Science.gov

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. Hydrocarbon radical thermochemistry: Gas-phase ion chemistry techniques

    SciTech Connect

    Ervin, Kent M.

    2014-03-21

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

  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. Combustion chemistry via metadynamics: benzyl decomposition revisited.

    PubMed

    Polino, Daniela; Parrinello, Michele

    2015-02-12

    Large polycyclic aromatic hydrocarbons (PAHs) are thought to be responsible for the formation of soot particles in combustion processes. However, there are still uncertainties on the course that leads small molecules to form PAHs. This is largely due to the high number of reactions and intermediates involved. Metadynamics combined with ab initio molecular dynamics can provide a very precious contribution because offers the possibility to explore new possible pathways and suggest new mechanisms. Here, we adopt this method to investigate the chemical evolution of the benzyl radical, whose role is very important in PAHs growth. This species has been intensely studied, and though most of its chemistry is known, there are still open questions regarding its decomposition. The simulation reproduces the most commonly accepted decomposition pathway and it suggests also a new one which can explain recent experimental data that are in contradiction with the old mechanism. In addition, quantitative free energy evaluation of some key reaction steps sheds light on the role of entropy.

  9. 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.

  10. Atmospheric hydrocarbon chemistry in central Texas

    NASA Astrophysics Data System (ADS)

    Wittig, Ann Elizabeth

    Hydrocarbon chemistry plays a central role in the determination of the concentrations of ozone, nitrogen oxides and particulate matter in the ambient troposphere. Many years of research have led to a preliminary understanding of the complex chemistry of the thousands of hydrocarbons that are emitted into the atmosphere by biogenic and anthropogenic sources. However, much remains unresolved. This thesis will address several of the unresolved issues in the complex hydrocarbon chemistry that occurs in urban atmospheres. The first portion of this thesis reports atmospheric concentrations of hydrocarbons in Central Texas. These concentrations were compared to hydrocarbon concentrations observed in other urban areas. Probable sources of atmospheric hydrocarbons within Central Texas were identified from spatially resolved hydrocarbon emission inventories. These measurements and identified probable sources suggest the second major portion of the thesis: an analysis of one of the most commonly used source resolution tools, the Chemical Mass Balance (CMB) method. CMB uses linear algebra to identify the sources and source strengths of hydrocarbons in ambient air samples. However, there are several assumptions made by the model to accomplish this task, and these assumptions are believed to impair the model's accuracy. Therefore, the second portion of the thesis characterized the uncertainties associated with the accuracy of CMB, particularly when it was applied to ambient data from Southeast Texas. A multistage box model was constructed to simulate ambient hydrocarbon concentrations in Houston. The box model simulated the inputs of hydrocarbon sources into a hypothetical air mass, while accounting for the unique reactivities of each of the modeled hydrocarbons. The CMB tool was then applied to the data generated by the box model and used to estimate source strengths. The source strengths estimated by CMB were compared to the original inputs to the model. The results indicated

  11. 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.

  12. Oxygen/hydrocarbon combustion devices technology

    NASA Technical Reports Server (NTRS)

    Bailey, C. R.

    1985-01-01

    A program was conducted to investigate ignition, combustion and heat transfer characteristics of liquid oxygen and RP-1 fuel applicable to large gas generator cycle booster engines. The program was part of a broad effort intended to generate a combustion devices technology base for both RP-1 and methane fuels and both gas generator and staged combustion engine cycles. Two gas generator injector designs were tested over a chamber pressure range of 1500 to 3100 psia and a gas temperature range of 1500 to 2300 R. Both configurations were evaluated for combustion efficiency, gas temperature profile and combustion stability. Thrust chamber firings were conducted using a platelet type main injector and a water cooled calorimeter combustion chamber. Test conditions ranged from 1700 to 2200 psia chamber pressure and from 2.0 to 2.8 mixture ratio. A program goal to reduce previously measured nozzle heating rates was achieved, but at the expense of combustion efficiency.

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

    DOE Data Explorer

    The central feature of the Combustion Chemistry project at LLNL is the development, validation, and application of detailed chemical kinetic reaction mechanisms for the combustion of hydrocarbon and other types of chemical fuels. For the past 30 years, LLNL's Chemical Sciences Division has built hydrocarbon mechanisms for fuels from hydrogen and methane through much larger fuels including heptanes and octanes. Other classes of fuels for which models have been developed include flame suppressants such as halons and organophosphates, and air pollutants such as soot and oxides of nitrogen and sulfur. 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.

  14. 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.

  15. 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.

  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. Relevance and Significance of Extraterrestrial Abiological Hydrocarbon Chemistry.

    PubMed

    Olah, George A; Mathew, Thomas; Prakash, G K Surya

    2016-06-01

    Astrophysical observations show similarity of observed abiological "organics"-i.e., hydrocarbons, their derivatives, and ions (carbocations and carbanions)-with studied terrestrial chemistry. Their formation pathways, their related extraterrestrial hydrocarbon chemistry originating from carbon and other elements after the Big Bang, their parent hydrocarbon and derivative (methane and methanol, respectively), and transportation of derived building blocks of life by meteorites or comets to planet Earth are discussed in this Perspective. Their subsequent evolution on Earth under favorable "Goldilocks" conditions led to more complex molecules and biological systems, and eventually to humans. The relevance and significance of extraterrestrial hydrocarbon chemistry to the limits of science in relation to the physical aspects of evolution on our planet Earth are also discussed.

  19. Relevance and Significance of Extraterrestrial Abiological Hydrocarbon Chemistry.

    PubMed

    Olah, George A; Mathew, Thomas; Prakash, G K Surya

    2016-06-01

    Astrophysical observations show similarity of observed abiological "organics"-i.e., hydrocarbons, their derivatives, and ions (carbocations and carbanions)-with studied terrestrial chemistry. Their formation pathways, their related extraterrestrial hydrocarbon chemistry originating from carbon and other elements after the Big Bang, their parent hydrocarbon and derivative (methane and methanol, respectively), and transportation of derived building blocks of life by meteorites or comets to planet Earth are discussed in this Perspective. Their subsequent evolution on Earth under favorable "Goldilocks" conditions led to more complex molecules and biological systems, and eventually to humans. The relevance and significance of extraterrestrial hydrocarbon chemistry to the limits of science in relation to the physical aspects of evolution on our planet Earth are also discussed. PMID:27045758

  20. Combustion Chemistry Diagnostics for Cleaner Processes.

    PubMed

    Kohse-Höinghaus, Katharina

    2016-09-12

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

  1. Combustion Chemistry Diagnostics for Cleaner Processes.

    PubMed

    Kohse-Höinghaus, Katharina

    2016-09-12

    Climate change, environmental problems, urban pollution, and the dependence on fossil fuels demand cleaner, renewable energy strategies. However, they also ask for urgent advances in combustion science to reduce emissions. For alternative fuels and new combustion regimes, crucial information about the chemical reactions from fuel to exhaust remains lacking. Understanding such relations between combustion process, fuel, and emissions needs reliable experimental data from a wide range of conditions to provide a firm basis for predictive modeling of practical combustion processes. PMID:27440049

  2. The chemistry of hydrocarbon ions in the Jovian ionosphere

    NASA Technical Reports Server (NTRS)

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

    1994-01-01

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

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

    SciTech Connect

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

    2001-02-06

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

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

    NASA Astrophysics Data System (ADS)

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

    2016-10-01

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

  5. Investigation of the combustion kinetics and polycyclic aromatic hydrocarbon emissions from polycaprolactone combustion.

    PubMed

    Chien, Y C; Yang, S H

    2013-01-01

    Polycaprolactone (PCL) is one of the most attractive biodegradable plastics that has been widely used in medicine and agriculture fields. Because of the large increase in biodegradable plastics usage, the production of waste biodegradable plastics will be increasing dramatically, producing a growing environmental problem. Generally, waste PCL is collected along with municipal solid wastes and then incinerated. This study investigates the combustion kinetics and emission factors of 16 US Environmental Protection Agency (EPA) priority polycyclic aromatic hydrocarbons (PAHs) in the PCL combustion. Experimentally, two reactions are involved in the PCL combustion process, possibly resulting in the emission of carbon dioxide, propanal, protonated caprolactone and very small amounts of PAH produced by incomplete combustion. The intermediate products may continuously be oxidized to form CO2. The emission factors for 16 US EPA priority PAHs are n.d. -2.95 microg/g, which are much lower than those of poly lactic acid and other plastics combustion. The conversion of PCL is 100%. Results from this work suggest that combustion is a good choice for the waste PCL disposal.

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

    NASA Astrophysics Data System (ADS)

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

    2010-09-01

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

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

    PubMed Central

    Atkinson, R; Arey, J

    1994-01-01

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

  8. Laser-induced fluorescence measurement of combustion chemistry intermediates

    NASA Technical Reports Server (NTRS)

    Crosley, David R.

    1986-01-01

    Laser-induced fluorescence (LIF) can measure the trace (often free radical) species encountered as intermediates in combustion chemistry; OH, CS, NH, NS, and NCO are typical of the species detected in flames by LIF. Attention is given to illustrative experiments designed to accumulate a quantitative data base for LIF detection in low pressure flow systems and flames, as well as to flame measurements conducted with a view to the detection of new chemical intermediaries that may deepen insight into the chemistry of combustion.

  9. Parallel Performance of a Combustion Chemistry Simulation

    DOE PAGES

    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.

  10. Calorific values and combustion chemistry of animal manure

    Technology Transfer Automated Retrieval System (TEKTRAN)

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

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

    NASA Astrophysics Data System (ADS)

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

    2016-01-01

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

  12. Novel applications of light hydrocarbons chemistry in petroleum exploration

    SciTech Connect

    Mango, F.D. )

    1991-03-01

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

  13. 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.

  14. 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...

  15. 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.

  16. 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)

  17. 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.

  18. A simplified reaction mechanism for prediction of NO(x) emissions in the combustion of hydrocarbons

    NASA Technical Reports Server (NTRS)

    Kundu, K. P.; Deur, J. M.

    1992-01-01

    A simplified reaction mechanism is developed for the prediction of NO(x) in hydrocarbon combustion. The mechanism uses fewer reacting species and reaction steps than the detailed mechanisms available in the literature and therefore takes less computer time when used in CFD calculations. The mechanism has been used to calculate NO(x) emissions in the combustion of propane. With slight modifications, the same mechanism can be used to calculate NO(x) in the combustion of other hydrocarbons. Results obtained with the simplified reaction are compared with experimental results and results obtained with a detailed kinetic mechanism.

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

    NASA Astrophysics Data System (ADS)

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

    2010-03-01

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

  20. Global simulation of tropospheric O3-NO x -hydrocarbon chemistry: 1. Model formulation

    NASA Astrophysics Data System (ADS)

    Wang, Yuhang; Jacob, Daniel J.; Logan, Jennifer A.

    1998-05-01

    We describe a global three-dimensional model for tropospheric O3-NOx-hydrocarbon chemistry with synoptic-scale resolution. A suite of 15 chemical tracers, including O3, NOx, PAN, HNO3, CO, H2O2, and various hydrocarbons, is simulated in the model. For computational expediency, chemical production and loss of tracers are parameterized as polynomial functions to fit the results of a detailed O3-NOx-hydrocarbon mechanism. The model includes state-of-the-art inventories of anthropogenic emissions and process-based formulations of natural emissions and deposition that are tied to the model meteorology. Improvements are made to existing schemes for computing biogenic emissions of isoprene and NO. Our best estimates of global emissions include among others 42 Tg N yr-1 for NOx (21 Tg N yr-1 from fossil fuel combustion, 12 Tg N yr-1 from biomass burning, 6 Tg N yr-1 from soils, and 3 Tg N yr-1 from lightning), and 37 Tg C yr-1 for acetone (1 Tg C yr-1 from industry, 9 Tg C yr-1 from biomass burning, 15 Tg C yr-1 from vegetation, and 12 Tg C yr-1 from oxidation of propane and higher alkanes).

  1. 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

  2. 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

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

    NASA Astrophysics Data System (ADS)

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

    2016-01-01

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

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

    NASA Astrophysics Data System (ADS)

    Mansurov, Z. A.

    2011-01-01

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

  5. Prediction of Carbon Monoxide and Hydrocarbon Emissions in Isooctane HCCI Engine Combustion Using Multi-Zone Simulations

    SciTech Connect

    Flowers, D; Aceves, S M; Martinez-Frias, J; Dibble, R

    2002-05-02

    Homogeneous Charge Compression Ignitions (HCCI) engines show promise as an alternative to Diesel engines, yet research remains: development of practical HCCI engines will be aided greatly by accurate modeling tools. A novel detailed chemical kinetic model that incorporates information from a computational fluid mechanics code has been developed to simulate HCCI combustion. This model very accurately predicts many aspects of the HCCI combustion process. High-resolution computational grids can be used for the fluid mechanics portion of the simulation, but the chemical kinetics portion of the simulation can be reduced to a handful of computational zones (for all previous work 10 zones have been used). While overall this model has demonstrated a very good predictive capability for HCCI combustion, previous simulations using this model have tended to underpredict carbon monoxide emissions by an order of magnitude. A factor in the underprediction of carbon monoxide may be that all previous simulations have been conducted with 10 chemical kinetic zones. The chemistry that results in carbon monoxide emissions is very sensitive to small changes in temperature within the engine. The resolution in temperature is determined directly by the number of zones. This paper investigates how the number of zones (i.e. temperature resolution) affects the model's prediction of hydrocarbon and carbon monoxide emissions in an HCCI engine. Simulations with 10, 20, and 40 chemical kinetic zones have been conducted using a detailed chemical kinetic mechanism (859 species, 3606 reactions) to simulate an isooctane fueled HCCI engine. The results show that 10-zones are adequate to resolve the hydrocarbon emissions, but a greater numbers of zones are required to resolve carbon monoxide emissions. Results are also presented that explore spatial sources of the exhaust emissions within the HCCI engine combustion chamber.

