistable Nonalternant Kekulé Hydrocarbons: Azulene-to-Naphthalene Rearrangement.

    PubMed

    Das, Soumyajit; Wu, Jishan

    2015-12-01

    Recent developments of open-shell singlet diradicaloids motivated the search for stable singlet-triplet bistable nonalternant polycyclic hydrocarbons. During the synthesis of this type of molecule, such as the dibenzo-cyclohepta[def]fluorene 3, an unexpected azulene-to-naphthalene rearrangement was observed at room temperature, which resulted in new nonalternant hydrocarbons 8a/8b with a closed-shell singlet ground state. These studies provided insight into the unique chemistry of azulene and challenges for the synthesis of singlet-triplet bistable polycyclic hydrocarbons. PMID:26569547

  16. Dry low combustion system with means for eliminating combustion noise

    DOEpatents

    Verdouw, Albert J.; Smith, Duane; McCormick, Keith; Razdan, Mohan K.

    2004-02-17

    A combustion system including a plurality of axially staged tubular premixers to control emissions and minimize combustion noise. The combustion system includes a radial inflow premixer that delivers the combustion mixture across a contoured dome into the combustion chamber. The axially staged premixers having a twist mixing apparatus to rotate the fluid flow and cause improved mixing without causing flow recirculation that could lead to pre-ignition or flashback.

  17. COMBUSTION FOR CLEAN ENERGY: FROM LOW EMISSIONS TO LOW CO2 Ahmed F. Ghoniem

    E-print Network

    Heydari, Payam

    COMBUSTION FOR CLEAN ENERGY: FROM LOW EMISSIONS TO LOW CO2 Ahmed F. Ghoniem Massachusetts Institute of Technology The World's energy consumption is growing rapidly. Hydrocarbons will remain the major primary energy source for many decades, prompting concerns over CO2 and its climate impact. Near-term strategies

  18. Combustion research for gas turbine engines

    NASA Technical Reports Server (NTRS)

    Mularz, E. J.; Claus, R. W.

    1985-01-01

    Research on combustion is being conducted at Lewis Research Center to provide improved analytical models of the complex flow and chemical reaction processes which occur in the combustor of gas turbine engines and other aeropropulsion systems. The objective of the research is to obtain a better understanding of the various physical processes that occur in the gas turbine combustor in order to develop models and numerical codes which can accurately describe these processes. Activities include in-house research projects, university grants, and industry contracts and are classified under the subject areas of advanced numerics, fuel sprays, fluid mixing, and radiation-chemistry. Results are high-lighted from several projects.

  19. Combustion Technology Outreach

    NASA Technical Reports Server (NTRS)

    1995-01-01

    Lewis' High Speed Research (HSR) Propulsion Project Office initiated a targeted outreach effort to market combustion-related technologies developed at Lewis for the next generation of supersonic civil transport vehicles. These combustion-related innovations range from emissions measurement and reduction technologies, to diagnostics, spray technologies, NOx and SOx reduction of burners, noise reduction, sensors, and fuel-injection technologies. The Ohio Aerospace Institute and the Great Lakes Industrial Technology Center joined forces to assist Lewis' HSR Office in this outreach activity. From a database of thousands of nonaerospace firms considered likely to be interested in Lewis' combustion and emission-related technologies, the outreach team selected 41 companies to contact. The selected companies represent oil-gas refineries, vehicle/parts suppliers, and manufacturers of residential furnaces, power turbines, nonautomobile engines, and diesel internal combustion engines.

  20. Studies in premixed combustion

    SciTech Connect

    Sivashinsky, G.I.

    1992-01-01

    This report discusses the following topics on premixed combustion: theory of turbulent flame propagation; pattern formation in premixed flames and related problems; and pattern formation in extended systems. (LSP)

  1. COMBUSTION - RISK MANAGEMENT

    EPA Science Inventory

    This research involves the characterization of waste combustion systems and their emissions along with the development and evaluation of techniques to prevent emissions formation and/or control their release. This area addresses incinerators and industrial systems burning wastes...

  2. Consider Compressed Combustion 

    E-print Network

    Crowther, R. H.

    1982-01-01

    , and costs. In addition, overall advantages for applications involving energy sharing, such as cogeneration are even greater. Thus, compressed combustion should be considered seriously as an economical alternative to conventional heaters, especially in energy...

  3. Determination of nitrated polycyclic aromatic hydrocarbons in tree bark

    SciTech Connect

    Douce, D.S.; Clench, M.R.; Cooke, M.

    1995-12-31

    Nitrated polycyclic aromatic hydrocarbons (nitro-PAHs) are released into the environment from a variety of sources, including the combustion of diesel, gasoline and other organic fuels. The most important source or nitro`PAHs, is believed to be the emissions from diesel fuelled vehicles. Monitoring of this class of compound is important due to their carcinogenicity and mutagenicity. Sturaro et al have shown that tree bark acts as a passive absorbent for polycyclic aromatic hydrocarbons (PAHs). They proposed that the use of a natural and passive sampler such as tree bark might lead to a less complex overall analytical strategy for environmental measurements. It was decided to modify the method proposed by Sturaro et al, in an attempt to monitor nitro-PAH levels absorbed into the tree bark from diesel emissions.

  4. Low temperature formation of naphthalene and its role in the synthesis of PAHs (Polycyclic Aromatic Hydrocarbons) in the interstellar medium

    PubMed Central

    Zhang, Fangtong; Kim, Y. Seol; Kaiser, Ralf I.; Landera, Alexander; Kislov, Vadim V.; Mebel, Alexander M.; Tielens, A. G. G. M.

    2012-01-01

    Polycyclic aromatic hydrocarbons (PAHs) are regarded as key molecules in the astrochemical evolution of the interstellar medium, but the formation mechanism of even their simplest prototype—naphthalene (C10H8)—has remained an open question. Here, we show in a combined crossed beam and theoretical study that naphthalene can be formed in the gas phase via a barrierless and exoergic reaction between the phenyl radical (C6H5) and vinylacetylene (CH2 = CH-C ? CH) involving a van-der-Waals complex and submerged barrier in the entrance channel. Our finding challenges conventional wisdom that PAH-formation only occurs at high temperatures such as in combustion systems and implies that low temperature chemistry can initiate the synthesis of the very first PAH in the interstellar medium. In cold molecular clouds, barrierless phenyl-type radical reactions could propagate the vinylacetylene-mediated formation of PAHs leading to more complex structures like phenanthrene and anthracene at temperatures down to 10 K. PMID:22198769

  5. Chemistry of the outer planets

    NASA Technical Reports Server (NTRS)

    Scattergood, Thomas W.

    1992-01-01

    Various aspects were studied of past or present chemistry in the atmospheres of the outer planets and their satellites using lab simulations. Three areas were studied: (1) organic chemistry induced by kinetically hot hydrogen atoms in the region of Jupiter's atmosphere containing the ammonia cirrus clouds; (2) the conversion of NH3 into N2 by plasmas associated with entry of meteors and other objects into the atmosphere of early Titan; and (3) the synthesis of simple hydrocarbons and HCN by lightning in mixtures containing N2, CH4, and NH3 representing the atmospheres of Titan and the outer planets. The results showed that: (1) hot H2 atoms formed from the photodissociation of NH3 in Jupiter's atmosphere could account for some of the atmospheric chemistry in the ammonia cirrus cloud region; (2) the thermalization of hot H2 atoms in atmospheres predominated by molecular H is not as rapid as predicted by elastic collision theory; (3) the net quantum loss of NH3 in the presence of a 200 fold excess of H2 is 0.02, much higher than was expected from the amount of H2 present; (4) the conversion of NH3 into N2 in plasmas associated with infalling meteors is very efficient and rapid, and could account for most of the N2 present on Titan; (5) the yields of C2H2 and HCN from lightning induced chemistry in mixtures of CH4 and N2 is consistent with quenched thermodynamic models of the discharge core; and (6) photolysis induced by the UV light emitted by the gases in the hot plasmas may account for some, if not most, of the excess production of C2H6 and the more complex hydrocarbons.

  6. Generalities on combustion instabilities

    NASA Astrophysics Data System (ADS)

    Kuentzmann, Paul

    The main manifestations of combustion instabilities are reviewed, and the specific characteristics of instabilities in solid-propellant rocket engines are analyzed, with the Minuteman III third-stage engine and the SRB engine of Titan 34 D considered as examples. The main approaches for predicting combustion instabilities are discussed, including the linear approach based on the acoustic balance, the nonlinear mode-coupling approach, and the nonlinear approach using numerical calculation. Projected directions for future research are also examined.