  6. 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.

  7. 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)

  8. 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.

  9. 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.

  10. 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.

  11. Combustion characteristics of high-energy/high-density hydrocarbon compounds

    SciTech Connect

    Segal, C.; Friedauer, M.J.; Udaykumar, H.S.; Shyy, W.

    1996-12-31

    The combustion characteristics of PCU Alkene Dimers (C{sub 22}H{sub 24}) are evaluated as solid fuels in high speed flows, at conditions typical for ramjet operation (i.e., Mach 0.25, stagnation temperature and pressure of 300 K and 150 kPa, respectively). Samples of the dimer are binded into a solid layer with a styrene-polybutadiene copolymer (8% w/w) on the test chamber wall and convectively ignited by a gaseous flame in air. The goals of this research are of both practical and fundamental relevance: (1) determine the ability of the high energy fuel to increase practical devices` performance, (2) quantify and improve the combustion characteristics of the alkene dimers (i.e., ignition, flame stability, particulate formation), (3) investigate the dynamics of the solid-gas interface combustion. To date, ignition times and rates of heat release were measured and the theoretical modelling was initiated. Preliminary results indicate that, in the present configuration, the dimer ignition times fall within the range reported in literature for other solid fuels. Large differences exist among different sets of data due primarily to nonsimilar geometrical configuration of the test. The dimer exhibits substantial rates of heat release in comparison with other solid fuels.

  12. 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

  13. 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

  14. Vacuum ultraviolet photo-physical chemistry of hydrocarbon polymers

    NASA Astrophysics Data System (ADS)

    Truica-Marasescu, Florina-Elena

    The purpose of this study has been to investigate fundamental processes involved in the vacuum ultraviolet (VUV, lambda < 200 nm)-induced modification of polymer surfaces and their physico-chemical properties. It is well known that VUV photons provide an important photochemical contribution during plasma treatments of polymers, for example: ablation of material; crosslinking and chemical modification of the near-surface region can also be performed by VUV irradiation. During the last 30 years, VUV treatments have received increasing attention, due to a few key advantages over their plasma counterparts. These include the possibility of treating commercial polymer films at atmospheric pressure, thereby alleviating the need for expensive vacuum pumps and other auxiliary equipment necessary for continuous low-pressure plasma roll-to-roll treatment of flexible substrates. Another important advantage of VUV photochemistry over plasma is that more specific surface chemistries can be achieved with monochromatic VUV radiation, due to selective (photo-) chemistries both on the solid surface and in the gas phase. The hydrocarbon polymers used for this study were well-characterized low-density polyethylene, LDPE; biaxially-oriented polypropylene, BOPP; polystyrene, PS; and poly(methylmethacrylate), PMMA. Due to the complexity of interactions between VUV photons and polymers, especially when the latter are in a reactive gas, VUV-wavelength-dependent effects on the physico-chemical properties of irradiated polymer surfaces have been investigated under two different set of conditions, namely: VUV exposure in vacuum, and in a reactive atmosphere of low-pressure ammonia, VUV/NH3. In the former case, we investigated wavelength (lambda)-dependent material ablation ("etching") by in-situ quartz crystal microbalance (QCM) measurements, as a function of the irradiation dose, D. Near-surface structural changes (the creation of unsaturation, cross-linking, etc.) and radical

  15. 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.

  16. Plasma Assisted Combustion Mechanism for Hydrogen and Small Hydrocarbons

    NASA Astrophysics Data System (ADS)

    Starikovskiy, Andrey; Aleksandrov, Nikolay

    2015-09-01

    The main mechanisms of nonequilibrium gas excitation and their influence on the ignition and combustion were briefly discussed. Rotational excitation, vibrational excitation, electronic excitation, dissociation by electron impact and ionization were all analyzed, as well as the ways in which the selectivity of the gas excitation in the discharge can be controlled. The model consists of two parts. The first part describes gas excitation by electron impact - rotational, vibrational and electronic states population by pulsed discharges. The second part considers energy relaxation in the plasma (formation of Maxwell-Boltzmann equilibrium across translational, vibrational and electronic degrees of freedom of molecules), quenching and decomposition of excited states, their reactions and recombination - with formation of thermally-equilibrium pool of radicals, which could be considered as initial conditions for any detailed combustion kinetic mechanism. The mechanism was verified against available kinetic data in a wide temperature range. Despite of some lack of knowledge of mechanism details, nonequilibrium plasma demonstrates great potential for controlling ultra-lean, ultra-fast, low-temperature flames and is an extremely promising technology for a very wide range of applications.

  17. 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.

  18. Thermodynamic and transport combustion properties of hydrocarbons with air. Part 4: Compositions corresponding to Rankine temperature schedules in part 3

    NASA Technical Reports Server (NTRS)

    Gordon, S.

    1982-01-01

    The equilibrium compositions corresponding to the thermodynamic and transport combustion properties for a wide range of conditions for the reaction of hydrocarbons with air are presented. The compositions presented correspond to Rankine temperature schedules.

  19. Ammonia chemistry in oxy-fuel combustion of methane

    SciTech Connect

    Mendiara, Teresa; Glarborg, Peter

    2009-10-15

    The oxidation of NH{sub 3} during oxy-fuel combustion of methane, i.e., at high [CO{sub 2}], has been studied in a flow reactor. The experiments covered stoichiometries ranging from fuel rich to very fuel lean and temperatures from 973 to 1773 K. The results have been interpreted in terms of an updated detailed chemical kinetic model. A high CO{sub 2} level enhanced formation of NO under reducing conditions while it inhibited NO under stoichiometric and lean conditions. The detailed chemical kinetic model captured fairly well all the experimental trends. According to the present study, the enhanced CO concentrations and alteration in the amount and partitioning of O/H radicals, rather than direct reactions between N-radicals and CO{sub 2}, are responsible for the effect of a high CO{sub 2} concentration on ammonia conversion. When CO{sub 2} is present as a bulk gas, formation of NO is facilitated by the increased OH/H ratio. Besides, the high CO levels enhance HNCO formation through NH{sub 2}+CO. However, reactions NH{sub 2}+ O to form HNO and NH{sub 2}+H to form NH are inhibited due to the reduced concentration of O and H radicals. Instead reactions of NH{sub 2} with species from the hydrocarbon/methylamine pool preserve reactive nitrogen as reduced species. These reactions reduce the NH{sub 2} availability to form NO by other pathways like via HNO or NH and increase the probability of forming N{sub 2} instead of NO. (author)

  20. 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.

  1. 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.

  2. 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.

  3. 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.

  4. 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.

  5. A Study on NO Reduction Caused by Thermal Cracking Hydrocarbons during Rich Diesel Combustion

    NASA Astrophysics Data System (ADS)

    Noge, Hirofumi; Kidoguchi, Yoshiyuki; Miwa, Kei

    This study tries to investigate the reduction of nitric oxide by thermally cracked hydrocarbons under rich condition during diesel combustion. Experiments using flow reactor system, which follows the chemical process of fuel at high temperature and atmospheric pressure, show that thermal cracking of fuel starts at about 1000K, and lower hydrocarbons mainly composed of C2H4 and CH4 are formed. NO can be reduced when fuel is thermally cracked and oxidized. A larger amount of NO is reduced when thermal cracking hydrocarbons are increased in quantity under rich and high temperature condition. Among decomposed hydrocarbons, C2H4 is easily decomposed and affects deNO mechanism. Chemical kinetic calculation using CHEMKIN III reveals the mechanism. NO is reduced through the reaction of HCCO or CH2 with NO. In these reaction paths, C2H2 is an essential species. The computation also shows that this deNO mechanism can be actualized in the practical diesel combustion.

  6. Diazido alkanes and diazido alkanols as combustion modifiers for liquid hydrocarbon ramjet fuels

    SciTech Connect

    Miller, R.S.

    1986-07-03

    This invention relates to liquid-hydrocarbon jet fuels and more particularly to azido additives to liquid-hydrocarbon ramjet fuels. In most liquid-fueled combustors such as the ramjet, the fuel is directly introduced into the upstream flow section of the combustion chamber in the form of sprays of droplets. These droplets subsequently mix with the external gas, heat up, gasify, combust, and thereby release heat to provide the propulsion energy. It is therefore obvious that the rates of gasification and mixing would closely affect the chemical heat release rate and, consequently, such important performance parameters as combustion efficiency and the tendency to exhibit combustion instability. Accordingly, and object of this invention is to provide a new, improved jet fuel and provide new additives for jet fuels. A further object of this invention is to provide a more-efficient jet fuel and reduce the ignition time for jet fuels. Still, a further object of this invention is to improve the mixing characteristics of the jet-fuel spray.

  7. 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.

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

    NASA Astrophysics Data System (ADS)

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

    2016-03-01

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

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

    NASA Astrophysics Data System (ADS)

    Xin, Yuxuan

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

  10. 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.

  11. Intermediates in the Formation of Aromatics in Hydrocarbon Combustion

    NASA Technical Reports Server (NTRS)

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

    1994-01-01

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

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

    PubMed

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

    2013-07-01

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

  13. Effects of Higher Hydrocarbon Chemistry On Tropospheric Trace Gases and The Yield of Co From Hydrocarbon Oxidation

    NASA Astrophysics Data System (ADS)

    von Kuhlmann, R.; Lawrence, M. G.; Crutzen, P. J.

    Non-methane hydrocarbons are known to be emitted in large amounts from anthro- pogenic and biogenic sources. The impact of these emissions on key tropospheric trace gases, such as O3, CO, NOx, and OH are investigated using the Model of Atmospheric Transport and Chemistry, Max-Planck-Institute for Chemistry version (MATCH-MPIC). This study expands upon previous work by the use of detailed bud- gets in order to elucidate further the underlying mechanisms of the changes. Isoprene alone, which is emitted in large amounts by tropical ecosystems, is found to contribute more than half of the overall effect of hydrocarbons in the tropics. The model's budget- ing capabilities are further used to determine the yield of CO from methane, isoprene and other hydrocarbons. While 92% of methane is converted to CO, the yields for iso- prene and the sum of other hydrocarbons is lower, both being 39% on a per carbon ba- sis. A detailed analysis of the loss-pathways are also presented and show that a major loss occurs through deposition of soluble intermediates of isoprene oxidation, partic- ularly hydroxy-hydroperoxides, which are explicitly treated in the chemical scheme. The results are compared and discussed with previous estimates from the literature, which shows that the uncertainty in CO production is likely significant compared to the uncertainties in the direct emissions.

  14. 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

  15. 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.

  16. Stabilization of hydrocarbon fuel combustion by non-stationary electric field

    NASA Astrophysics Data System (ADS)

    Kozulin, V. S.; Tretyakov, P. K.; Tupikin, A. V.

    2016-10-01

    The research results of a non-stationary weak electric field effect on diffusion combustion of gas hydrocarbons are presented in the paper. The main attention was focused on the study of electric field parameters effect on a flame stabilization. The two field types were considered: pulse-periodic and with variable direction of an electric vector. In the experiments the direct photography and the video shooting were used, as well as the spectrozonal photography of the own flame luminescence (at the wavelengths of excited OH* and CH* radicals emission). It was shown that the stabilization zone tends to the place of the largest electric field strength. The rotation of the electric vector leads to the flame stabilization in the electrodes plane and the local intensification of combustion.

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

    ERIC Educational Resources Information Center

    Hunt, C. B.

    1979-01-01

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

  18. 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.…

  19. 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

  20. 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.

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

    NASA Astrophysics Data System (ADS)

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

    2015-06-01

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

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

    PubMed

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

    2015-01-01

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

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

    SciTech Connect

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

    2010-08-15

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

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

    PubMed Central

    Kolesnichenko, Vladimir L.

    2015-01-01

    A simple experimental method for determination of the resonance energy by measuring the energies of combustion for two isomeric compounds, aromatic 1-tert-butyl-3,5-dimethylbenzene and nonaromatic trans,trans,cis-1,5,9-cyclododecatriene is proposed. Both compounds not only have the same molecular formula, but also contain the same number of sp2 and sp3 carbon atoms. After converting the obtained values into the gas phase heats of combustion and subtracting one value from another, the resulting mean resonance energy of 184 kJ/mol was obtained. The proposed method can be offered as an experiment for an undergraduate physical chemistry lab curriculum. PMID:26997668

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

    EPA Science Inventory

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

  6. Emission 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

  7. 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

  8. 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.

  9. 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.