  7. Coal combustion system

    DOEpatents

    Wilkes, Colin (Lebanon, IN); Mongia, Hukam C. (Carmel, IN); Tramm, Peter C. (Indianapolis, IN)

    1988-01-01

    In a coal combustion system suitable for a gas turbine engine, pulverized coal is transported to a rich zone combustor and burned at an equivalence ratio exceeding 1 at a temperature above the slagging temperature of the coal so that combustible hot gas and molten slag issue from the rich zone combustor. A coolant screen of water stretches across a throat of a quench stage and cools the combustible gas and molten slag to below the slagging temperature of the coal so that the slag freezes and shatters into small pellets. The pelletized slag is separated from the combustible gas in a first inertia separator. Residual ash is separated from the combustible gas in a second inertia separator. The combustible gas is mixed with secondary air in a lean zone combustor and burned at an equivalence ratio of less than 1 to produce hot gas motive at temperature above the coal slagging temperature. The motive fluid is cooled in a dilution stage to an acceptable turbine inlet temperature before being transported to the turbine.

  8. Polycyclic aromatic hydrocarbons residues in sandstorm depositions in Beijing, China

    SciTech Connect

    Fu, S.; Li, K.; Xia, X.J.; Xu, X.B.

    2009-02-15

    This study was conducted to determine the concentration of 16 polycyclic aromatic hydrocarbons (PAHs) in sandstorm depositions in Beijing, China. The PAH concentrations in 13 samples collected in Beijing ranged from 0.18 to 3.52 {mu} g g{sup -1}. Analysis of the sources of contamination revealed that the PAHs were derived from a coal combustion source, although various effects of traffic emissions were also observed. Furthermore, the PAH levels in Beijing tended to be higher in the southeast. Finally, the Nemerow composite index revealed that the degree of pollution in the sandstorm depositions varied widely among sampling sites.

  9. Heavy Lift Launch Capability with a New Hydrocarbon Engine

    NASA Technical Reports Server (NTRS)

    Threet, Grady E., Jr.; Holt, James B.; Philips, Alan D.; Garcia, Jessica A.

    2011-01-01

    The Advanced Concepts Office at NASA's George C. Marshall Space Flight Center was tasked to define the thrust requirement of a new liquid oxygen rich staged combustion cycle hydrocarbon engine that could be utilized in a launch vehicle to meet NASA s future heavy lift needs. Launch vehicle concepts were sized using this engine for different heavy lift payload classes. Engine out capabilities for one of the heavy lift configurations were also analyzed for increased reliability that may be desired for high value payloads or crewed missions. The applicability for this engine in vehicle concepts to meet military and commercial class payloads comparable to current ELV capability was also evaluated.

  10. Irradiation chemistry in the outer solar system

    NASA Astrophysics Data System (ADS)

    Brown, Michael E.

    2014-11-01

    The dark, reddish tinged surfaces of icy bodies in the outer solar are usually attributed to the long term irradiation of simple hydrocarbons such as methane leading to the loss of hydrogen and the production of long carbon chains. While methane is stable and detected on the most massive bodies in the Kuiper belt, evidence of active irradiation chemistry is scant except for the presence of ethane on methane-rich Makemake and possible detections of ethane on more methane-poor Pluto and Quaoar. We have obtained deep high signal-to-noise spectra of Makemake from 1.5 to 2.5 microns in an attempt to trace the radiation chemistry in the outer solar system beyond the initial ethane formation. We present the first astrophysical detections of solid ethylene, acetylene, and possibly propane -- all expected products of the continued irradiation of methane, and use these species to map the chemical pathway from methane to long-chain hydrocarbons.

  11. Department of Chemistry "Supramolecular Chemistry in Polymeric

    E-print Network

    Mark, James E.

    Department of Chemistry "Supramolecular Chemistry in Polymeric Systems: From Nanoassemblies Colloquium Friday, May 15, 2009 3:00 p.m. 502 Rieveschl #12;Supramolecular Chemistry in Polymeric Systems.rowan@case.edu The utilization of supramolecular chemistry, the chemistry of the non-covalent bond, in the polymeric realm has

  12. FACULTY OF CHEMISTRY AND PHARMACY CHEMISTRY & PHARMACY

    E-print Network

    Schubart, Christoph

    FACULTY OF CHEMISTRY AND PHARMACY Faculty of CHEMISTRY & PHARMACY People and their research #12;PD Dr. Denis Usvyat Theoretical Chemistry PD Dr. Sabine Amslinger Organic Chemistry Dr. Ferdinand Brandl Pharmaceutical Technology Dr. Robert Kretschmer Inorganic Chemistry Dr. Christoph Dorn Clinical Pharmacy Our

  13. Chem 681 Quantum Chemistry Chemistry 681

    E-print Network

    Chem 681 Quantum Chemistry Chemistry 681 Introduction to Quantum Chemistry Fall 2003 BIBLIOGRAPHY]. The physical chemistry text by McQuarrie & Simon [3] (used in Chem 390) also has relevant material. The thirdQuarrie, Quantum Chemistry (University Science Books). [2] P.W. Atkins, Molecular Quantum Mechanics (Oxford). [3

  14. Effects of fuel cracking on combustion characteristics of a supersonic model combustor

    NASA Astrophysics Data System (ADS)

    Zhong, Zhan; Wang, Zhenguo; Sun, Mingbo

    2015-05-01

    The compositions of endothermic hydrocarbon fuels in cooling channels of regenerative cooled scramjet engines change along with fuel cracking. To investigate the effect of fuel compositions variation resulting from cracking on the combustion characteristics of supersonic combustors, a series of combustion tests with a wide range of equivalence ratios were conducted in a direct-connected test rig under the inflow conditions of Ma=3.46 and Tt=1430 K. The combustion characteristics of room temperature ethylene and vaporized China no. 3 aviation kerosene (RP-3) with negligible cracking were analyzed and compared based on the measured static pressure distributions along the combustor wall, fuel specific impulses, flame luminosity images and the one-dimensional average flow parameter distributions calculated by a quasi-one-dimensional data analysis method. The experimental results showed that the differences between the combustion characteristics of vaporized RP-3 and ethylene were sensitive to equivalence ratio. Under low equivalence ratios, vaporized RP-3 and ethylene had remarkably different combustion characteristics. Ethylene had an obvious higher static pressure level, specific impulse and combustion efficiency than vaporized RP-3 for its higher activity. The difference of combustion performance between vaporized RP-3 and ethylene was narrowed with the increase of equivalence ratio and the corresponding combustion condition improvement. When the equivalence ratio increased to 1.09, vaporized RP-3 and ethylene had tiny difference in combustion performance.

  15. Disk Chemistry

    NASA Astrophysics Data System (ADS)

    Thi, Wing-Fai

    2015-09-01

    The chemical species in protoplanetary disks react with each other. The chemical species control part of the thermal balance in those disks. How the chemistry proceeds in the varied conditions encountered in disks relies on detailed microscopic understanding of the reactions through experiments or theoretical studies. This chapter strives to summarize and explain in simple terms the different types of chemical reactions that can lead to complex species. The first part of the chapter deals with gas-phase chemistry and the second part introduces chemical reactions occurring on grain surfaces. Several terms pertaining to astrochemistry are introduced. 11th Lecture of the Summer School "Protoplanetary Disks: Theory and Modelling Meet Observations"

  16. 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.

  17. Hydrocarbon biodegradation in intertidal wetland sediments.

    PubMed

    McGenity, Terry J

    2014-06-01

    Intertidal wetlands, primarily salt marsh, mangrove and mudflats, which provide many essential ecosystem services, are under threat on numerous fronts; a situation that is made worse by crude-oil pollution. Microbes are the main vehicle for remediation of such sediments, and new discoveries, such as novel biodegradation pathways, means of accessing oil, multi-species interactions, and community-level responses to oil addition, are helping us to understand, predict and monitor the fate of oil. Despite this, there are many challenges, not least because of the heterogeneity of these ecosystems and the complexity of crude oil. For example, there is growing awareness about the toxicity of the oxygenated products that result from crude-oil weathering, which are difficult to degrade. This review highlights how developments in areas as diverse as systems biology, microbiology, ecology, biogeochemistry and analytical chemistry are enhancing our understanding of hydrocarbon biodegradation and thus bioremediation of oil-polluted intertidal wetlands. PMID:24863896

  18. Structural Evolution of Interstellar Polycyclic Aromatic Hydrocarbons

    NASA Astrophysics Data System (ADS)

    Hammonds, Mark; Candian, Alessandra; Mori, Tamami; Usui, Fumihiko; Onaka, Takashi

    2015-08-01

    Polycyclic Aromatic Hydrocarbons (PAHs) are an important reservoir for molecular carbon in the interstellar medium (ISM), and investigations into their chemistry and behaviour may be important to the understanding of how carbon is processed from simple forms into complex prebiotic molecules such as those detected in chondritic meteorites. In this study, infrared astronomical data from AKARI and other observatories are used together with laboratory and theoretical data to study variations in the structure of emitting PAHs in interstellar environments using spectroscopic decomposition techniques and bands arising from carbon-hydrogen bond vibrations at wavelengths from 3 - 14 microns. Results and inferences are discussed in terms of the processing of large carbonaceous molecules in astrophysical environments.

  19. Molecular Tracers of Saturated and Polycyclic Aromatic Hydrocarbon Inputs into Central Park Lake, New York City

    PubMed Central

    YAN, BEIZHAN; ABRAJANO, TEOFILO A.; BOPP, RICHARD F.; CHAKY, DAMON A.; BENEDICT, LUCILLE A.; CHILLRUD, STEVEN N.