  10. 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

  11. 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

  12. Standard test method for heat of combustion of hydrocarbon fuels by bomb calorimeter (high-precision method)

    SciTech Connect

    Not Available

    1980-01-01

    This method covers the determination of the heat of combustion of hydrocarbon fuels. It is designed specifically for use with aviation turbine fuels when the permissible difference between duplicate determinations is of the order of 0.1%. It can be used for a wide range of volatile and nonvolatile materials where slightly greater differences in precision can be tolerated. The heat of combustion is determined by burning a weighed sample in an oxygen-bomb calorimeter under controlled conditions. The temperature is measured by means of a platinum resistance thermometer. The heat of combustion is calculated from temperature observations before, during, and after combustion, with proper allowance for thermochemical and heat-transfer corrections. Either isothermal or adiabatic calorimeters may be used. The heat of combustion is a measure of the energy available from a fuel. A knowledge of this value is essential when considering the thermal efficiency of equipment for producing either power or heat.

  13. Complex reaction networks in high temperature hydrocarbon chemistry.

    PubMed

    Mutlay, İbrahim; 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. Nonmethane hydrocarbons in the troposphere - Impact on the odd hydrogen and odd nitrogen chemistry

    NASA Technical Reports Server (NTRS)

    Kasting, James F.; Singh, Hanwant B.

    1986-01-01

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

  15. 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

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

    NASA Astrophysics Data System (ADS)

    Gordon, S.

    1982-07-01

    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.

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

    PubMed

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

    2014-01-01

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

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

    NASA Technical Reports Server (NTRS)

    Gordon, S.

    1982-01-01

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

  19. 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.

  20. 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.

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

    NASA Technical Reports Server (NTRS)

    Richardson, Brian; Kenny, Jeremy

    2015-01-01

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

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

    PubMed

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

    2016-09-15

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

  3. A Two-Zone Multigrid Model for SI Engine Combustion Simulation Using Detailed Chemistry

    DOE PAGES

    Ge, Hai-Wen; Juneja, Harmit; Shi, Yu; Yang, Shiyou; Reitz, Rolf D.

    2010-01-01

    An efficient multigrid (MG) model was implemented for spark-ignited (SI) engine combustion modeling using detailed chemistry. The model is designed to be coupled with a level-set-G-equation model for flame propagation (GAMUT combustion model) for highly efficient engine simulation. The model was explored for a gasoline direct-injection SI engine with knocking combustion. The numerical results using the MG model were compared with the results of the original GAMUT combustion model. A simpler one-zone MG model was found to be unable to reproduce the results of the original GAMUT model. However, a two-zone MG model, which treats the burned and unburned regionsmore » separately, was found to provide much better accuracy and efficiency than the one-zone MG model. Without loss in accuracy, an order of magnitude speedup was achieved in terms of CPU and wall times. To reproduce the results of the original GAMUT combustion model, either a low searching level or a procedure to exclude high-temperature computational cells from the grouping should be applied to the unburned region, which was found to be more sensitive to the combustion model details.« less

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

    PubMed

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

    2012-09-01

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

  5. Investigation and Optimization of Biodiesel Chemistry for HCCI Combustion

    SciTech Connect

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

    2014-06-23

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

  6. Investigation and Optimization of Biodiesel Chemistry for HCCI Combustion

    SciTech Connect

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

    2011-01-01

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

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

    PubMed

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

    2011-04-15

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

  8. 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.

  9. 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.

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

    SciTech Connect

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

    2008-11-13

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

  11. 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.

  12. 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.

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

    NASA Technical Reports Server (NTRS)

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

    1982-01-01

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

  14. Sensitivity Studies of Methane Photolysis and its Impact on Hydrocarbon Chemistry in the Atmosphere of Titan

    NASA Astrophysics Data System (ADS)

    Wilson, E. H.; Atreya, S. K.

    1999-09-01

    The photodissociation of CH4 (methane) at Lyman alpha (1216 { Angstroms}) has been the object of much scrutiny over the past few years. Methane photolysis leads to the formation of H2 molecules as well as H, CH, (1) CH2, (3) CH2, and CH3 radicals which promote the propagation of hydrocarbon chemistry. However, laboratory studies and their interpretation [1,2,3] have not fully resolved the issue of the magnitudes of these product yields at this wavelength. We use a one-dimensional photochemical model with updated chemistry to investigate the significance of these quantum yield schemes on the hydrocarbon chemistry of Titan's atmosphere, where Lyman alpha radiation accounts for 75% of the methane absorption longward of 1000 { Angstroms}. Sensitivity studies [4] show that only the C3H4 isomers (methylacetylene, allene) and C3H6 (propylene) display major variation in atmospheric abundance under the implementation of these schemes, with a variation approximating a factor of five in C3H4 abundance and a factor of four for C3H6. In these cases, our nominal scheme, recommended by Romani [2], offers an intermediate result in comparison with the other schemes. Furthermore, simple hydrocarbons like C2H2 (acetylene) and C2H4 (ethylene), which serve as important intermediates to the formation of more complex hydrocarbons, show virtually no variation in abundance. We also find that the choice of pathway for non-Lyman alpha methane absorption does affect subsequent chemistry in the atmosphere of Titan, but this effect is minimal. A 65% variation in C2H6 (ethane) abundance, a value within observational uncertainty, is the largest divergence found. These results will have significance in future modeling and interpretation of observations of the atmosphere of Titan. REFERENCES: [1] D. H. Mordaunt et al. (1993) J. Chem. Phys., 98, 2054-2065. [2] P. N. Romani (1996) Icarus, 122, 233-241. [3] N. S. Smith and F. Raulin (1999) J. Geophys. Res., 104, 1873-1876. [4] E. H. Wilson and S. K

  15. 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.

  16. 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.

  17. 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.

  18. 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.

  19. The Role of Nitrogen in Titan’s Upper Atmospheric Hydrocarbon Chemistry Over the Solar Cycle

    NASA Astrophysics Data System (ADS)

    Luspay-Kuti, A.; Mandt, K. E.; Westlake, J. H.; Plessis, S.; Greathouse, T. K.

    2016-06-01

    Titan’s thermospheric photochemistry is primarily driven by solar radiation. Similarly to other planetary atmospheres, such as Mars’, Titan’s atmospheric structure is also directly affected by variations in the solar extreme-UV/UV output in response to the 11-year-long solar cycle. Here, we investigate the influence of nitrogen on the vertical production, loss, and abundance profiles of hydrocarbons as a function of the solar cycle. Our results show that changes in the atmospheric nitrogen atomic density (primarily in its ground state N(4S)) as a result of photon flux variations have important implications for the production of several minor hydrocarbons. The solar minimum enhancement of CH3, C2H6, and C3H8, despite the lower CH4 photodissociation rates compared with solar maximum conditions, is explained by the role of N(4S). N(4S) indirectly controls the altitude of termolecular versus bimolecular chemical regimes through its relationship with CH3. When in higher abundance during solar maximum at lower altitudes, N(4S) increases the importance of bimolecular CH3 + N(4S) reactions producing HCN and H2CN. The subsequent remarkable CH3 loss and decrease in the CH3 abundance at lower altitudes during solar maximum affects the overall hydrocarbon chemistry.

  20. 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.

  1. 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.

  2. Compilation of chemical kinetic data for combustion chemistry. Part 2. Non-aromatic C, H, O, N, and S containing compounds (1983)

    SciTech Connect

    Westley, F.; Herron, J.T.; Cvetanovic, R.J.

    1987-12-01

    Chemical-kinetic data for reactions of importance in combustion chemistry are compiled. Experimental, theoretical, evaluated, or estimated rate constants are given for reactions of O, O/sub 3/, H, H/sub 2/, OH, HO/sub 2/, H/sub 2/O, N, N/sub 3/, NO, NO/sub 2/, N/sub 2/O, NH, NH/sub 2/, SH, H/sub 2/S, SO, SO/sub 2/, and the aliphatic, alicyclic, and heterocyclic saturated and unsaturated C1 to C15 hydrocarbons, alcohols, aldehydes, ketones, thiols, ethers, peroxides, amines, amides, and their free radicals. The data were taken from the literature published in 1983. Data omitted from Part 1 of the series, covering the period 1971 to 1982, are also included.

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

    NASA Astrophysics Data System (ADS)

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

    2010-12-01

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

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

    NASA Astrophysics Data System (ADS)

    Gillon, X.; Houssiau, L.

    2014-08-01

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

  5. 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.

  6. Polychlorinated naphthalenes and other chlorinated tricyclic aromatic hydrocarbons emitted from combustion of polyvinylchloride.

    PubMed

    Wang, Dongli; Xu, Xiaobai; Chu, Shaogang; Li, Qing X

    2006-11-16

    Chloronaphthalenes (CNs) and phenanthrenes or/and anthracenes (CP/CAs) were detected in the emissions of polyvinylchloride (PVC) combustion at 900 degrees C. The presence of metallic iron, copper, or aluminum increased the formation of highly chlorinated CNs (tri- to octachloro-homologues) in the PVC combustion process. Total levels of CNs and CP/CAs were 40-48 and 76-116 mg/kg PVC, respectively, in the emissions from combustion of PVC with metals. Monochloronaphthalenes, dichloronaphtahlenes, monochlorophenanthrenes, and monochloroanthracenes were the predominant homologues. The other CN homologues were minor combustion byproducts. Detection of CNs in the PVC combustion emissions suggests that CN formation from solid waste incineration is a source of CNs in the environment. PMID:16982140

  7. Numerical study of supersonic combustion using a finite rate chemistry model

    NASA Technical Reports Server (NTRS)

    Chitsomboon, T.; Tiwari, S. N.; Kumar, A.; Drummond, J. P.

    1986-01-01

    The governing equations of two-dimensional chemically reacting flows are presented together with a global two-step chemistry model for H2-air combustion. The explicit unsplit MacCormack finite difference algorithm is used to advance the discrete system of the governing equations in time until convergence is attained. The source terms in the species equations are evaluated implicitly to alleviate stiffness associated with fast reactions. With implicit source terms, the species equations give rise to a block-diagonal system which can be solved very efficiently on vector-processing computers. A supersonic reacting flow in an inlet-combustor configuration is calculated for the case where H2 is injected into the flow from the side walls and the strut. Results of the calculation are compared against the results obtained by using a complete reaction model.

  8. 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.

  9. 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.

  10. Direct numerical simulation of turbulent H2-O2 combustion using reduced chemistry

    NASA Technical Reports Server (NTRS)

    Montgomery, Christopher J.; Kosaly, George; Riley, James J.

    1993-01-01

    Results of direct numerical simulations of hydrogen-oxygen combustion using a partial-equilibrium chemistry scheme in constant density, decaying, isotropic turbulence are reported. The simulations qualitatively reproduce many features of experimental results, such as superequilibrium radical species mole fractions, with temperature and major species mole fractions closer to chemical equilibrium. It was also observed that the peak reaction rates occur in narrow zones where the stoichiometric surface intersects regions of high scalar dissipation, as might be expected for combustion conditions close to chemical equilibrium. Another finding was that high OH mole fraction correspond more closely to the stoichiometric surface than to areas of high reaction rate for conditions of the simulations. Simulation results were compared to predictions of the Conditional Moment Closure model. This model was found to give good results for all quantities of interest when the conditionally averaged scalar dissipation was used in the prediction. When the nonconditioned average dissipation was used, the predictions compared well to the simulations for most of the species and temperature, but not for the reaction rate. The comparison would be expected to improve for higher Reynolds number flows, however.

  11. 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.

  12. 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.

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

    PubMed Central

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

    2015-01-01

    The paper addresses detailed analysis of kinetic processes in the H2−O2, CO−O2 and CH4−O2-reactive systems upon the presence of singlet oxygen molecules O2(a1Δg) and and the influence of the activation of oxygen molecules in electric discharge on the acceleration of ignition in the H2−O2 and CH4−O2 mixtures. The possibility of the intensification of CO oxidation due to excitation of O2 and N2 molecule vibrations and generation of singlet oxygen molecules is also considered. It is shown that the effect of accelerating the ignition strongly depends on the reduced electric field and, as a consequence, on the composition of discharge plasma as well as on the features of chain mechanism development in oxy-fuel systems. It is revealed that the most effective approach for the intensification of CO oxidation both in the moist air and in the products of hydrocarbon combustion in air is the generation of O2(a1Δg) molecules by electric discharge. Computations showed that the presence of 1% O2(a1Δg) in the total oxygen allowed one to convert CO to CO2 even at the temperature T=850–900 K in the time of 10−2 s. The excitation of O2 and N2 molecule vibrations is less effective for such a conversion. PMID:26170425

  14. 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 (φ=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

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

    PubMed

    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

    2014-03-01

    Fuels of the furan family, i.e. furan itself, 2-methylfuran (MF), and 2,5-dimethylfuran (DMF) are being proposed as alternatives to hydrocarbon fuels and are potentially accessible from cellulosic biomass. While some experiments and modeling results are becoming available for each of these fuels, a comprehensive experimental and modeling analysis of the three fuels under the same conditions, simulated using the same chemical reaction model, has - to the best of our knowledge - not been attempted before. The present series of three papers, detailing the results obtained in flat flames for each of the three fuels separately, reports experimental data and explores their combustion chemistry using kinetic modeling. The first part of this series focuses on the chemistry of low-pressure furan flames. Two laminar premixed low-pressure (20 and 40 mbar) flat argon-diluted (50%) flames of furan were studied at two equivalence ratios (φ=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

  16. 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.

  17. 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.

  18. Formation of combustible hydrocarbons and H2 during photocatalytic decomposition of various organic compounds under aerated and deaerated conditions.

    PubMed

    Mozia, Sylwia; Kułagowska, Aleksandra; Morawski, Antoni W

    2014-01-01

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

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

    PubMed

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

    2006-08-01

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

  20. 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.

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

    NASA Astrophysics Data System (ADS)

    Guillon, A.; Le Ménach, K.; Flaud, P.-M.; Marchand, N.; Budzinski, H.; Villenave, E.

    2012-08-01

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

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

    NASA Astrophysics Data System (ADS)

    Guillon, A.; Le Ménach, K.; Flaud, P.-M.; Marchand, N.; Budzinski, H.; Villenave, E.

    2013-03-01

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

  3. Symposium (International) on Combustion, 20th, University of Michigan, Ann Arbor, MI, August 12-17, 1984, Proceedings

    NASA Technical Reports Server (NTRS)

    1985-01-01

    The present conference on combustion phenomena considers topics in automotive engine combustion, turbulent reacting flows, the modeling of practical combustion systems, reaction kinetics, combustion-generated particulates, combustion diagnostics, coal combustion process characteristics, fire-related phenomena, explosion/detonation phenomena, spray combustion, ignition/extinction, laminar flames, pollutant formation processes, practical combustor devices, and rocket propellant combustion. Attention is given to the contributions of combustion science to piston engine design, modeling and measurement techniques for turbulent combustion, the specific effects of energy, collisions, and transport processes in combustion chemistry kinetics, the formation of large molecules, particulates and ions in premixed hydrocarbon flames, the application of laser diagnostics to combustion systems, spark ignition energies for dust-air mixtures, the controlling mechanisms of flow-assisted flame spread, the ignition and combustion of coal-water slurries, spontaneous ignition of methane, turbulent and accelerating dust flames, and the temperature sensitivity of double base propellants.

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

    NASA Astrophysics Data System (ADS)

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

    2008-10-01

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

  5. 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

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

    SciTech Connect

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

    2009-07-15

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

  7. 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

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

    PubMed

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

    2001-09-01

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

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

    NASA Astrophysics Data System (ADS)

    Sim, Hyung Sub

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

  10. The characterization of polycyclic aromatic hydrocarbons produced in combustion and pyrolysis environments: Laboratory-generated products of model compounds

    NASA Astrophysics Data System (ADS)

    Marsh, Nathan Douglas

    Laboratory and computational techniques have been developed to characterize polycyclic aromatic hydrocarbons (PAH), presumed soot precursors and potentially harmful by-products of a variety of pyrolysis and combustion processes. Newly synthesized reference standards and the application of high-pressure liquid chromatography (HPLC) with ultraviolet-visible (UV) absorption spectroscopy have led to the unequivocal identification, among combustion and pyrolysis products, of several new PAH, many of which belong to the two newly recognized PAH classes, ethynyl-PAH and cyclopenta-fused PAH (CP-PAH). Empirical rules have also been formulated for the UV spectra of ethynyl- and CP-PAH; these rules allow preliminary identification of candidate compounds in combustion products, prior to labor-intensive synthetic procedures necessary for identity confirmation. Pyrolysis products have been analyzed in two sets of experiments: benzene droplet combustion and gas-phase catechol (ortho-dihydroxybenzene) pyrolysis. In the first, benzene droplets are ignited and then captured by a phase-discriminating sampling probe; gas-phase pyrolysis products transported into the liquid phase of the droplet are identified and quantified. In the second set of experiments, catechol is pyrolysed in a laminar-flow reactor, at 700--1000°C and 0.4--1 sec, producing a range of aromatic products; the 30 most abundant are quantified. Compositional analysis of the pyrolysis products by HPLC reveals a wide variety of PAH which have never before been identified as products of these fuels. In general, most products appear to be the result of multiple ring-buildup steps. The data reported here for catechol products represent one of the most extensive quantifications of aromatic products from any fuel, and the only one for catechol. Semiempirical quantum chemical computations have been performed in order to examine the potential energy surfaces and equilibrium distributions of several compounds. The observed

  11. 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

  12. Diazido alkanes and diazido alkanols as combustion modifiers for liquid hydrocarbon ramjet fuels

    SciTech Connect

    Miller, R.S.; Moriarty, R.M.; Law, C.K.

    1988-05-03

    A liquid hydrocarbon ramjet fuel is described comprising from more than zero to 100 weight percent of a diazido alkanol of the general formula N/sub 3/CH/sub 2/(CH/sub 2/)/sub chi/CHOH(CH/sub 2/)/sub y/CH/sub 2/N/sub 3/ wherein chi is an integer of from 0 to 9, y is an integer of from 0 to 19, chi+y is an integer of from 0 to 19, and chiless than or equal toy, and the balance being a conventional jet fuel.

  13. Calculated equilibrium yields of C sub 60 from hydrocarbon pyrolysis and combustion

    SciTech Connect

    McKinnon, J.T. )

    1991-10-31

    The equilibrium yield of Buckminsterfullerene, C{sub 60}, has been computed for the pyrolysis and oxidation of a hydrocarbon source using a free-energy-minimization computer code as a function of temperature, pressure, and element ratios. High C{sub 60} yields are favored by low pressure and high C/H ratios and low oxygen concentrations. A temperature window exists in which fullerene yields are favored between 2,200 and 2,600 K. The computed yields are extremely sensitive to the value used for the C{sub 60} heat of formation and are fairly sensitive to the vibrational frequencies of the molecule.

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

    SciTech Connect

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

    1981-04-01

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

  15. A simplified reaction mechanism for calculation of emissions in hydrocarbon (Jet-A) combustion

    NASA Technical Reports Server (NTRS)

    Kundu, K. P.; Deur, J. M.

    1993-01-01

    The paper presents a simplified reaction mechanism developed for use in calculations of NO(x) emissions in Jet-A combustion. The rate for the N2 + O2 reaction was selected to match available experimental results, and the reaction rates for other global reactions in the Jet-A are empirical reaction rates adjusted to match species concentrations using the detailed mechanism of Miller and Bowman (1989). The mechanism was validated by comparing the emission of NO(x) calculated using propane as fuel.

  16. 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.

  17. Hydroxyalkoxy radicals: importance of intramolecular hydrogen bonding on chain branching reactions in the combustion and atmospheric decomposition of hydrocarbons.

    PubMed

    Davis, Alexander C; Francisco, Joseph S

    2014-11-20

    During both the atmospheric oxidation and combustion of volatile organic compounds, sequential addition of oxygen can lead to compounds that contain multiple hydrogen-bonding sites. The presence of two or more of these sites on a hydrocarbon introduces the possibility of intramolecular H-bonding, which can have a stabilizing effect on the reactants, products, and transition states of subsequent reactions. The present work compares the absolute energies of two sets of conformations, those that contain intramolecular H-bonds and those that lack intramolecular H-bonds, for each reactant, product, and transition state species in the 1,2 through 1,7 H-migrations and Cα-Cβ, Cα-H, and Cα-OH-bond scission reactions in the n-hydroxyeth-1-oxy through n-hydroxyhex-1-oxy radicals, for n ranging from 1 to 6. The difference in energy between the two conformations represents the balance between the stabilizing effects of H-bonds and the steric cost of bringing the two H-bonding sites together. The effect of intramolecular H-bonding and the OH group is assessed by comparing the net intramolecular H-bond stabilization energies, the reaction enthalpies, and barrier heights of the n-hydroxyalkoxy radical reactions with the corresponding alkoxy radicals values. The results suggest that there is a complex dependence on the location of the two H-bonding groups, the location of the abstraction or bond scission, and the shape of the transition state that dictates the extent to which intramolecular H-bonding effects the relative importance of H-migration and bond scission reactions for each n-hydroxyalkoxy radical. These findings have important implications for future studies on hydrocarbons with multiple H-bonding sites.

  18. Radiocarbon apportionment of fossil versus biofuel combustion sources of polycyclic aromatic hydrocarbons in the Stockholm metropolitan area.

    PubMed

    Mandalakis, Manolis; Gustafsson, Orjan; Reddy, Christopher M; Xu, Li

    2004-10-15

    Source-diagnostic markers and the isotopic composition of polycyclic aromatic hydrocarbons (PAHs) were examined in surface sediments from the greater Stockholm waterways to deduce the contribution from biomass sources to the environmental PAH load. The summed concentration of 20 PAHs ranged from 0.8 to 45.1 microg/g (dry weight) and exhibited a steep decline with increasing distance from the city center evidencing that sources within the metropolitan area of Stockholm dominate its PAH burden. Several diagnostic PAH ratios indicated an overwhelming predominance of pyrogenic sources over the petrogenic ones, while retene and 1,7-dimethylphenanthrene were unable to correctly evaluate the contribution from biomass combustion. The stable carbon isotope composition (delta13C) of individual PAHs ranged from -24.8 to -27.0% but also was proved inefficient to discriminate between different types of fuels due to the overlapping signals in various sources. The delta14C values of PAHs ranged between -550.4 and -934.1%, indicating a clear predominance of fossil fuel sources. By using an isotopic mass balance approach, we estimated that on average 17+/-9% of PAHs derived from biomass combustion. This radiocarbon apportionment, in conjunction with detailed energy statistics for the Stockholm region, revealed that the ambient PAH burden is roughly similar, per unit energy produced, from fossil fuels and biofuels. Societies' shifting energy policies toward a larger reliance on biofuels may thus not lead to further deterioration of air quality and respiratory ailments for the urban population. PMID:15543735

  19. Structural characteristics of polycyclic aromatic hydrocarbon isomers in coal tars and combustion products

    SciTech Connect

    Nishioka, M.; Chang, H.C.; Lee, M.L.

    1986-10-01

    Isomeric polycyclic aromatic hydrocarbons (PAH) with two to six rings in coal-derived products and in a carbon black were separated, identified, and quantified by using capillary column gas chromatography and gas chromatography-mass spectrometry. A newly synthesized smectic liquid-crystalline polysiloxane and a conventional polymethylsiloxane were utilized as stationary phases. Many previously difficult to separate isomeric PAH (i.e., methylphenanthrenes/methylanthracenes, triphenylene/chrysene, methylchrysenes, benzofluoranthenes, and pentaphene/benzo(b)chrysene) were identified). The relative abundances of the PAH in these samples were compared and correlated to the reaction conditions during their production. The relationship between abundance and structure for the identified PAH was also discussed. 26 references, 5 figures, 1 table.

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

    PubMed

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

    2013-10-01

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

  1. Reactions of o-benzyne with propargyl and benzyl radicals: potential sources of polycyclic aromatic hydrocarbons in combustion.

    PubMed

    Matsugi, Akira; Miyoshi, Akira

    2012-07-21

    The kinetics and mechanisms of the reactions of o-benzyne with propargyl and benzyl radicals have been investigated computationally. The possible reaction pathways have been explored by quantum chemical calculations at the M06-2X/6-311+G(3df,2p)//B3LYP/6-311G(d,p) level and the mechanisms have been investigated by the Rice-Ramsperger-Kassel-Marcus theory/master-equation calculations. It was found that the o-benzyne associates with the propargyl and benzyl radicals without pronounced barriers and the activated adducts easily isomerize to five-membered ring species. Indenyl radical and fluorene + H were predicted to be dominantly produced by the reactions of o-benzyne with propargyl and benzyl radicals, respectively, with the rate constants close to the high-pressure limits at temperatures below 2000 K. The related reactions on the two potential energy surfaces, namely, the reaction between fulvenallenyl radical and acetylene and the decomposition reactions of indenyl and α-phenylbenzyl radicals were also investigated. The high reactivity of o-benzyne toward the resonance stabilized radicals suggested a potential role of o-benzyne as a precursor of polycyclic aromatic hydrocarbons in combustion.

  2. 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.

  3. Speciated hydrocarbon and carbon monoxide emissions from an internal combustion engine operating on methyl tertiary butyl ether-containing fuels.

    PubMed

    Poulopoulos, S G; Philippopoulos, C J

    2001-07-01

    In the present work, engine and tailpipe (after a three-way catalytic converter) emissions from an internal combustion engine operating on two oxygenated blend fuels [containing 2 and 11% weight/weight (w/w) methyl tertiary butyl ether (MTBE)] and on a nonoxygenated base fuel were characterized. The engine (OPEL 1.6 L) was operated under various conditions, in the range of 0-20 HP. Total unburned hydrocarbons, carbon monoxide, methane, hexane, ethylene, acetaldehyde, acetone, 2-propanol, benzene, toluene, 1,3-butadiene, acetic acid, and MTBE were measured at each engine operating condition. As concerns the total HC emissions, the use of MTBE was beneficial from 1.90 to 3.81 HP, which were by far the most polluting conditions. Moreover, CO emissions in tailpipe exhaust were decreased in the whole operation range with increasing MTBE in the fuel. The greatest advantage of MTBE addition to gasoline was the decrease in ethylene, acetaldehyde, benzene, toluene, and acetic acid emissions in engine exhaust, especially when MTBE content in the fuel was increased to 11% w/w. In tailpipe exhaust, the catalyst operation diminished the observed differences. Ethylene, methane, and acetaldehyde were the main compounds present in exhaust gases. Ethylene was easily oxidized over the catalyst, while acetaldehyde and methane were quite resistant to oxidation.