    2011-01-01

    Saturated hydrocarbons (SH) and polycyclic aromatic hydrocarbons (PAHs) have been quantified in a sediment core obtained from Central Park Lake, New York City. Radionuclides 210Pb and 137Cs were used to assign approximate dates to each individual section in the core. The dating profile based on 210Pb matches very well with the time constraints provided by 137Cs. Radionuclide-derived depositional dates are consistent with temporal information from the petroleum-indicator ratio U/R [the ratio of unresolved complex mixture (UCM) to saturated hydrocarbons in the aliphatic fraction] and the history of fuel use in the NYC area. Ratios of 1,7-dimethylphenanthrane (DMP) to 1,7-DMP plus 2,6-DMP [1,7/(1,7 + 2,6)-DMP], retene to retene plus chrysene [Ret/(Ret + Chy)], and fluoranthene to fluoranthene plus pyrene [Fl/(Fl + Py)] provide additional source discrimination throughout the core. Results show that the ratio U/R is sensitive to petroleum inputs and Ret/(Ret + Chy) is responsive to contributions from softwood combustion, whereas both Fl/(Fl + Py) and 1,7/(1,7 + 2,6)-DMP can be used to discriminate among wood, coal, and petroleum combustion sources. Combined use of these ratios suggests that in New York City, wood combustion dominated 100 years ago, with a shift to coal combustion occurring from the 1900s to the 1950s. Petroleum use began around the 1920s and has dominated since the 1940s. PMID:16201624

  20. A study of combustion of hydrogen-enriched gasoline in a spark ignition engine

    SciTech Connect

    Apostolescu, N.; Chiriac, R.

    1996-09-01

    An investigation has been done on the influence of small amounts of hydrogen added to hydrocarbons-air mixtures on combustion characteristics. The effect of hydrogen addition to a hydrocarbon-air mixture was firstly approached in an experimental bomb, to measure the laminar burning velocity and the shift of lean flammability limit. Experiments carried out with a single-cylinder four stroke SI engine confirmed the possibility of expanding the combustion stability limit, which correlates well with the general trend of enhancing the rate of combustion. An increase of brake thermal efficiency has been obtained with a reduction of HC emissions; the NO{sub x} emissions were higher, except for very lean mixtures.

  1. Engineering Chlorinated hydrocarbons such as trichloroethylene

    E-print Network

    Chemical Engineering Abstract Chlorinated hydrocarbons such as trichloroethylene (TCE) form a class carriers/supports for NZVI particles to address the in situ remediation of chlorinated hydrocarbons. We Remediation of Chlorinated Hydrocarbons Dr. Vijay John Department of Chemical & Biomolecular Engineering

  2. Symposium /International/ on Combustion, 17th, Leeds University, Leeds, England, August 20-25, 1978, Proceedings

    NASA Technical Reports Server (NTRS)

    1979-01-01

    The Symposium focused on deflagration to detonation transition, coal combustion, turbulent-combustion interactions, kinetics, furnace combustion, inhibition and ignition, flame structure and chemistry, combustion studies, measurement techniques, fire and explosion, engine combustion, soot, and propellants and explosives. Papers were presented on numerical modeling of the deflagration-to-detonation transition, the interaction between turbulence and combustion, turbulent flame propagation in premixed gases, spray evaporation in recirculating flow, dissociation of nitric oxide in shock waves, pollutant emissions from partially mixed turbulent flames, energy transfer and quenching rates of laser-pumped electronically excited alkalis in flames, a study of flammability limits using counterflow flames, the unified theory of explosions with fuel consumption, and the dynamics and radiant intensity of large hydrogen flames.

  3. Application of Density Functional Theory to the Study of the Reaction of NO with Char-Bound Nitrogen during Combustion

    E-print Network

    Truong, Thanh N.

    combustion.1 The chemistry of the formation of nitrogen oxides during coal combustion is complex and many as pyridine and quaternary nitrogen species although pyrrole and N-oxide are also observed.8,9 These nitrogen with O2.4,10,11 Some studies have tried to relate the evolution of nitrogen oxides with nitrogen groups

  4. Arches and hydrocarbon accumulations

    SciTech Connect

    El Hashami, M.

    1986-05-01

    Arching is a dynamic process that starts with part of the cratonic crust being folded. The fold continues to grow and may spread over hundreds of miles before its growth is terminated, usually by faulting. In many continents, arching was the dominant intracratonic structural style during the early Paleozoic. The paleogeographic effects of this evolutionary stage determine the nature, size, and trends of hydrocarbon traps in such regions. The stage of arch growth defines the nature of future reservoirs. Pinchouts develop in a clastic sedimentary regime (e.g., Hassi Massoud, Algeria), whereas reefal belts are associated with a carbonate regime (e.g., Peace River arch, western Canada). The stage of faulting determines the future setting of traps. The particular pattern of faults developed at the end of arch growth, and its response to later changes in stress and superposition by subsequent structural elements, define the closure, size, and distribution of hydrocarbon traps. A model from western Europe illustrates the growth, faulting, and postfaulting stages of an arch. The duration of the growth stage in this model, from Early Devonian to Late Triassic, illustrates the role of this particular tectonic frame in the modality of sedimentation and the distribution of facies and unconformities. The faulting stage of this arch, during the Early Jurassic, was dominated by longitudinal, northwest-trending faults. These early developed faults played an important role during later tectonic events in the area. This model and examples from North America provide clues for exploration strategy in regions that have undergone arching.

  5. Coupled chemistry/climate issues

    SciTech Connect

    Rotman, D.A.; Wuebbles, D.J.

    1994-09-01

    Driven by both natural and anthropogenic causes, the distributions of trace chemical species in the atmosphere has altered the natural state of the chemical distribution and, the authors believe, the climate system. A clear example of this change and its effect on climate is through tropospheric ozone. Evidence shows that over the last decade tropospheric ozone has increased, probably caused by increasing concentrations and emissions of CH{sub 4}, CO, NO{sub x}, and NMHCs (nonmethane hydrocarbons). Tropospheric ozone is photochemically produced when nitrogen oxides react in the presence of carbon monoxide, methane, non-methane hydrocarbons and sunlight. The chemistry of ozone and NO{sub x} is also closely associated with the hydroxyl radical (OH), which governs the atmospheric lifetime of a number of species, including CH{sub 4} and chlorofluorocarbons (CFCs), which are major greenhouse gases and which affect the chemical balance of the stratosphere. Increases in the concentrations of CO and CH{sub 4} can lead to decreased concentrations of OH and a positive feedback on the atmospheric lifetimes of CO and methane. The same would occur for other greenhouse gases and for some of the important reactions which form aerosols in the troposphere. This would further enhance the concentrations of the gases and accelerate the radiative effects from these greenhouse species, strongly affecting climate and the accurate prediction of climate. It is believed that warmer climates will also increase the amount of water in the atmosphere, thereby providing another chemistry feedback on OH.

  6. Occurrence, sources and transport pathways of natural and anthropogenic hydrocarbons in deep-sea sediments of the eastern Mediterranean Sea

    NASA Astrophysics Data System (ADS)

    Parinos, C.; Gogou, A.; Bouloubassi, I.; Pedrosa-Pàmies, R.; Hatzianestis, I.; Sanchez-Vidal, A.; Rousakis, G.; Velaoras, D.; Krokos, G.; Lykousis, V.

    2013-09-01

    Surface sediments collected from deep basins (1018-4087 m depth) of the eastern Mediterranean Sea (Ionian Sea, southern Aegean Sea and northwestern Levantine Sea) were analyzed for aliphatic and polycyclic aromatic hydrocarbons as tracers of natural and anthropogenic inputs. Concentrations of total aliphatic hydrocarbons, n-alkanes and the unresolved complex mixture (UCM) of aliphatic hydrocarbons varied significantly, ranging from 1.34 to 49.2 ?g g-1, 145 to 4810 ng g-1 and 0.73 to 36.7 ?g g-1, respectively, while concentrations of total polycyclic aromatic hydrocarbons (PAHs) ranged between 11.6 and 223 ng g-1. Molecular profiles of determined hydrocarbons reflect a mixed contribution from both natural and anthropogenic sources in deep-sea sediments of the eastern Mediterranean Sea, i.e., terrestrial plant waxes, degraded petroleum products, unburned fossil fuels and combustion of grass, wood and coal. Hydrocarbon mixtures display significant variability amongst sub-regions, reflecting differences in the relative importance of inputs from various sources and phase associations/transport pathways of individual hydrocarbons that impact on their overall distribution and fate. Hydrocarbon concentrations correlated significantly with the organic carbon content of sediments, indicating that the latter exerts an important control on their transport and ultimate accumulation in deep basins. Additionally, water masses' circulation characteristics also seem to influence the regional features and distribution patterns of hydrocarbons. Our findings highlight the role of deep basins/canyons as repositories of both natural and anthropogenic chemical species.

  7. Hydrocarbon-Soluble Mercuracarborands: Syntheses, Halide Complexes, and Supramolecular Chemistry

    E-print Network

    Zheng, Zhiping

    Via their carbon vertices by electrophilic mercury atoms are described. The reaction of closo-1,2-Li2.186(3)°, ) 114.202(2)°, V ) 1492 Å3, Z ) 1, R ) 0.078, Rw ) 0.104]. The hosts 5 and 6 form 1:1 supramolecular atom centers connected by closo-1,2-C2B10H10 icosahedra (Figure 1).1 These "mercuracarborand" cyclic

  8. Analysis of Lean Premixed/Prevaporized Combustion with KIVA-2

    NASA Technical Reports Server (NTRS)

    Deur, J. M.; Kundu, K. P.; Darling, D. D.; Cline, M. C.; Micklow, G. J.; Harper, M. R.; Simons, T. A.

    1994-01-01

    Requirements to reduce the emissions of pollutants from gas turbines used in aircraft propulsion and ground based power generation have led to consideration of lean premixed/prevaporized (LPP) combustion concept. This paper describes some of the LPP flame tube analyses performed at the NASA Research Center with KIVA-2, a well-known multi-dimensional CFD code for problems including sprays, turbulence, and combustion. Modifications to KIVA-2's boundary condition and chemistry treatments have been made to meet the needs of the present study. The study itself focuses on two key aspects of the LPP concept, low emissions and flame stability (including flashback and lean blowoff.

  9. Chemistry Notes.

    ERIC Educational Resources Information Center

    School Science Review, 1983

    1983-01-01

    Presents chemistry experiments, laboratory procedures, demonstrations, teaching suggestions, and classroom materials/activities. These include: game for teaching ionic formulas; method for balancing equations; description of useful redox series; computer programs (with listings) for water electrolysis simulation and for determining chemical…

  10. Chemistry Notes

    ERIC Educational Resources Information Center

    School Science Review, 1972

    1972-01-01

    Short articles on the kinetics of the hydrogen peroxide-iodide ion reaction, simulation of fluidization catalysis, the use of Newman projection diagrams to represent steric relationships in organic chemistry, the use of synthetic substrates for proteolytic enzyme reactions, and two simple clock reactions"--hydrolysis of halogenoalkanes and…

  11. Chemistry Notes

    ERIC Educational Resources Information Center

    School Science Review, 1976

    1976-01-01

    Describes several chemistry projects, including solubility, formula for magnesium oxide, dissociation of dinitrogen tetroxide, use of 1-chloro-2, 4-dinitrobenzene, migration of ions, heats of neutralizations, use of pocket calculators, sonic cleaning, oxidation states of manganese, and cell potentials. Includes an extract from Chemical Age on…

  12. Chemistry Notes.

    ERIC Educational Resources Information Center

    School Science Review, 1978

    1978-01-01

    Describes some laboratory apparatus, chemistry experiments and demonstrations, such as a Kofler block melting point apparatus, chromatographic investigation of the phosphoric acid, x-ray diffraction, the fountain experiment, endothermic sherbet, the measurement of viscosity, ionization energies and electronic configurations. (GA)

  13. Chemistry Notes.

    ERIC Educational Resources Information Center

    School Science Review, 1983

    1983-01-01

    Presents chemistry experiments, laboratory procedures, demonstrations, and classroom materials/activities. These include: experiments on colloids, processing of uranium ore, action of heat on carbonates; color test for phenols and aromatic amines; solvent properties of non-electrolytes; stereoscopic applications/methods; a valency balance;…

  14. Chemistry Notes.

    ERIC Educational Resources Information Center

    School Science Review, 1982

    1982-01-01

    Presents procedures, experiments, demonstrations, teaching suggestions, and information on a variety of chemistry topics including, for example, inert gases, light-induced reactions, calculators, identification of substituted acetophenones, the elements, analysis of copper minerals, extraction of metallic strontium, equilibrium, halogens, and…

  15. 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…

  16. A thermodynamic analysis of alternative approaches to chemical looping combustion

    SciTech Connect

    Chakravarthy, Veerathu K; Daw, C Stuart; Pihl, Josh A

    2011-01-01

    In this article, we review and clarify some of the points made by previous authors regarding chemical looping combustion (CLC). While much of the recent interest in chemical looping combustion has been associated with carbon sequestration, our primary interest here is its potential to increase the thermodynamic efficiency of converting fuel chemical energy into useful work. We expand on several points about the details of CLC that we feel have not previously been sufficiently explored, and suggest alternative (and possibly more practical) approaches that exploit some of the same thermodynamic concepts. We illustrate our key points with {First} and {Second} Law analyses of ideal conceptual processes, which in addition to {CLC} also include isothermal, non-equilibrium, preheated combustion and combustion with thermochemical recuperation. Our results suggest that a significant portion of the potential efficiency benefit of CLC might be achieved without the need to handle and transport large quantities of solid oxygen storage material. Exploitation of this fact may lead to higher efficiency approaches for power generation from hydrocarbon fuels combustion.

  17. Thermophysical Properties of Hydrocarbon Mixtures

    National Institute of Standards and Technology Data Gateway

    SRD 4 NIST Thermophysical Properties of Hydrocarbon Mixtures (PC database for purchase)   Interactive computer program for predicting thermodynamic and transport properties of pure fluids and fluid mixtures containing up to 20 components. The components are selected from a database of 196 components, mostly hydrocarbons.

  18. Hydrocarbon sensors and materials therefor

    DOEpatents

    Pham, Ai Quoc (San Jose, CA); Glass, Robert S. (Livermore, CA)

    2000-01-01

    An electrochemical hydrocarbon sensor and materials for use in sensors. A suitable proton conducting electrolyte and catalytic materials have been found for specific application in the detection and measurement of non-methane hydrocarbons. The sensor comprises a proton conducting electrolyte sandwiched between two electrodes. At least one of the electrodes is covered with a hydrocarbon decomposition catalyst. Two different modes of operation for the hydrocarbon sensors can be used: equilibrium versus non-equilibrium measurements and differential catalytic. The sensor has particular application for on-board monitoring of automobile exhaust gases to evaluate the performance of catalytic converters. In addition, the sensor can be utilized in monitoring any process where hydrocarbons are exhausted, for instance, industrial power plants. The sensor is low cost, rugged, sensitive, simple to fabricate, miniature, and does not suffer cross sensitivities.

  19. Combustion in fluidized beds

    SciTech Connect

    Dry, F.J.; La Nauze, R.D. )

    1990-07-01

    Circulating fluidized-bed (CFB) combustion systems have become popular since the late 1970s, and, given the current level of activity in the area,it is clear that this technology has a stable future in the boiler market. For standard coal combustion applications, competition is fierce with mature pulverized-fuel-based (PF) technology set to maintain a strong profile. CFB systems, however, can be more cost effective than PF systems when emission control is considered, and, as CFB technology matures, it is expected that an ever-increasing proportion of boiler installations will utilize the CFB concept. CFB systems have advantages in the combustion of low-grade fuels such as coal waste and biomass. In competition with conventional bubbling beds, the CFB boiler often demonstrates superior carbon burn-out efficiency. The key to this combustion technique is the hydrodynamic behavior of the fluidized bed. This article begins with a description of the fundamental fluid dynamic behavior of the CFB system. This is followed by an examination of the combustion process in such an environment and a discussion of the current status of the major CFB technologies.

  20. Microgravity Combustion Diagnostics Workshop

    NASA Technical Reports Server (NTRS)

    Santoro, Gilbert J. (editor); Greenberg, Paul S. (editor); Piltch, Nancy D. (editor)

    1988-01-01

    Through the Microgravity Science and Applications Division (MSAD) of the Office of Space Science and Applications (OSSA) at NASA Headquarters, a program entitled, Advanced Technology Development (ATD) was promulgated with the objective of providing advanced technologies that will enable the development of future microgravity science and applications experimental flight hardware. Among the ATD projects one, Microgravity Combustion Diagnostics (MCD), has the objective of developing advanced diagnostic techniques and technologies to provide nonperturbing measurements of combustion characteristics and parameters that will enhance the scientific integrity and quality of microgravity combustion experiments. As part of the approach to this project, a workshop was held on July 28 and 29, 1987, at the NASA Lewis Research Center. A small group of laser combustion diagnosticians met with a group of microgravity combustion experimenters to discuss the science requirements, the state-of-the-art of laser diagnostic technology, and plan the direction for near-, intermediate-, and long-term programs. This publication describes the proceedings of that workshop.

  1. Mid-IR fiber optic sensors for internal combustion engines

    NASA Astrophysics Data System (ADS)

    Hall, Matthew J.

    1999-12-01

    Environmental regulations are driving development of cleaner spark ignition, diesel, and gas turbine engines. Emissions of unburned hydrocarbons, NOx, and CO can be affected by the characteristics of the mixing of the fuel with air in the engine, and by the amount of exhaust gas recirculated to the engine intake. Fiber optic sensors have been developed that can measure the local fuel concentration in the combustion chamber of a spark ignition engine near the spark plug. The sensors detect the absorption of 3.4 micrometer radiation corresponding to the strongest absorption band common to all hydrocarbons. The sensors have been applied to both liquid and gaseous hydrocarbon fuels, and liquid fuels injected directly into the engine combustion chamber. The sensors use white light sources and are designed to detect the absorption throughout the entire band minimizing calibration problems associated with pressure and temperature broadening. Other sensors can detect the concentration of CO2 in the engine intake manifold providing time-resolved measurement of exhaust gas recirculation (EGR). Proper EGR levels are critical for achieving low engine-out emissions of NOx while maintaining acceptable engine performance.