  4. 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.

  5. 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.

  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. 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

  8. 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.

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

    NASA Astrophysics Data System (ADS)

    Landera, Alexander

    2013-12-01

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

  10. 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.

  11. Abiotic Organic Chemistry of the Terrestrial Deep Subsurface: Isotopic Constraints on Hydrocarbon Formation

    NASA Astrophysics Data System (ADS)

    Sherwood Lollar, B.; McCollom, T. M.; Seewald, J. S.; Lacrampe-Couloume, G.

    2008-12-01

    In serpentinized terrains in both marine and terrestrial subsurface, recent attention has focused on H2 and hydrocarbon gases - on their potential production by abiogenic processes of water-rock interaction; the possibility of their use by deep microbial communities as substrates for life; and on the relevance of such subsurface analogs for the origin of life on earth or elsewhere in the solar system. In deep subsurface Precambrian Shield rocks in South Africa, Canada and Finland, H2, methane and higher hydrocarbon gases have been identified at depths of 1-4 km. While some sites are dominated by gases produced by microbial methanogenesis, the deepest, most ancient fracture waters with residence times on the order of tens of millions of years contain hydrocarbon gases with a pattern of carbon isotope depletion in 13C and hydrogen isotope enrichment in 2H between methane and ethane consistent with abiogenic polymerization1. More recently, the carbon and hydrogen isotope variation between the higher hydrocarbon homologues have also been demonstrated to fit a simple mass balance model consistent with abiogenic polymerization reactions2. In this study, a series of experiments were performed by heating aqueous solutions at 250°C and 170Mpa under reducing conditions using powdered native Fe as a source of H2 and catalyst, and CO as a carbon source in a flexible cell hydrothermal apparatus. Experiments resulted in rapid generation of methane and higher hydrocarbon products typical of Fischer- Tropsch abiotic organic synthesis. These gases were analyzed for carbon and hydrogen isotopes to verify the polymerization model. Unlike the field samples, the experiments showed a carbon isotope enrichment between methane and ethane - suggesting that the extent of fractionation in the first, most highly fractionating step may vary as a function of different reaction mechanisms or parameters such as catalysts or conversion ratios. For the higher hydrocarbons however, carbon isotope

  12. Light hydrocarbons from plasma discharge in H2-He-CH4: first results and Uranian auroral chemistry.

    PubMed

    Thompson, W R; Henry, T; Khare, B N; Flynn, L; Schwartz, J; Sagan, C

    1987-12-30

    Voyager 2 found that the Uranian magnetosphere has a substantial flux of energetic charged particles, which becomes rich in higher energies at low magnetospheric L near the orbit of Miranda. The electrons precipitate to produce aurorae, which have been observed in the ultraviolet. The more energetic component of the precipitating electrons can initiate radiation chemistry in the methane-poor stratosphere, near 0.1 mbar where the CH4 mole fraction XCH4 approximately equal to 10(-5). We present laboratory results for cold plasma (glow) discharge in continuous flow H2-He-CH4 atmospheres with mol fractions XCH4 = 10(-2) to 10(-3) and total pressure p = 60 to 0.6 mbar. The yields of simple hydrocarbons in these experiments and an estimate of precipitating electron flux consistent with the Voyager ultraviolet spectroscopy results indicate the globally averaged auroral processing rate of CH4 to higher hydrocarbons approximately equal to 3 x 10(6) C cm-2 s-1, comparable to the globally averaged photochemical production rate. The local rate approximately 2 x 10(8) C cm-2 s-1 in the auroral zones (approximately 20 degrees in diameter) at 15 degrees S and 45 degrees N latitude greatly exceeds the photochemical rate. Even at very low XCH4 approximately equal to 10(-3) the yield (summed over all products) G > approximately 10(-2) C/100 eV and the average slope alpha = > approximately -0.4, where the summation is over all product molecules of a given carbon number eta and the square brackets denote abundance. The yield therefore decreases slowly with molecular complexity: hydrocarbons through C7Hx should be present in auroral zones at abundances > approximately 10(-2) of the simplest C2 hydrocarbons. Saturated hydrocarbons (C2H6, C3H8, C4H10, etc.) are mostly shielded from photodissociation by C2H2 and will therefore persist at the sunlit, as well as the currently dark, magnetic polar regions.

  13. Positive ion chemistry related to hydrocarbon flames doped with CF3 Br

    NASA Astrophysics Data System (ADS)

    Morris, Robert A.; Brown, Eileen R.; Viggiano, A. A.; van Doren, Jane M.; Paulson, John F.; Motevalli, Vahid

    1992-11-01

    Reactions of positive ions known to be present in hydrocarbon flames have been studied for their reactivity toward the fire suppressant CF3Br (Halon 1301) at 300 and 525 K. Rate constants and product branching percentages were measured at the two temperatures. The ions HCO+, CH+3, and CH+5 reacted rapidly with CF3Br producing CF+3 and CF2Br+ in all three cases. For CH+5, proton transfer was also observed at 300K. The ions H2COH+, H3COH+2, and H3O+ were unreactive with CF3Br at 300 and 525 K, and at [approximate]0.5 eV of collision energy supplied by a drift tube at 300 K. The product ions CF+3 and CF2Br+ were studied in separate experiments for reactivity toward selected hydrocarbons, and rate constants and branching percentages were determined. The hydrocarbons CH4, C2H6, C3H8, C2 H4, C3 H6, and C2H2 were selected for study (CF2] Br+ was studied with CH4, C2 H6, C2 H4, and C2H2 only). Neither CF+3 nor CF2Br+ reacted with CH4, but both ions reacted with other hydrocarbons. Hydrogen fluoride was among the inferred neutral reaction products in the reactions of CF+3 with C2H4 and C3H6. We found no evidence for any ionic process which could release Br atoms, any other free radicals, or the CF3Br+ molecular ion, and therefore no evidence was found to indicate that ions play a role in flame inhibition by CF3Br.

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

    SciTech Connect

    Not Available

    1981-11-30

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

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

    SciTech Connect

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

    1989-08-01

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

  16. Analysis of Absorption Spectra of Polycyclic Aromatic Hydrocarbons in Gaseous- and Particle- Phase Emissions from Peat Fuel Combustion Under Controlled Conditions

    NASA Astrophysics Data System (ADS)

    Connolly, J. I.; Samburova, V.; Moosmüller, H.; Khlystov, A.

    2015-12-01

    Biomass and fossil fuel burning processes emit important organic pollutants called polycyclic aromatic hydrocarbons (PAHs) into the atmosphere. Smoldering combustion of peat is one of the largest contributors (up to 70%) of carbonaceous species and, therefore, it may be one of the main sources of these PAHs. PAHs can be detrimental to health, they are known to be potent mutagens and suspected carcinogens. They may also contribute to solar light absorption as the particles absorb in the blue and near ultraviolet (UV) region of the solar spectrum ("brown carbon" species). There is very little knowledge and large ambiguity regarding the contribution of PAHs to optical properties of organic carbon (OC) emitted from smoldering biomass combustion. This study focuses on quantifying and analyzing PAHs emitted from peat smoldering combustion to gain more knowledge on their optical properties. Five peat fuels collected in different regions of the world (Russia, USA) were burned under controlled conditions (e.g., relative humidity, combustion efficiency, fuel-moisture content) at the Desert Research Institute Biomass Burning facility (Reno, NV, USA). Combustion aerosols collected on TIGF filters followed by XAD resin cartridges were extracted and analyzed for gas-phase (semi-volatile) and particle-phase PAHs. Filter and XAD samples were extracted separately with dichloromethane followed by acetone using Accelerated Solvent Extractor (ACE 300, Dionex). To determine absorption properties, absorption spectra of extracts and standard PAHs were recorded between 190 and 900 nm with a UV/VIS spectrophotometer (PerkinElmer, Lambda 650). This poster will discuss the potential contribution of PAHs to brown carbon emitted from peat combustion and give a brief comparison with absorption spectra from biomass burning aerosols.

  17. 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.

  18. 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.

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

    SciTech Connect

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

    1987-01-01

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

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

    PubMed

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

    2012-03-01

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

  1. Selective detection of isomers with photoionization mass spectrometry for studies of hydrocarbon flame chemistry

    NASA Astrophysics Data System (ADS)

    Cool, Terrill A.; Nakajima, Koichi; Mostefaoui, Toufik A.; Qi, Fei; McIlroy, Andrew; Westmoreland, Phillip R.; Law, Matthew E.; Poisson, Lionel; Peterka, Darcy S.; Ahmed, Musahid

    2003-10-01

    We report the first use of synchrotron radiation, continuously tunable from 8 to 15 eV, for flame-sampling photoionization mass spectrometry (PIMS). Synchrotron radiation offers important advantages over the use of pulsed vacuum ultraviolet lasers for PIMS; these include superior signal-to-noise, soft ionization, and access to photon energies outside the limited tuning ranges of current VUV laser sources. Near-threshold photoionization efficiency measurements were used to determine the absolute concentrations of the allene and propyne isomers of C3H4 in low-pressure laminar ethylene-oxygen and benzene-oxygen flames. Similar measurements of the isomeric composition of C2H4O species in a fuel-rich ethylene-oxygen flame revealed the presence of substantial concentrations of ethenol (vinyl alcohol) and acetaldehyde. Ethenol has not been previously detected in hydrocarbon flames. Absolute photoionization cross sections were measured for ethylene, allene, propyne, and acetaldehyde, using propene as a calibration standard. PIE curves are presented for several additional reaction intermediates prominent in hydrocarbon flames.

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

    SciTech Connect

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

    2004-10-15

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

  3. Synthesis chemistry of ceramics by solid-state combustion processes in micro-gravity

    SciTech Connect

    Valone, S.M.; Behrens, R.G.

    1985-01-01

    The method of solid-state combustion offers a way of producing refractory ceramics from the constituent elements. Since temperatures within the reaction zone are so high (2500 to 4000/sup 0/K), there is probably melting, and surface tension and gravity-induced convection may affect the mixing process. A strongly exothermic reaction can be used to drive a weakly exothermic or endothermic reaction. (DLC)

  4. 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.

  5. Global simulation of tropospheric O3-NO x -hydrocarbon chemistry: 2. Model evaluation and global ozone budget

    NASA Astrophysics Data System (ADS)

    Wang, Yuhang; Logan, Jennifer A.; Jacob, Daniel J.

    1998-05-01

    Results from a global three-dimensional model for tropospheric O3-NOx-hydrocarbon chemistry are presented and evaluated with surface, ozonesonde, and aircraft measurements. Seasonal variations and regional distributions of ozone, NO, peroxyacetylnitrate (PAN), CO, ethane, acetone, and H2O2 are examined. The model reproduces observed NO and PAN concentrations to within a factor of 2 for a wide range of tropospheric regions including the upper troposphere but tends to overestimate HNO3 concentrations in the remote troposphere (sometimes several fold). This discrepancy implies a missing sink for HNO3 that does not lead to rapid recycling of NOx; only in the upper troposphere over the tropical South Atlantic would a fast conversion of HNO3 to NOx improve the model simulation for NOx. Observed concentrations of acetone are reproduced in the model by including a large biogenic source (15 Tg C yr-1), which accounts for 40% of the estimated global source of acetone (37 Tg C yr-1). Concentrations of H2O2 in various regions of the troposphere are simulated usually to within a factor of 2, providing a test for HOx chemistry in the model. The model reproduces well the observed concentrations and seasonal variations of ozone in the troposphere, with some exceptions including an underestimate of the vertical gradient across the tropical trade wind inversion. A global budget analysis in the model indicates that the supply and loss of tropospheric ozone are dominated by photochemistry within the troposphere and that NOx. emitted in the southern hemisphere is twice as efficient at producing ozone as NOx emitted in the northern hemisphere.

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

    NASA Astrophysics Data System (ADS)

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

    2011-12-01

    The solubility of argon in liquid methane and ethane has been experimentally determined at 94 K. The solubilities are very large: 47% in methane and 15% in ethane, making the lakes of Titan an important potential reservoir of 40Ar. The amount of argon in the Titan lakes can be several times the atmospheric amount. After describing the experimental results, we will compare them with available models for vapor-liquid equilibria in the CH4-N2-Ar system. Using the data obtained on the solubility of argon in ethane, we will also derive implications for calculating the vapor-liquid equilibria in the C2H6-N2-Ar system. We eventually discuss the reasons for such high solubilities in terms of Hildebrand solubility parameters and the implications for Titan's surface chemistry and evolution.

  7. Numerical modeling of chemistry and gas dynamics during shock-induced ethylene combustion

    SciTech Connect

    Clifford, L.J.; Milne, A.M.; Murray, B.A.

    1996-02-01

    The authors present the results of a numerical study of shock-induced ethylene combustion. They compare the accuracy and efficiency of a variety of methods when applied to this combustion problem. For a full kinetics scheme they consider the speed of a range of alternative ordinary differential equation solvers. They find that for the coupled ODE-hydrodynamic problem an extrapolated linearly implicit Euler method is the fastest of the methods used, but that otherwise a fourth-order Rosenbrock scheme is the fastest solution method. The identity of the fastest method changes because of the start up conditions having to be recalculated at the start of every step in a coupled ODE-hydrodynamics module. The authors then apply a detailed reduction strategy to a chemical kinetics reaction data set and find that it cannot be reduced by many reactions as it is already a fairly compact set. They then introduce an induction parameter model based on the two parameter model of Taki and Fujiwara and the work of Oran et al. They derive functions that model the induction times and the energy release rates predicted using the chemical kinetics data set. They show some results of coupled gas dynamics and reactive flow calculations using these models and compare with experiment. They find that the induction parameter model reproduces the experimental results well while using less than 5% of the computational time of the chemical kinetics model.

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

    NASA Technical Reports Server (NTRS)

    Radhakrishnan, K.

    1984-01-01

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

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

    PubMed Central

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

    1993-01-01

    A number of isomeric C18H10 polycyclic aromatic hydrocarbons (PAHs), thought to be primarily cyclopenta-fused PAHs, are produced during the combustion and pyrolysis of fossil fuels. To determine the importance of their contributions to the total mutagenic activity of combustion and pyrolysis samples in which they are found, we characterized reference quantities of four C18H10 CP-PAHs: benzo[ghi]fluoranthene (BF), cyclopenta[cd]pyrene (CPP), cyclopent[hi]acephenanthrylene (CPAP), and cyclopent[hi]aceanthrylene (CPAA). Synthesis of CPAA and CPAP is described. The availability of reference samples of these isomers also proved to be an essential aid in the identification of the C18H10 species often found in combustion and pyrolysis samples. Chemical analysis of selected combustion and pyrolysis samples showed that CPP was generally the most abundant C18H10 isomer, followed by CPAP and BF. CPAA was detected only in pyrolysis products from pure PAHs. We tested the four C18H10 PAHs for mutagenicity in a forward mutation assay using S. typhimurium. CPP, BF, and CPAA were roughly twice as mutagenic as benzo[a]pyrene (BaP), whereas CPAP was only slightly active. These PAHs were also tested for mutagenic activity in human cells. In this assay, CPP and CPAA were strongly mutagenic but less active than BaP, whereas CPAP and BF were inactive at the dose levels tested. Also, the bacterial and human cell mutagenicity of CPAA and CPAP were compared with the mutagenicity of their monocyclopenta-fused analogs, aceanthrylene and acephenanthyrlene. Although the mutagenicities of CPAP and acephenanthrylene are similar, the mutagenic activity of CPAA is an order of magnitude greater than that of aceanthyrlene. PMID:8354201

  10. 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.

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

    SciTech Connect

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

    2015-02-20

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

  12. Chemical structures of low-pressure premixed methylcyclohexane flames as benchmarks for the development of a predictive combustion chemistry model

    SciTech Connect

    Skeen, Scott A.; Yang, Bin; Jasper, Ahren W.; Pitz, William J.; Hansen, Nils

    2011-11-14

    The chemical compositions of three low-pressure premixed flames of methylcyclohexane (MCH) are investigated with the emphasis on the chemistry of MCH decomposition and the formation of aromatic species, including benzene and toluene. The flames are stabilized on a flat-flame (McKenna type) burner at equivalence ratios of φ = 1.0, 1.75, and 1.9 and at low pressures between 15 Torr (= 20 mbar) and 30 Torr (= 40 mbar). The complex chemistry of MCH consumption is illustrated in the experimental identification of several C7H12, C7H10, C6H12, and C6H10 isomers sampled from the flames as a function of distance from the burner. Three initiation steps for MCH consumption are discussed: ring-opening to heptenes and methyl-hexenes (isomerization), methyl radical loss yielding the cyclohexyl radical (dissociation), and H abstraction from MCH. Mole fraction profiles as a function of distance from the burner for the C7 species supplemented by theoretical calculations are presented, indicating that flame structures resulting in steeper temperature gradients and/or greater peak temperatures can lead to a relative increase in MCH consumption through the dissociation and isomerization channels. Trends observed among the stable C6 species as well as 1,3-pentadiene and isoprene also support this conclusion. Relatively large amounts of toluene and benzene are observed in the experiments, illustrating the importance of sequential H-abstraction steps from MCH to toluene and from cyclohexyl to benzene. Furthermore, modeled results using the detailed chemical model of Pitz et al. (Proc. Combust. Inst.2007, 31, 267–275) are also provided to illustrate the use of these data as a benchmark for the improvement or future development of a MCH mechanism.

  13. Chemical structures of low-pressure premixed methylcyclohexane flames as benchmarks for the development of a predictive combustion chemistry model

    DOE PAGES

    Skeen, Scott A.; Yang, Bin; Jasper, Ahren W.; Pitz, William J.; Hansen, Nils

    2011-11-14

    The chemical compositions of three low-pressure premixed flames of methylcyclohexane (MCH) are investigated with the emphasis on the chemistry of MCH decomposition and the formation of aromatic species, including benzene and toluene. The flames are stabilized on a flat-flame (McKenna type) burner at equivalence ratios of φ = 1.0, 1.75, and 1.9 and at low pressures between 15 Torr (= 20 mbar) and 30 Torr (= 40 mbar). The complex chemistry of MCH consumption is illustrated in the experimental identification of several C7H12, C7H10, C6H12, and C6H10 isomers sampled from the flames as a function of distance from the burner.more » Three initiation steps for MCH consumption are discussed: ring-opening to heptenes and methyl-hexenes (isomerization), methyl radical loss yielding the cyclohexyl radical (dissociation), and H abstraction from MCH. Mole fraction profiles as a function of distance from the burner for the C7 species supplemented by theoretical calculations are presented, indicating that flame structures resulting in steeper temperature gradients and/or greater peak temperatures can lead to a relative increase in MCH consumption through the dissociation and isomerization channels. Trends observed among the stable C6 species as well as 1,3-pentadiene and isoprene also support this conclusion. Relatively large amounts of toluene and benzene are observed in the experiments, illustrating the importance of sequential H-abstraction steps from MCH to toluene and from cyclohexyl to benzene. Furthermore, modeled results using the detailed chemical model of Pitz et al. (Proc. Combust. Inst.2007, 31, 267–275) are also provided to illustrate the use of these data as a benchmark for the improvement or future development of a MCH mechanism.« less

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

    SciTech Connect

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

    2006-09-15

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

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

    NASA Technical Reports Server (NTRS)

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

    1996-01-01

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

  16. 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.

  17. 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.

  18. Combustion Chemistry of Ethanol: Ignition and Speciation Studies in a Rapid Compression Facility.

    PubMed

    Barraza-Botet, Cesar L; Wagnon, Scott W; Wooldridge, Margaret S

    2016-09-29

    Ethanol remains the most important alternative fuel for the transportation sector. This work presents new experimental data on ethanol ignition, including stable species measurements, obtained with the University of Michigan rapid compression facility. Ignition delay times were determined from pressure histories of ignition experiments with stoichiometric ethanol-air mixtures at pressures of ∼3-10 atm. Temperatures (880-1150 K) were controlled by varying buffer gas composition (Ar, N2, CO2). High-speed imaging was used to record chemiluminescence during the experiments, which showed homogeneous ignition events. The results for ignition delay time agreed well with trends on the basis of previous experimental measurements. Speciation experiments were performed using fast gas sampling and gas chromatography to identify and quantify ethanol and 11 stable intermediate species formed during the ignition delay period. Simulations were carried out using a chemical kinetic mechanism available in the literature, and the agreement with the experimental results for ignition delay time and the intermediate species measured was excellent for the majority of the conditions studied. From the simulation results, ethanol + HO2 was identified as an important reaction at the experimental conditions for both the ignition delay time and intermediate species measurements. Further studies to improve the accuracy of the rate coefficient for ethanol + HO2 would improve the predictive understanding of intermediate and low-temperature ethanol combustion.

  19. 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.

  20. Combustion Chemistry of Ethanol: Ignition and Speciation Studies in a Rapid Compression Facility.

    PubMed

    Barraza-Botet, Cesar L; Wagnon, Scott W; Wooldridge, Margaret S

    2016-09-29

    Ethanol remains the most important alternative fuel for the transportation sector. This work presents new experimental data on ethanol ignition, including stable species measurements, obtained with the University of Michigan rapid compression facility. Ignition delay times were determined from pressure histories of ignition experiments with stoichiometric ethanol-air mixtures at pressures of ∼3-10 atm. Temperatures (880-1150 K) were controlled by varying buffer gas composition (Ar, N2, CO2). High-speed imaging was used to record chemiluminescence during the experiments, which showed homogeneous ignition events. The results for ignition delay time agreed well with trends on the basis of previous experimental measurements. Speciation experiments were performed using fast gas sampling and gas chromatography to identify and quantify ethanol and 11 stable intermediate species formed during the ignition delay period. Simulations were carried out using a chemical kinetic mechanism available in the literature, and the agreement with the experimental results for ignition delay time and the intermediate species measured was excellent for the majority of the conditions studied. From the simulation results, ethanol + HO2 was identified as an important reaction at the experimental conditions for both the ignition delay time and intermediate species measurements. Further studies to improve the accuracy of the rate coefficient for ethanol + HO2 would improve the predictive understanding of intermediate and low-temperature ethanol combustion. PMID:27580251

  1. 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

  2. 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

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

    PubMed

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

    2013-11-21

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

  4. 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.

  5. 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.

  6. 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.

  7. 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…

  8. 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

  9. δ13C and δD Measurement using Cavity Ring-down and Isotope Ratio Mass Spectrometry by Gas Chromatography/Combustion/Pyrolysis and Off-line Processing of Hydrocarbons

    NASA Astrophysics Data System (ADS)

    Culp, R.; Pan, H.; Saad, N.

    2015-12-01

    A comparison was made between various stable isotope measurement techniques for the purpose of quantifying each methods capability for use in hydrocarbon analyses applicable to fields such as geochemistry, agriculture, forensics and authenticity testing. Measurement techniques include: (1) Cavity Ring-down spectrometry (CRDS) using a Picarro 2120-A interfaced with a combustion module (CM) to facilitate conversion of hydrocarbons to carbon dioxide and water (2) Isotope Ratio Mass Spectrometry (IRMS) using a Thermo 253 IRMS with gas chromatographic separation prior to combustion to carbon dioxide or high temperature pyrolysis to hydrogen for isotope ratio measurement. Also, off line combustion to carbon dioxide and water with further reduction to hydrogen and dual-inlet measurement by IRMS. IRMS techniques have proven track records for measurement accuracy and precision but require independent analyses of carbon and hydrogen since one needs to oxidize carbon but reduce water to hydrogen prior to measurement or pyrolyze hydrocarbons directly into hydrogen after gas chromatographic separation. Cavity ring-down spectrometry can measure carbon dioxide and water simultaneously eliminating the need for two separate measurements of carbon and hydrogen isotopes. Although the CRDS suffers from memory effects following combustion and transfer of gases early on, new technology has reduced this to acceptable levels for accurate determinations of carbon and hydrogen isotope ratios. In this study, various hydrocarbon materials were used over an extended period of time to determine the best combination of sample size, replicate analyses and combustion column composition and life. The data presented here indicates isotopic measurements by CM-CRDS, for both solid and volatile liquid samples, compare well with GC/IRMS and off-line dual inlet methods of analysis.

  10. 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.

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

    PubMed Central

    SHEN, Guofeng; TAO, Shu; WEI, Siye; ZHANG, Yanyan; WANG, Rong; WANG, Bin; LI, Wei; SHEN, Huizhong; HUANG, Ye; CHEN, Yuanchen; CHEN, Han; YANG, Yifeng; WANG, Wei; WEI, Wen; WANG, Xilong; LIU, Wenxing; WANG, Xuejun; SIMONICH, Staci L. Massey

    2012-01-01

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

  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

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

    PubMed Central

    2015-01-01

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

  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.

  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. Sulphur stable isotope systematics in diagenetic pyrite from the North Sea hydrocarbon reservoirs revealed by laser combustion analysis.

    PubMed

    Fallick, Anthony E; Boyce, Adrian J; McConville, Paul

    2012-01-01

    Our study focuses on pyrite nodules developed in the Brent Group sandstones, which host the Brent Oilfield, one of the North Sea's greatest oil and gas producers. Timing of nodule formation is equivocal, but due to the forceful, penetrative textures that abound, it is considered late. This pyrite offers a research opportunity because it records the development of the supply of H(2)S in a hydrocarbon reservoir and its sulphur isotopic composition. Laser-based analysis of δ(34)S reveals an extraordinary diversity in values and patterns. The values range from-27 to+72‰, covering half the terrestrial range, with large variations at the submillimetre scale. Isotopically heavy (δ(34)S ∼+30‰ or higher) sulphide is endemic, but low δ(34)S pyrite is also present and appears to represent a temporally though not spatially (on the ∼cm scale) distinct pyritisation event. The distribution of δ(34)S values within individual concretions can be normal (Gaussian), but in some cases may reflect progressive isotope fractionation process(es), conceivably of Rayleigh type. The source of the sulphur and the identity of the isotope fractionation process(es) remain enigmatic.