  2. THE ADVANCED CHEMISTRY BASINS PROJECT

    SciTech Connect

    William Goddard; Peter Meulbroek; Yongchun Tang; Lawrence Cathles III

    2004-04-05

    In the next decades, oil exploration by majors and independents will increasingly be in remote, inaccessible areas, or in areas where there has been extensive shallow exploration but deeper exploration potential may remain; areas where the collection of data is expensive, difficult, or even impossible, and where the most efficient use of existing data can drive the economics of the target. The ability to read hydrocarbon chemistry in terms of subsurface migration processes by relating it to the evolution of the basin and fluid migration is perhaps the single technological capability that could most improve our ability to explore effectively because it would allow us to use a vast store of existing or easily collected chemical data to determine the major migration pathways in a basin and to determine if there is deep exploration potential. To this end a the DOE funded a joint effort between California Institute of Technology, Cornell University, and GeoGroup Inc. to assemble a representative set of maturity and maturation kinetic models and develop an advanced basin model able to predict the chemistry of hydrocarbons in a basin from this input data. The four year project is now completed and has produced set of public domain maturity indicator and maturation kinetic data set, an oil chemistry and flash calculation tool operable under Excel, and a user friendly, graphically intuitive basin model that uses this data and flash tool, operates on a PC, and simulates hydrocarbon generation and migration and the chemical changes that can occur during migration (such as phase separation and gas washing). The DOE Advanced Chemistry Basin Model includes a number of new methods that represent advances over current technology. The model is built around the concept of handling arbitrarily detailed chemical composition of fluids in a robust finite-element 2-D grid. There are three themes on which the model focuses: chemical kinetic and equilibrium reaction parameters, chemical phase equilibrium, and physical flow through porous media. The chemical kinetic scheme includes thermal indicators including vitrinite, sterane ratios, hopane ratios, and diamonoids; and a user-modifiable reaction network for primary and secondary maturation. Also provided is a database of type-specific kerogen maturation schemes. The phase equilibrium scheme includes modules for primary and secondary migration, multi-phase equilibrium (flash) calculations, and viscosity predictions.

  3. Steering proton migration in hydrocarbons using intense few-cycle laser fields

    E-print Network

    Kübel, M; Burger, C; Kling, Nora G; Li, H; Alnaser, A S; Bergues, B; Zherebtsov, S; Azzeer, A M; Ben-Itzhak, I; Moshammer, R; de Vivie-Riedle, R; Kling, M F

    2015-01-01

    Proton migration is a ubiquitous process in chemical reactions related to biology, combustion, and catalysis. Thus, the ability to control the movement of nuclei with tailored light, within a hydrocarbon molecule holds promise for far-reaching applications. Here, we demonstrate the steering of hydrogen migration in simple hydrocarbons, namely acetylene and allene, using waveform-controlled, few-cycle laser pulses. The rearrangement dynamics are monitored using coincident 3D momentum imaging spectroscopy, and described with a quantum-dynamical model. Our observations reveal that the underlying control mechanism is due to the manipulation of the phases in a vibrational wavepacket by the intense off-resonant laser field.

  4. Experimental study of gas turbine combustion with elevated fuel temperatures

    NASA Astrophysics Data System (ADS)

    Wiest, Heather K.

    Many thermal management challenges have developed as advancements in gas turbine engine designs are made. As the thermal demands on gas turbine engines continue to increase, the heat sink available in the combustor fuel flow becomes more attractive. Increasing the temperature of fuel by using it as a heat sink can lead to higher combustion efficiency due to the increase in flow enthalpy and improved vaporization of the heated fuel. Emissions levels can also be affected by using heated fuels with the levels of carbon monoxide and unburned hydrocarbons tending to decrease while the amount of the oxides of nitrogen tends to increase. Although there are several benefits associated with using heated fuels in gas turbine engines, some problems can arise from their use including combustion instabilities, flashing within the fuel injector, and fuel coking or deposit formation within the fuel system. Various deoxygenation methods have been created to address the coking problem seen when using heated fuels. In the Gas Turbine Test Cell of the High Pressure Laboratory at Purdue University's Maurice J. Zucrow Laboratories, a 5 MW combustion rig was developed to complete combustion test with heated fuels. The facility's supply systems including heated air, jet fuel, cooling water, and nitrogen were designed and integrated to produce simulated engine conditions within the combustion rig. Heating capabilities produced fuel temperatures ranging up to 600 deg F. Testing was completed with two fuel deoxygenation methods: nitrogen sparging and catalytic deoxygenation. Results from the testing campaign included conventional pressure, temperature, and fuel property measurements; however, the most important measurements were the emissions samples that were analyzed for each test condition. Levels of carbon monoxide, unburned hydrocarbons, and oxides of nitrogen were determined as well as the combustion efficiency calculated from these emissions measurements. The trends in emissions and performance from the increase in fuel temperature will be discussed. In addition, high frequency pressure data were recorded during testing to monitor combustion instabilities. Fuel samples were also taken and analyzed to document the changes in the volatile composition of the fuel from the two deoxygenation methods. The testing campaign was extremely successful. All project objectives were met with the heated fuel testing campaign. The combustion rig was run safely with fuel temperature up to 600 deg F, allowing the effects of elevated fuel temperatures on the performance and emissions of a gas turbine combustor to be evaluated as planned.

  5. Correlating benzene, total hydrocarbon and carbon monoxide emissions from wood-fired boilers

    SciTech Connect

    Hubbard, A.J.; Grande, D.E.; Berens, J.R.; Piotrowski, J.

    1997-12-31

    Hazardous air pollutants, including benzene, are generated by the incomplete combustion of fuels. Organic compound emissions, which are generally products of incomplete combustion, are reduced by promoting high quality combustion, for example by controlling furnace exit temperatures and establishing minimum residence times. Monitoring carbon monoxide (CO) emissions is important since the amount of carbon monoxide emitted represents the quality of combustion which in turn represents the amount of hazardous air pollutants being generated. Total hydrocarbon (THC) emissions are also related to the quality of combustion. Recently the Wisconsin Department of Natural Resources (DNR) measured the benzene and total hydrocarbon emissions from two large industrial wood fired boilers. These boilers are located at Tenneco Packaging, a container board manufacturing facility in northern Wisconsin. Temperature, oxygen and carbon monoxide concentrations were sampled continuously by Tenneco Packaging`s emission monitoring system. The Department`s team used an organic vapor analyzer to continuously measure concentrations of total hydrocarbons (THC). The Department`s team also used a modified USEPA Method 18 sampling train to capture organic vapors for subsequent analysis by gas chromatography. The data show correlations between benzene and carbon monoxide, and between benzene and THC concentrations. The emissions sampling occurred both upstream of the particulate emissions control system as well as at the stack. The CO variations during actual boiler operation appeared to be well correlated with changes in boiler steam load. That is, increases in CO generally accompanied a change, either up or down, in boiler load. Lower concentrations of CO were associated with stable combustion, as indicated by periods of constant or nearly constant boiler load.

  6. Combustible structural composites and methods of forming combustible structural composites

    DOEpatents

    Daniels, Michael A. (Idaho Falls, ID); Heaps, Ronald J. (Idaho Falls, ID); Steffler, Eric D (Idaho Falls, ID); Swank, William D. (Idaho Falls, ID)

    2011-08-30

    Combustible structural composites and methods of forming same are disclosed. In an embodiment, a combustible structural composite includes combustible material comprising a fuel metal and a metal oxide. The fuel metal is present in the combustible material at a weight ratio from 1:9 to 1:1 of the fuel metal to the metal oxide. The fuel metal and the metal oxide are capable of exothermically reacting upon application of energy at or above a threshold value to support self-sustaining combustion of the combustible material within the combustible structural composite. Structural-reinforcing fibers are present in the composite at a weight ratio from 1:20 to 10:1 of the structural-reinforcing fibers to the combustible material. Other embodiments and aspects are disclosed.

  7. Combustible structural composites and methods of forming combustible structural composites

    DOEpatents

    Daniels, Michael A.; Heaps, Ronald J.; Steffler, Eric D.; Swank, W. David

    2013-04-02

    Combustible structural composites and methods of forming same are disclosed. In an embodiment, a combustible structural composite includes combustible material comprising a fuel metal and a metal oxide. The fuel metal is present in the combustible material at a weight ratio from 1:9 to 1:1 of the fuel metal to the metal oxide. The fuel metal and the metal oxide are capable of exothermically reacting upon application of energy at or above a threshold value to support self-sustaining combustion of the combustible material within the combustible structural composite. Structural-reinforcing fibers are present in the composite at a weight ratio from 1:20 to 10:1 of the structural-reinforcing fibers to the combustible material. Other embodiments and aspects are disclosed.