  17. 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

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

    PubMed

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

    2014-03-01

    This is Part II of a series of three papers which jointly address the combustion chemistry of furan and its alkylated derivatives 2-methylfuran (MF) and 2,5-dimethylfuran (DMF) under premixed low-pressure flame conditions. Some of them are considered to be promising biofuels. With furan as a common basis studied in Part I of this series, the present paper addresses two laminar premixed low-pressure (20 and 40 mbar) flat argon-diluted (50%) flames of MF which were studied with electron-ionization molecular-beam mass spectrometry (EI-MBMS) and gas chromatography (GC) for equivalence ratios φ=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.

  19. 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 φ=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

  20. 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.

  1. 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.

  2. 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

  3. Forensic Chemistry

    NASA Astrophysics Data System (ADS)

    Bell, Suzanne

    2009-07-01

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

  4. 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.

  5. Combustor nozzle for a fuel-flexible combustion system

    DOEpatents

    Haynes, Joel Meier; Mosbacher, David Matthew; Janssen, Jonathan Sebastian; Iyer, Venkatraman Ananthakrishnan

    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.

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

    ERIC Educational Resources Information Center

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

    2007-01-01

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

  7. 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.

  8. Influence of turbulence-chemistry interaction for n-heptane spray combustion under diesel engine conditions with emphasis on soot formation and oxidation

    NASA Astrophysics Data System (ADS)

    Bolla, Michele; Farrace, Daniele; Wright, Yuri M.; Boulouchos, Konstantinos; Mastorakos, Epaminondas

    2014-03-01

    The influence of the turbulence-chemistry interaction (TCI) for n-heptane sprays under diesel engine conditions has been investigated by means of computational fluid dynamics (CFD) simulations. The conditional moment closure approach, which has been previously validated thoroughly for such flows, and the homogeneous reactor (i.e. no turbulent combustion model) approach have been compared, in view of the recent resurgence of the latter approaches for diesel engine CFD. Experimental data available from a constant-volume combustion chamber have been used for model validation purposes for a broad range of conditions including variations in ambient oxygen (8‑21% by vol.), ambient temperature (900 and 1000 K) and ambient density (14.8 and 30 kg/m3). The results from both numerical approaches have been compared to the experimental values of ignition delay (ID), flame lift-off length (LOL), and soot volume fraction distributions. TCI was found to have a weak influence on ignition delay for the conditions simulated, attributed to the low values of the scalar dissipation relative to the critical value above which auto-ignition does not occur. In contrast, the flame LOL was considerably affected, in particular at low oxygen concentrations. Quasi-steady soot formation was similar; however, pronounced differences in soot oxidation behaviour are reported. The differences were further emphasised for a case with short injection duration: in such conditions, TCI was found to play a major role concerning the soot oxidation behaviour because of the importance of soot-oxidiser structure in mixture fraction space. Neglecting TCI leads to a strong over-estimation of soot oxidation after the end of injection. The results suggest that for some engines, and for some phenomena, the neglect of turbulent fluctuations may lead to predictions of acceptable engineering accuracy, but that a proper turbulent combustion model is needed for more reliable results.

  9. Influence of turbulence-chemistry interaction for n-heptane spray combustion under diesel engine conditions with emphasis on soot formation and oxidation

    NASA Astrophysics Data System (ADS)

    Bolla, Michele; Farrace, Daniele; Wright, Yuri M.; Boulouchos, Konstantinos; Mastorakos, Epaminondas

    2014-03-01

    The influence of the turbulence-chemistry interaction (TCI) for n-heptane sprays under diesel engine conditions has been investigated by means of computational fluid dynamics (CFD) simulations. The conditional moment closure approach, which has been previously validated thoroughly for such flows, and the homogeneous reactor (i.e. no turbulent combustion model) approach have been compared, in view of the recent resurgence of the latter approaches for diesel engine CFD. Experimental data available from a constant-volume combustion chamber have been used for model validation purposes for a broad range of conditions including variations in ambient oxygen (8-21% by vol.), ambient temperature (900 and 1000 K) and ambient density (14.8 and 30 kg/m3). The results from both numerical approaches have been compared to the experimental values of ignition delay (ID), flame lift-off length (LOL), and soot volume fraction distributions. TCI was found to have a weak influence on ignition delay for the conditions simulated, attributed to the low values of the scalar dissipation relative to the critical value above which auto-ignition does not occur. In contrast, the flame LOL was considerably affected, in particular at low oxygen concentrations. Quasi-steady soot formation was similar; however, pronounced differences in soot oxidation behaviour are reported. The differences were further emphasised for a case with short injection duration: in such conditions, TCI was found to play a major role concerning the soot oxidation behaviour because of the importance of soot-oxidiser structure in mixture fraction space. Neglecting TCI leads to a strong over-estimation of soot oxidation after the end of injection. The results suggest that for some engines, and for some phenomena, the neglect of turbulent fluctuations may lead to predictions of acceptable engineering accuracy, but that a proper turbulent combustion model is needed for more reliable results.

  10. 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

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

    SciTech Connect

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

    1993-05-01

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

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

    NASA Astrophysics Data System (ADS)

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

    1993-05-01

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

  13. Formation and emission of large furans and oxygenated hydrocarbons from flames.

    PubMed

    Johansson, K Olof; Dillstrom, Tyler; Monti, Matteo; El Gabaly, Farid; Campbell, Matthew F; Schrader, Paul E; Popolan-Vaida, Denisia M; Richards-Henderson, Nicole K; Wilson, Kevin R; Violi, Angela; Michelsen, Hope A

    2016-07-26

    Many oxygenated hydrocarbon species formed during combustion, such as furans, are highly toxic and detrimental to human health and the environment. These species may also increase the hygroscopicity of soot and strongly influence the effects of soot on regional and global climate. However, large furans and associated oxygenated species have not previously been observed in flames, and their formation mechanism and interplay with polycyclic aromatic hydrocarbons (PAHs) are poorly understood. We report on a synergistic computational and experimental effort that elucidates the formation of oxygen-embedded compounds, such as furans and other oxygenated hydrocarbons, during the combustion of hydrocarbon fuels. We used ab initio and probabilistic computational techniques to identify low-barrier reaction mechanisms for the formation of large furans and other oxygenated hydrocarbons. We used vacuum-UV photoionization aerosol mass spectrometry and X-ray photoelectron spectroscopy to confirm these predictions. We show that furans are produced in the high-temperature regions of hydrocarbon flames, where they remarkably survive and become the main functional group of oxygenates that incorporate into incipient soot. In controlled flame studies, we discovered ∼100 oxygenated species previously unaccounted for. We found that large alcohols and enols act as precursors to furans, leading to incorporation of oxygen into the carbon skeletons of PAHs. Our results depart dramatically from the crude chemistry of carbon- and oxygen-containing molecules previously considered in hydrocarbon formation and oxidation models and spearhead the emerging understanding of the oxidation chemistry that is critical, for example, to control emissions of toxic and carcinogenic combustion by-products, which also greatly affect global warming. PMID:27410045

  14. Formation and emission of large furans and oxygenated hydrocarbons from flames

    PubMed Central

    Johansson, K. Olof; Dillstrom, Tyler; Monti, Matteo; El Gabaly, Farid; Campbell, Matthew F.; Schrader, Paul E.; Popolan-Vaida, Denisia M.; Richards-Henderson, Nicole K.; Wilson, Kevin R.; Violi, Angela; Michelsen, Hope A.

    2016-01-01

    Many oxygenated hydrocarbon species formed during combustion, such as furans, are highly toxic and detrimental to human health and the environment. These species may also increase the hygroscopicity of soot and strongly influence the effects of soot on regional and global climate. However, large furans and associated oxygenated species have not previously been observed in flames, and their formation mechanism and interplay with polycyclic aromatic hydrocarbons (PAHs) are poorly understood. We report on a synergistic computational and experimental effort that elucidates the formation of oxygen-embedded compounds, such as furans and other oxygenated hydrocarbons, during the combustion of hydrocarbon fuels. We used ab initio and probabilistic computational techniques to identify low-barrier reaction mechanisms for the formation of large furans and other oxygenated hydrocarbons. We used vacuum-UV photoionization aerosol mass spectrometry and X-ray photoelectron spectroscopy to confirm these predictions. We show that furans are produced in the high-temperature regions of hydrocarbon flames, where they remarkably survive and become the main functional group of oxygenates that incorporate into incipient soot. In controlled flame studies, we discovered ∼100 oxygenated species previously unaccounted for. We found that large alcohols and enols act as precursors to furans, leading to incorporation of oxygen into the carbon skeletons of PAHs. Our results depart dramatically from the crude chemistry of carbon- and oxygen-containing molecules previously considered in hydrocarbon formation and oxidation models and spearhead the emerging understanding of the oxidation chemistry that is critical, for example, to control emissions of toxic and carcinogenic combustion by-products, which also greatly affect global warming. PMID:27410045

  15. 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.

  16. Chemistry Impacts in Gasoline HCCI

    SciTech Connect

    Szybist, James P; Bunting, Bruce G

    2006-09-01

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

  17. 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...

  18. Numerical simulations in combustion

    NASA Technical Reports Server (NTRS)

    Chung, T. J.

    1989-01-01

    This paper reviews numerical simulations in reacting flows in general and combustion phenomena in particular. It is shown that use of implicit schemes and/or adaptive mesh strategies can improve convergence, stability, and accuracy of the solution. Difficulties increase as turbulence and multidimensions are considered, particularly when finite-rate chemistry governs the given combustion problem. Particular attention is given to the areas of solid-propellant combustion dynamics, turbulent diffusion flames, and spray droplet vaporization.

  19. Critical influence of finite rate chemistry and unmixedness on ignition and combustion of supersonic H2-air streams

    NASA Technical Reports Server (NTRS)

    Evans, J. S.; Schexnayder, C. J., Jr.

    1979-01-01

    Good agreement has been obtained between published profiles of composition and pitot pressure and the calculated results from a computer program in which finite rate chemistry was used. Significant differences are noted between results calculated using 7 species and 8 reactions and those calculated using 12 species and 25 reactions. Differences are also found between results in which the effect of unmixedness on reaction in turbulent flow is applied or is not applied.

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

    PubMed

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

    2014-04-01

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

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

    NASA Astrophysics Data System (ADS)

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

    2014-05-01

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

  2. 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.

  3. 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.

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

    SciTech Connect

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

    2008-10-01

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

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

    SciTech Connect

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

    2009-06-15

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

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

    SciTech Connect

    Dryer, F.L.; Brezinsky, K.

    1990-09-01

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

  7. 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.

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

    PubMed

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

    2014-03-01

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

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

    PubMed Central

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

    2013-01-01

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

  10. Incomplete Combustion with Candle Flames: A Guided-Inquiry Experiment in the First-Year Chemistry Lab

    NASA Astrophysics Data System (ADS)

    MacNeil, Joseph; Volaric, Lisa

    2003-03-01

    The self-extinction of candle flames in sealed environments is used as the foundation of a guided-inquiry module suitable for first-year chemistry labs. Working in groups of three or four, students are introduced to gas chromatography by resolving and identifying the O2 and N2 peaks from ambient air samples. The separation takes less than two minutes, permitting each student to gain hands-on experience. When the students are comfortable with the instrument, they are provided with the materials needed to construct a sample chamber and measure the composition of the air remaining after a candle flame has burned out. Students are initially surprised by the quantity of O2 remaining, which is typically found to be 14% to 16%. Through interaction with the laboratory instructor the students attempt to improve their experimental design and reproduce their best results to allow some estimate of the remaining error in their method. Finally, they are asked to explain their results and apply them in other contexts.

  11. Measurement of spray combustion processes

    NASA Technical Reports Server (NTRS)

    Peters, C. E.; Arman, E. F.; Hornkohl, J. O.; Farmer, W. M.

    1984-01-01

    A free jet configuration was chosen for measuring noncombusting spray fields and hydrocarbon-air spray flames in an effort to develop computational models of the dynamic interaction between droplets and the gas phase and to verify and refine numerical models of the entire spray combustion process. The development of a spray combustion facility is described including techniques for laser measurements in spray combustion environments and methods for data acquisition, processing, displaying, and interpretation.

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

    PubMed

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

    2005-01-01

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

  13. 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.

  14. Catalytic combustion over hexaaluminates

    SciTech Connect

    Ramesh, K.S.; Kingsley, J.J.; Hubler, T.L.; McCready, D.E.; Cox, J.L.