  8. Different toxic mechanisms are activated by emission PM depending on combustion efficiency

    NASA Astrophysics Data System (ADS)

    Uski, O.; Jalava, P. I.; Happo, M. S.; Leskinen, J.; Sippula, O.; Tissari, J.; Mäki-Paakkanen, J.; Jokiniemi, J.; Hirvonen, M.-R.

    2014-06-01

    Ambient air levels of fine particulate matter (PM ? 2.5 ?m) are associated with mortality and morbidity. In addition to traffic, large quantities of fine and ultrafine particles (UFPs ? 100 nm) are emitted by residential wood combustion. Polycyclic aromatic hydrocarbon (PAH) and soot-rich emissions from small scale heating appliances have been linked with a plethora of toxicological effects. Recently, new technology appliances have been introduced into use although there are several uncertainties related to the toxicological properties of those emissions. In this study, PM1 (PM ? 1 ?m) emissions from three different biomass combustion situations were compared. PM samples were produced in a novel adjustable biomass combustion reactor to avoid the problems encountered if one uses different appliances to generate the desired combustion conditions. The combustion conditions represented efficient, intermediate and smoldering situations. The concentration related effects of the particles (15, 50,150 and 300 ?g ml-1) were investigated in a RAW264.7 macrophage cell line after 24 h' exposure. We analyzed cellular metabolic activity, cell cycle, and indicators of genotoxicty, oxidative stress and proinflammatory responses. Interestingly, the particles collected from smoldering and intermediate combustion conditions decreased cellular metabolic activity less than those from efficient combustion (10-fold difference). However, the samples from intermediate and smoldering combustion evoked greater DNA damage in the comet assay (2.5-fold difference). In contrast, only the particulate samples from efficient combustion triggered G2-cell cycle arrest and oxidative stress in the macrophages. These results indicate that ash rich PM emissions from appliances with almost complete combustion may still exert health impacts. However, particulate emissions from efficient combustion were small when compared to the two other situations. Thus, even with their faults and the obvious need for development, consumers should be encouraged to purchase efficient combustion devices in order to reduce exposure to PM induced adverse health effects.

  9. VOC emissions from residential combustion of Southern and mid-European woods

    NASA Astrophysics Data System (ADS)

    Evtyugina, Margarita; Alves, Célia; Calvo, Ana; Nunes, Teresa; Tarelho, Luís; Duarte, Márcio; Prozil, Sónia O.; Evtuguin, Dmitry V.; Pio, Casimiro

    2014-02-01

    Emissions of trace gases (carbon dioxide (CO2), carbon monoxide (CO), total hydrocarbons (THC)), and volatile organic compounds (VOCs) from combustion of European beech, Pyrenean oak and black poplar in a domestic woodstove and fireplace were studied. These woods are widely used as biofuel in residential combustion in Southern and mid-European countries. VOCs in the flue gases were collected in Tedlar bags, concentrated in sorbent tubes and analysed by thermal desorption-gas chromatography-flame ionisation detection (GC-FID). CO2 emissions ranged from 1415 ± 136 to 1879 ± 29 g kg-1 (dry basis). The highest emission factors for CO and THC, 115.8 ± 11.7 and 95.6 24.7 ± 6.3 g kg-1 (dry basis), respectively, were obtained during the combustion of black poplar in the fireplace. European beech presented the lowest CO and THC emission factors for both burning appliances. Significant differences in emissions of VOCs were observed among wood species burnt and combustion devices. In general the highest emission factors were obtained from the combustion of Pyrenean oak in the woodstove. Among the VOCs identified, benzene and related compounds were always the most abundant group, followed by oxygenated compounds and aliphatic hydrocarbons. The amount and the composition of emitted VOCs were strongly affected by the wood composition, the type of burning device and operating conditions. Emission data obtained in this work are useful for modelling the impact of residential wood combustion on air quality and tropospheric ozone formation.

  10. Cumulative Exposure Assessment for Trace-Level Polycyclic Aromatic Hydrocarbons (PAHs) using Human Blood and Plasma Analysis

    EPA Science Inventory

    Humans experience chronic cumulative trace-level exposure to mixtures of volatile, semi-volatile, and non-volatile polycyclic aromatic hydrocarbons (PAHs) present in the environment as by-products of combustion processes. Certain PAHs are known or suspected human carcinogens and ...

  11. Kinetics of in situ combustion. SUPRI TR 91

    SciTech Connect

    Mamora, D.D.; Ramey, H.J. Jr.; Brigham, W.E.; Castanier, L.M.

    1993-07-01

    Oxidation kinetic experiments with various crude oil types show two reaction peaks at about 250{degree}C (482{degree}F) and 400{degree}C (725{degree}F). These experiments lead to the conclusion that the fuel during high temperature oxidation is an oxygenated hydrocarbon. A new oxidation reaction model has been developed which includes two partially-overlapping reactions: namely, low-temperature oxidation followed by high-temperature oxidation. For the fuel oxidation reaction, the new model includes the effects of sand grain size and the atomic hydrogen-carbon (H/C) and oxygen-carbon (O/C) ratios of the fuel. Results based on the new model are in good agreement with the experimental data. Methods have been developed to calculate the atomic H/C and O/C ratios. These methods consider the oxygen in the oxygenated fuel, and enable a direct comparison of the atomic H/C ratios obtained from kinetic and combustion tube experiments. The finding that the fuel in kinetic tube experiments is an oxygenated hydrocarbon indicates that oxidation reactions are different in kinetic and combustion tube experiments. A new experimental technique or method of analysis will be required to obtain kinetic parameters for oxidation reactions encountered in combustion tube experiments and field operations.

  12. Ignition and combustion of bulk metals in a microgravity environment

    NASA Technical Reports Server (NTRS)

    Branch, Melvyn C.; Daily, J. W.; Abbud-Madrid, Angel

    1994-01-01

    Knowledge of the oxidation, ignition, and combustion of bulk metals is important for fire safety in the production, management, and utilization of liquid and gaseous oxygen for ground based and space applications. This report summarizes research under NASA support to investigate the ignition and combustion characteristics of bulk metals under varying gravity conditions. Metal ignition and combustion have not been studied previously under these conditions and the results are important not only for improved fire safety but also to increase knowledge of basic ignition and combustion mechanisms. The studies completed to date have led to the development of a clean and reproducible ignition source and diagnostic techniques for combustion measurements and have provided normal gravity combustion data on ten different pure metals. Metal specimens were ignited using a xenon short-arc lamp and measurements were made of the radiant energy flux, surface temperature history, spectroscopy of surface and gas products, and surface morphology and chemistry. Elevated gravity was provided by the University of Colorado Geotechnical Centrifuge.

  13. Ames Hybrid Combustion Facility

    NASA Technical Reports Server (NTRS)

    Zilliac, Greg; Karabeyoglu, Mustafa A.; Cantwell, Brian; Hunt, Rusty; DeZilwa, Shane; Shoffstall, Mike; Soderman, Paul T.; Bencze, Daniel P. (Technical Monitor)

    2003-01-01

    The report summarizes the design, fabrication, safety features, environmental impact, and operation of the Ames Hybrid-Fuel Combustion Facility (HCF). The facility is used in conducting research into the scalability and combustion processes of advanced paraffin-based hybrid fuels for the purpose of assessing their applicability to practical rocket systems. The facility was designed to deliver gaseous oxygen at rates between 0.5 and 16.0 kg/sec to a combustion chamber operating at pressures ranging from 300 to 900. The required run times were of the order of 10 to 20 sec. The facility proved to be robust and reliable and has been used to generate a database of regression-rate measurements of paraffin at oxygen mass flux levels comparable to those of moderate-sized hybrid rocket motors.

  14. Internal combustion engine

    DOEpatents

    Baker, Quentin A. (P.O. Box 6477, San Antonio, TX 78209); Mecredy, Henry E. (1630-C W. 6th, Austin, TX 78703); O'Neal, Glenn B. (6503 Wagner Way, San Antonio, TX 78256)

    1991-01-01

    An improved engine is provided that more efficiently consumes difficult fuels such as coal slurries or powdered coal. The engine includes a precombustion chamber having a portion thereof formed by an ignition plug. The precombustion chamber is arranged so that when the piston is proximate the head, the precombustion chamber is sealed from the main cylinder or the main combustion chamber and when the piston is remote from the head, the precombustion chamber and main combustion chamber are in communication. The time for burning of fuel in the precombustion chamber can be regulated by the distance required to move the piston from the top dead center position to the position wherein the precombustion chamber and main combustion chamber are in communication.

  15. Thermodynamics and combustion modeling

    NASA Technical Reports Server (NTRS)

    Zeleznik, Frank J.

    1986-01-01

    Modeling fluid phase phenomena blends the conservation equations of continuum mechanics with the property equations of thermodynamics. The thermodynamic contribution becomes especially important when the phenomena involve chemical reactions as they do in combustion systems. The successful study of combustion processes requires (1) the availability of accurate thermodynamic properties for both the reactants and the products of reaction and (2) the computational capabilities to use the properties. A discussion is given of some aspects of the problem of estimating accurate thermodynamic properties both for reactants and products of reaction. Also, some examples of the use of thermodynamic properties for modeling chemically reacting systems are presented. These examples include one-dimensional flow systems and the internal combustion engine.

  16. Hybrid rocket combustion study

    NASA Technical Reports Server (NTRS)

    Strand, L. D.; Ray, R. L.; Cohen, N. S.

    1993-01-01

    The objectives of this study of 'pure' or 'classic' hybrids are to (1) extend our understanding of the boundary layer combustion process and the critical engineering parameters that define this process, (2) develop an up-to-date hybrid fuel combustion model, and (3) apply the model to correlate the regression rate and scaling properties of potential fuel candidates. Tests were carried out with a hybrid slab window motor, using several diagnostic techniques, over a range of motor pressure and oxidizer mass flux conditions. The results basically confirmed turbulent boundary layer heat and mass transfer as the rate limiting process for hybrid fuel decomposition and combustion. The measured fuel regression rates showed good agreement with the analytical model predictions. The results of model scaling calculations to Shuttle SRM size conditions are presented.

  17. Droplet Combustion Experiment

    NASA Technical Reports Server (NTRS)

    2003-01-01

    The Droplet Combustion Experiment (DCE) was designed to investigate the fundamental combustion aspects of single, isolated droplets under different pressures and ambient oxygen concentrations for a range of droplet sizes varying between 2 and 5 mm. The DCE principal investigator was Forman Williams, University of California, San Diego. The experiment was part of the space research investigations conducted during the Microgravity Science Laboratory-1 mission (STS-83, April 4-8 1997; the shortened mission was reflown as MSL-1R on STS-94). Advanced combustion experiments will be a part of investigations plarned for the International Space Station. (199KB JPEG, 1311 x 1477 pixels; downlinked video, higher quality not available) The MPG from which this composite was made is available at http://mix.msfc.nasa.gov/ABSTRACTS/MSFC-0300165.html.

  18. Droplet Combustion Experiment

    NASA Technical Reports Server (NTRS)

    2003-01-01

    The Droplet Combustion Experiment (DCE) was designed to investigate the fundamental combustion aspects of single, isolated droplets under different pressures and ambient oxygen concentrations for a range of droplet sizes varying between 2 and 5 mm. The DCE principal investigator was Forman Williams, University of California, San Diego. The experiment was part of the space research investigations conducted during the Microgravity Science Laboratory-1R mission (STS-94, July 1-17 1997). Advanced combustion experiments will be a part of investigations plarned for the International Space Station. (120KB JPEG, 655 x 736 pixels; downlinked video, higher quality not available) The MPG from which this composite was made is available at http://mix.msfc.nasa.gov/ABSTRACTS/MSFC-0300167.html.

  19. Fluidized-bed combustion

    SciTech Connect

    Botros, P E

    1990-04-01

    This report describes the activities of the Morgantown Energy Technology Center's research and development program in fluidized-bed combustion from October 1, 1987, to September 30, 1989. The Department of Energy program involves atmospheric and pressurized systems. Demonstrations of industrial-scale atmospheric systems are being completed, and smaller boilers are being explored. These systems include vortex, multi-solid, spouted, dual-sided, air-cooled, pulsed, and waste-fired fluidized-beds. Combustion of low-rank coal, components, and erosion are being studied. In pressurized combustion, first-generation, combined-cycle power plants are being tested, and second-generation, advanced-cycle systems are being designed and cost evaluated. Research in coal devolatilization, metal wastage, tube corrosion, and fluidization also supports this area. 52 refs., 24 figs., 3 tabs.

  20. Droplet Combustion Experiment movie

    NASA Technical Reports Server (NTRS)

    2003-01-01

    The Droplet Combustion Experiment (DCE) was designed to investigate the fundamental combustion aspects of single, isolated droplets under different pressures and ambient oxygen concentrations for a range of droplet sizes varying between 2 and 5 mm. The DCE principal investigator was Forman Williams, University of California, San Diego. The experiment was part of the space research investigations conducted during the Microgravity Science Laboratory-1 mission (STS-83, April 4-8 1997; the shortened mission was reflown as MSL-1R on STS-94). Advanced combustion experiments will be a part of investigations plarned for the International Space Station. (1.1 MB, 12-second MPEG, screen 320 x 240 pixels; downlinked video, higher quality not available)A still JPG composite of this movie is available at http://mix.msfc.nasa.gov/ABSTRACTS/MSFC-0300164.html.

  1. Combustion kinetics and reaction pathways

    SciTech Connect

    Klemm, R.B.; Sutherland, J.W.

    1993-12-01

    This project is focused on the fundamental chemistry of combustion. The overall objectives are to determine rate constants for elementary reactions and to elucidate the pathways of multichannel reactions. A multitechnique approach that features three independent experiments provides unique capabilities in performing reliable kinetic measurements over an exceptionally wide range in temperature, 300 to 2500 K. Recent kinetic work has focused on experimental studies and theoretical calculations of the methane dissociation system (CH{sub 4} + Ar {yields} CH{sub 3} + H + Ar and H + CH{sub 4} {yields} CH{sub 3} + H{sub 2}). Additionally, a discharge flow-photoionization mass spectrometer (DF-PIMS) experiment is used to determine branching fractions for multichannel reactions and to measure ionization thresholds of free radicals. Thus, these photoionization experiments generate data that are relevant to both reaction pathways studies (reaction dynamics) and fundamental thermochemical research. Two distinct advantages of performing PIMS with high intensity, tunable vacuum ultraviolet light at the National Synchrotron Light Source are high detection sensitivity and exceptional selectivity in monitoring radical species.

  2. COMBUSTION EFFICIENCY OF FLARES

    EPA Science Inventory

    The paper gives results of a study to provide data on industrial flare emissions. (Emissions of incompletely burned hydrocarbons from industrial flares may contribute to air pollution. Available data on flare emissions are sparse, and methods to sample operating flares are unavai...

  3. Thermal ignition combustion system

    DOEpatents

    Kamo, R.; Kakwani, R.M.; Valdmanis, E.; Woods, M.E.

    1988-04-19

    The thermal ignition combustion system comprises means for providing walls defining an ignition chamber, the walls being made of a material having a thermal conductivity greater than 20 W/m C and a specific heat greater than 480 J/kg C with the ignition chamber being in constant communication with the main combustion chamber, means for maintaining the temperature of the walls above a threshold temperature capable of causing ignition of a fuel, and means for conducting fuel to the ignition chamber. 8 figs.

  4. Thermal ignition combustion system

    DOEpatents

    Kamo, Roy (Columbus, IN); Kakwani, Ramesh M. (Columbus, IN); Valdmanis, Edgars (Columbus, IN); Woods, Melvins E. (Columbus, IN)

    1988-01-01

    The thermal ignition combustion system comprises means for providing walls defining an ignition chamber, the walls being made of a material having a thermal conductivity greater than 20 W/m.degree. C. and a specific heat greater than 480 J/kg.degree. C. with the ignition chamber being in constant communication with the main combustion chamber, means for maintaining the temperature of the walls above a threshold temperature capable of causing ignition of a fuel, and means for conducting fuel to the ignition chamber.

  5. Conditional moment closure for two-phase flows - A review of recent developments and application to various spray combustion configurations

    NASA Astrophysics Data System (ADS)

    Wright, Y. M.; Bolla, M.; Boulouchos, K.; Borghesi, G.; Mastorakos, E.

    2015-01-01

    Energy conversion devices of practical interest such as engines or combustors operate in highly turbulent flow regimes. Due to the nature of the hydrocarbon fuels employed, the oxidation chemistry involves a broad range of time-scales some of which cannot be decoupled from the flow. Among the approaches utilised to tackle the modelling of turbulent combustion, Conditional Moment Closure (CMC), belonging to the computationally efficient class of presumed PDF methods, has shown great potential. For single-phase flows it has been demonstrated on non-premixed turbulent lifted and opposed jets, lifted flames and auto-igniting jets. Here we seek to review recent advances in both modelling and application of CMC for auto-ignition of fuel sprays. The experiments chosen for code validation and model improvement include generic spray test rigs with dimensions of passenger car as well as large two-stroke marine engines. Data for a broad range of operating conditions of a heavy-duty truck engine is additionally employed to assess the predictive capability of the model with respect to NOx emissions. An outlook on future enhancements including e.g. LES-CMC formulation also for two-phase flows as well as developments in the field of soot emissions are summarised briefly.

  6. Polycyclic aromatic hydrocarbon molecules in astrophysics

    NASA Astrophysics Data System (ADS)

    Rastogi, Shantanu; Pathak, Amit; Maurya, Anju

    2013-06-01

    Polycyclic aromatic hydrocarbon (PAH) molecules are responsible for the mid-infrared emission features. Their ubiquitous presence in almost all types of astrophysical environments and related variations in their spectral profilesmake them an important tool to understand the physics and chemistry of the interstellar medium. The observed spectrum is generally a composite superposition of all different types of PAHs possible in the region. In the era of space telescopes the spectral richness of the emission features has enhanced their importance as probe and also the need to understand the variations with respect to PAH size, type and ionic state. Quantum computational studies of PAHs have proved useful in elucidating the profile variations and put constraints on the possible types of PAHs in different environments. The study of PAHs has also significantly contributed to the problems of diffuse interstellar bands (DIBs), UV extinction and understanding the chemistry of the formation of complex organics in space. The review highlights the results of various computational models for the understanding of infrared emission features, the PAH-DIB relation, formation of prebiotics and possible impact in the understanding of far-infrared features.

  7. Evaluation of a hybrid kinetics/mixing-controlled combustion model for turbulent premixed and diffusion combustion using KIVA-2

    NASA Technical Reports Server (NTRS)

    Nguyen, H. Lee; Wey, Ming-Jyh

    1990-01-01

    Two dimensional calculations were made of spark ignited premixed-charge combustion and direct injection stratified-charge combustion in gasoline fueled piston engines. Results are obtained using kinetic-controlled combustion submodel governed by a four-step global chemical reaction or a hybrid laminar kinetics/mixing-controlled combustion submodel that accounts for laminar kinetics and turbulent mixing effects. The numerical solutions are obtained by using KIVA-2 computer code which uses a kinetic-controlled combustion submodel governed by a four-step global chemical reaction (i.e., it assumes that the mixing time is smaller than the chemistry). A hybrid laminar/mixing-controlled combustion submodel was implemented into KIVA-2. In this model, chemical species approach their thermodynamics equilibrium with a rate that is a combination of the turbulent-mixing time and the chemical-kinetics time. The combination is formed in such a way that the longer of the two times has more influence on the conversion rate and the energy release. An additional element of the model is that the laminar-flame kinetics strongly influence the early flame development following ignition.

  8. Evaluation of a hybrid kinetics/mixing-controlled combustion model for turbulent premixed and diffusion combustion using KIVA-II

    NASA Technical Reports Server (NTRS)

    Nguyen, H. Lee; Wey, Ming-Jyh

    1990-01-01

    Two-dimensional calculations were made of spark ignited premixed-charge combustion and direct injection stratified-charge combustion in gasoline fueled piston engines. Results are obtained using kinetic-controlled combustion submodel governed by a four-step global chemical reaction or a hybrid laminar kinetics/mixing-controlled combustion submodel that accounts for laminar kinetics and turbulent mixing effects. The numerical solutions are obtained by using KIVA-2 computer code which uses a kinetic-controlled combustion submodel governed by a four-step global chemical reaction (i.e., it assumes that the mixing time is smaller than the chemistry). A hybrid laminar/mixing-controlled combustion submodel was implemented into KIVA-2. In this model, chemical species approach their thermodynamics equilibrium with a rate that is a combination of the turbulent-mixing time and the chemical-kinetics time. The combination is formed in such a way that the longer of the two times has more influence on the conversion rate and the energy release. An additional element of the model is that the laminar-flame kinetics strongly influence the early flame development following ignition.

  9. Heat regenerative external combustion engine

    NASA Astrophysics Data System (ADS)

    Duva, Anthony W.

    1993-03-01

    It is an object of the invention to provide an external combustion expander-type engine having improved efficiency. It is another object of the invention to provide an external combustion engine in which afterburning in the exhaust channel is substantially prevented. Yet another object of the invention is to provide an external combustion engine which is less noisy than an external combustion engine of conventional design. These and other objects of the invention will become more apparent from the following description. The above objects of the invention are realized by providing a heat regenerative external combustion engine. The heat regenerative external combustion engine of the invention comprises a combustion chamber for combusting a monopropellant fuel in order to form an energized gas. The energized gas is then passed through a rotary valve to a cylinder having a reciprocating piston disposed therein. The gas is spent in moving the piston, thereby driving a drive shaft.

  10. Combuster. [low nitrogen oxide formation

    NASA Technical Reports Server (NTRS)

    Mckay, R. A. (inventor)

    1978-01-01

    A combuster is provided for utilizing a combustible mixture containing fuel and air, to heat a load fluid such as water or air, in a manner that minimizes the formation of nitrogen oxide. The combustible mixture passes through a small diameter tube where the mixture is heated to its combustion temperature, while the load fluid flows past the outside of the tube to receive heat. The tube is of a diameter small enough that the combustible mixture cannot form a flame, and yet is not subject to wall quench, so that combustion occurs, but at a temperature less than under free flame conditions. Most of the heat required for heating the combustible mixture to its combustion temperature, is obtained from heat flow through the walls of the pipe to the mixture.

  11. 75 FR 3881 - Combustible Dust

    Federal Register 2010, 2011, 2012, 2013, 2014

    2010-01-25

    ...OSHA invites interested parties to participate in informal stakeholder meetings on the workplace hazards of combustible dust. OSHA plans to use the information gathered at these meetings in developing a proposed standard for combustible...

  12. Toxicology of Biodiesel Combustion products

    EPA Science Inventory

    1. Introduction The toxicology of combusted biodiesel is an emerging field. Much of the current knowledge about biological responses and health effects stems from studies of exposures to other fuel sources (typically petroleum diesel, gasoline, and wood) incompletely combusted. ...

  13. MUNICIPAL WASTEWATER SLUDGE COMBUSTION TECHNOLOGY

    EPA Science Inventory

    The publication describes and evaluates the various municipal sludge combustion systems. It also emphasizes the necessity for considering and evaluating the costs involved in the total sludge management train, including dewatering, combustion, air pollution control, and ash dispo...

  14. Combustion kinetics of coal dust

    SciTech Connect

    Sal`nikov, A.V.; Repic, B.S.; Radulovic, P.T.; Jovanovic, L.L.

    1995-10-01

    A method for determining parameters that are important for the combustion kinetics of coal dust is developed. Values of these parameters for six types of lignite are obtained from experimental results on combustion of coal dust in a laboratory furnace.

  15. 75 FR 32142 - Combustible Dust

    Federal Register 2010, 2011, 2012, 2013, 2014

    2010-06-07

    ...ACTION: Notice of combustible dust Web Chat...interested parties to participate in a Web Chat on the workplace hazards of combustible...information gathered in response to this Web Chat in developing a proposed standard for...

  16. Packed Bed Combustion: An Overview

    E-print Network

    Hallett, William L.H.

    , this was the main means of burning coal, wood, coke and charcoal - up to 7 tons/hr (. 50MW heat release (radiative/kinetic) - for 3.2cm coke particles (carbon combustion only) #12;Packed Bed Combustion

  17. 75 FR 32142 - Combustible Dust

    Federal Register 2010, 2011, 2012, 2013, 2014

    2010-06-07

    ...OSHA invites interested parties to participate in a Web Chat on the workplace hazards of combustible dust. OSHA plans to use the information gathered in response to this Web Chat in developing a proposed standard for combustible...

  18. Particle in a Disk: A Spectroscopic and Computational Laboratory Exercise Studying the Polycyclic Aromatic Hydrocarbon Corannulene

    ERIC Educational Resources Information Center

    Frey, E. Ramsey; Sygula, Andrzej; Hammer, Nathan I.

    2014-01-01

    This laboratory exercise introduces undergraduate chemistry majors to the spectroscopic and theoretical study of the polycyclic aromatic hydrocarbon (PAH), corannulene. Students explore the spectroscopic properties of corannulene using UV-vis and Raman vibrational spectroscopies. They compare their experimental results to simulated vibrational…

  19. STABLE CARBON ISOTOPE BIOGEOCHEMISTRY OF A SHALLOW SAND AQUIFER CONTAMINATED WITH FUEL HYDROCARBONS

    EPA Science Inventory

    Ground-water chemistry and the stable C isotope composition ( 13CDIC) of dissolved C (DIC) were measured in a sand aquifer contaminated with JP-4 fuel hydrocarbons. Results show that ground water in the upgradient zone was characterized by DIC content of 14-20 mg C/L and 13CDIC...

  20. Swirling jet turbulent mixing and combustion computations

    NASA Technical Reports Server (NTRS)

    Rubel, A.

    1973-01-01

    Computations are presented describing the mixing and combustion of swirling jets in a coaxial stream. It is demonstrated that the boundary layer equations represent the flow reasonably well until reversed flow is imminent. For the range of parameters investigated indications are that the edge velocity has little effect on the behavior of the flow. Furthermore, confining the flow with a constant pressure wall, or impressing a favorable pressure gradient on the coaxial flow, acts to reduce the severity of the centerline adverse pressure gradient created by the swirl decay. A simple scalar eddy viscosity model, including a potential core formulation, is shown to described the behavior of weak swirling flow in the far region but is only in fair agreement with observations in the near region. The effects of swirl on a burning hydrocarbon jet exhausting into a cold coaxial stream are shown to be intensified by the reduction of the density due to combustion. The enhanced mixing properties of high swirl flow produce rapid diffusion of the burning gases into the cold edge flow causing early cessation of the NO producing reactions. Computations show that doubling the initial jet swirl could reduce the NO production by 25 percent.