    1997-12-31

    Combustion is the oldest and most extensively used process for the production of light, heat, and energy utilization. Mankind has sought to control combustion since prehistoric times to more effectively utilize the combustible material, control the products of combustion, and harness the energy released during combustion. Catalysts provide the means to control the reactions of combustion beyond what can be achieved in the homogeneous gas phase (1). Catalysts also enable operation outside the range of flammability limits and control atmospheric pollutants of combustion, mainly NO{sub x}, carbon monoxide, and particles of incomplete combustion (soot). The major technical difficulty that has hindered widespread application of catalytic combustion devices is their poor performance, particularly durability of their ceramic substrates and catalytically active phases in the high temperature environment. Catalytic combustion of hydrocarbons over metals and metal oxide catalysts has been explored extensively. Recent reviews of materials for high temperature catalytic combustion have been provided by Marcus et al. (2) and Trim (3). Hexaaluminates which show good thermal stability above 1200{degrees}C are one class of metal oxides receiving consideration for application in high temperature combustion devices. Matsuda et al. (4) have developed thermally stable La-hexaaluminates with the same layer structure as Ba-hexaaluminate and have investigated their catalytic application. Machida et al. (5-7) have investigated the catalytic properties of a number of hexaaluminates of BaMAl{sub 11}O{sub 19-{alpha}}(M=Cr, Mn,Fe,Co,Ni). Here we report the synthesis, properties and catalytic combustion of some new hexaaluminates.

  15. 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.

  16. Kinetics of coal combustion: Part 2, Mechanisms and kinetics of coal volatiles combustion

    SciTech Connect

    Gat, N.; Wolff, M.F.; Petach, M.B. )

    1988-12-01

    Presently very little is known about the combustion characteristics of mixtures of hydrocarbon fuels. Even less is known about the combustion of coal volatiles which are complex mixtures of light and high molecular weight hydrocarbons. This issue pertains not only to coal volatiles but also to the combustion of synthetic fuels, liquefaction and coal gasification products. The subject in general has been given very little attention in the literature. As a consequence, current modeling methods are based on assumptions which are not thoroughly validated and verified. The current investigation addressed this very problem of the combustion of mixtures of hydrocarbon fuels. 29 refs., 35 figs., 5 tabs.

  17. 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…

  18. Studies in combustion dynamics

    SciTech Connect

    Koszykowski, M.L.

    1993-12-01

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

  19. 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.

  20. Combustion Science for Cleaner Fuels

    SciTech Connect

    Ahmed, Musahid

    2014-10-17

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

  1. Fuel property effects on engine combustion processes. Final report

    SciTech Connect

    Cernansky, N.P.; Miller, D.L.

    1995-04-27

    A major obstacle to improving spark ignition engine efficiency is the limitations on compression ratio imposed by tendency of hydrocarbon fuels to knock (autoignite). A research program investigated the knock problem in spark ignition engines. Objective was to understand low and intermediate temperature chemistry of combustion processes relevant to autoignition and knock and to determine fuel property effects. Experiments were conducted in an optically and physically accessible research engine, static reactor, and an atmospheric pressure flow reactor (APFR). Chemical kinetic models were developed for prediction of species evolution and autoignition behavior. The work provided insight into low and intermediate temperature chemistry prior to autoignition of n-butane, iso-butane, n-pentane, 1-pentene, n-heptane, iso-octane and some binary blends. Study of effects of ethers (MTBE, ETBE, TAME and DIPE ) and alcohols (methanol and ethanol) on the oxidation and autoignition of primary reference fuel (PRF) blends.

  2. 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

  3. 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.

  4. Method for producing viscous hydrocarbons

    DOEpatents

    Poston, Robert S.

    1982-01-01

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

  5. 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.

  6. Synthetic fuel aromaticity and staged combustion

    SciTech Connect

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

    1982-11-15

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

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

    PubMed

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

    2013-03-01

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

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

    PubMed

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

    2013-03-01

    The heteronuclear oxo-cluster [VPO4](•+) is generated via electrospray ionization and investigated with respect to both its electronic structure as well as its gas-phase reactivity toward small hydrocarbons, thus permitting a comparison to the well-known vanadium-oxide cation [V2O4](•+). As described in previous studies, the latter oxide exhibits no or just minor reactivity toward small hydrocarbons, such as CH4, C2H6, C3H8, n-C4H10, and C2H4, while substitution of one vanadium by a phosphorus atom yields the reactive [VPO4](•+) ion; the latter brings about oxidative dehydrogenation (ODH) of saturated hydrocarbons, e.g., propane and butane as well as oxygen-atom transfer (OAT) to unsaturated hydrocarbons, e.g. ethene, at thermal conditions. Further, the gas-phase structure of [VPO4](•+) is determined by IR photodissociation spectroscopy and compared to that of [V2O4](•+). DFT calculations help to elucidate the reaction mechanism. The results underline the crucial role of phosphorus in terms of C-H bond activation of hydrocarbons by mixed VPO clusters. PMID:23432112

  9. Global impact of fossil fuel combustion on atmospheric NO x

    NASA Astrophysics Data System (ADS)

    Horowitz, Larry W.; Jacob, Daniel J.

    1999-10-01

    Fossil fuel combustion is the largest global source of NOx to the troposphere. This source is concentrated in polluted continental boundary layers, and the extent to which it impacts tropospheric chemistry on a global scale is uncertain. We use a global three-dimensional model of tropospheric chemistry and transport to study the impact of fossil fuel combustion on the global distribution of NOx during nothern hemisphere summer. In the model, we tag fossil fuel NOx and its reservoir NOy species in order to determine the relative contribution of fossil fuel combustion to NOx concentrations in different regions of the world. Our model includes a detailed representation of NOx-O3-nonmethane hydrocarbon (NMHC) chemistry, which is necessary to properly simulate the export of reactive nitrogen, including organic nitrates such as peroxyacyl nitrates (PANs), from the continental boundary layer. We find that fossil fuel combustion accounts for over 40% of NOx. concentrations in the lower and middle troposphere throughout the extratropical northern hemisphere. PANs are shown to provide an important mechanism for transporting NOx from source regions to the remote troposphere, accounting for over 80% of the fossil fuel NOx in the lower troposphere over most of the ocean. Sources in the United States are found to contribute about half of the fossil fuel NOx over the North Atlantic Ocean. Emissions from China, which are expected to increase rapidly in the coming decades, currently account for about half of the fossil fuel NOx over the western North Pacific Ocean; the influence of these emissions extends into the tropics. Because of this tropical influence, emissions from China have more potential than emissions in the United States to perturb the global oxidizing power of the atmosphere.

  10. 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.

  11. Release of polycyclic aromatic hydrocarbons, carbon monoxide and particulate matter from biomass combustion in a wood-fired boiler under varying boiler conditions

    NASA Astrophysics Data System (ADS)

    Bignal, Keeley L.; Langridge, Sam; Zhou, John L.

    Particulate matter, CO and NO as well as 16 polycyclic aromatic hydrocarbons (PAHs) in both gaseous and particulate phases were measured in the stack of a woodchip-fired 50 kW boiler used for domestic heating. The concentrations of ΣPAHs in both gas and particle phases varied from 1.3 to 1631.7 μg m -3. Mean CO and NO concentrations varied from 96 to 6002 ppm and from 28 to 359 ppm, respectively. The effects of fuel parameters (moisture content (MC) and tree species) and boiler operating conditions on pollutant concentrations were investigated. A relationship was established between ΣPAHs in gaseous and particulate phases and CO concentrations. The species of tree used for woodchip was less important than MC and boiler operating conditions in affecting pollutant concentrations. It is recommended that in order to minimise PAH release woodchip fuel should have a low MC, and the boiler should be operated with a load demand (high/moderate heat requirement). Slumber modes when the boiler has no load demand and is effectively a smouldering flame should be avoided. This can be achieved by increasing automatic operation capability of wood-fired boilers, for example, by automatically varying fire rates and having auto-start capabilities. The PAH data obtained from this study is particularly useful in contributing to emissions inventories, modelling, and predictions of ambient air quality.

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

    PubMed

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

    2000-09-01

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

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

    SciTech Connect

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

    2009-01-15

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

  14. 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.

  15. Global Pattern of Hydrocarbons in the Upper Troposphere and Stratosphere from ACE-FTS measurements Compared to GEOS-Chem Simulations

    NASA Astrophysics Data System (ADS)

    Koo, J. H.; Walker, K. A.; Jones, A.; Sheese, P.; Jones, D. B. A.; Boone, C. D.; Bernath, P. F.; Manney, G. L.

    2015-12-01

    Organic carbon species, herein referred to as hydrocarbons, are important components for describing and understanding the influence of natural and anthropogenic emissions on atmospheric chemistry. Analysis of the global pattern of hydrocarbons is therefore an important step to understand the regional and seasonal variation of air pollution and natural fire events. The Atmospheric Chemistry Experiment Fourier Transform Spectrometer (ACE-FTS) has monitored trace gases in the upper troposphere and stratosphere based on solar occultation measurements for more than ten years. In this study, we investigate the global pattern of seven hydrocarbon species (CO, C2H6, C2H2, HCN, H2CO, CH3OH, and HCOOH) and OCS using the ACE-FTS version 3.5 dataset from 2004 to 2013. All hydrocarbons show strong seasonal variation and regional differences, but the detailed pattern differs according to the speciation of the hydrocarbons. For example in the Northern Hemisphere, CO, C2H6, and C2H2 show the highest mixing ratios in winter, but high CH3OH and HCOOH appear in summer. In the Southern hemisphere, H2CO, HCN, and HCOOH show high mixing ratios in springtime. These patterns indicate the effect of different emission sources including fuel combustion, wildfire emission, and chemical production. Correlation with CO also reflects these seasonal and regional differences and can provide useful information to characterize each hydrocarbon emission. We also compared the ACE-FTS measurements with GEOS-Chem output to examine the model performance and spatiotemporal patterns.

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

    NASA Astrophysics Data System (ADS)

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

    1998-06-01

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

  17. 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.

  18. Radiation Chemistry

    NASA Astrophysics Data System (ADS)

    Wojnárovits, L.

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

  19. ReaxFF reactive force field for molecular dynamics simulations of hydrocarbon oxidation.

    PubMed

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

    2008-02-01

    To investigate the initial chemical events associated with high-temperature gas-phase oxidation of hydrocarbons, we have expanded the ReaxFF reactive force field training set to include additional transition states and chemical reactivity of systems relevant to these reactions and optimized the force field parameters against a quantum mechanics (QM)-based training set. To validate the ReaxFF potential obtained after parameter optimization, we performed a range of NVT-MD simulations on various hydrocarbon/O2 systems. From simulations on methane/O2, o-xylene/O2, propene/O2, and benzene/O2 mixtures, we found that ReaxFF obtains the correct reactivity trend (propene > o-xylene > methane > benzene), following the trend in the C-H bond strength in these hydrocarbons. We also tracked in detail the reactions during a complete oxidation of isolated methane, propene, and o-xylene to a CO/CO2/H2O mixture and found that the pathways predicted by ReaxFF are in agreement with chemical intuition and our QM results. We observed that the predominant initiation reaction for oxidation of methane, propene, and o-xylene under fuel lean conditions involved hydrogen abstraction of the methyl hydrogen by molecular oxygen forming hydroperoxyl and hydrocarbon radical species. While under fuel rich conditions with a mixture of these hydrocarbons, we observed different chemistry compared with the oxidation of isolated hydrocarbons including a change in the type of initiation reactions, which involved both decomposition of the hydrocarbon or attack by other radicals in the system. Since ReaxFF is capable of simulating complicated reaction pathways without any preconditioning, we believe that atomistic modeling with ReaxFF provides a useful method for determining the initial events of oxidation of hydrocarbons under extreme conditions and can enhance existing combustion models. PMID:18197648

  20. Emissions from combustion engines and their control

    SciTech Connect

    Patterson, D.J.; Henein, N.A.

    1981-01-01

    This standard text for the automotive industry explains in detail the fundamentals of emission formation and control for gasoline and diesel engines. These concepts can be applied to other combustion systems, such as gas turbines and stationary power plants. Topics of discussion include: combustion in homogeneous mixtures; effect of design and operating variables on gasoline engine exhaust emissions; hydrocarbon evaporation emissions; diesel engine combustion emissions and controls; emission instrumentation; and automotive exhaust emission testing. 200 references, 197 figures.

  1. Diterpenoid tetracyclic hydrocarbons of petroleum

    SciTech Connect

    Vorob'eva, N.S.; Zemskova, Z.K.; Pekh, T.I.; Petrov, A.A.

    1987-08-01

    Diterpenoid hydrocarbons are fairly widespread in various caustobioliths. However, if petroleums contain mainly acyclic diterpenoids (phytane, pristane and norpristane), cyclic diterpaenes such as fichtelite, pimarane, iosene (kaurane) and hibbane are often found in hydrocarbons isolated from coal and shale. Recent advances in the chemistry of diterpenoids isolated from caustobioliths, are described in a separate paper. Much less is known about petroleum polycyclic diterpenoid hydrocarbons, particularly those with four saturated rings. A series of tetracyclic hydrocarbons C/sub 19/H/sub 32/ (molar mass 260), found in a number of light petroleums and gas condensates from the Jura deposits of Central Kara-Kum (Turkmen S.S.R.), are examined here. These hydrocarbons are present in petroleums and condensates from the Davaly, Erden, Ortakak, Southern Beuideshik deposits, they are always identical and occur in the same ratios. The composition of the tretracyclanes isolated from the Ortakak gas condensates (well 17) will be examined in detail.

  2. 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.

  3. 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.

  4. Nox reduction system utilizing pulsed hydrocarbon injection

    DOEpatents

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

    2001-01-01

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

  5. 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.

  6. Flame stabilization in chlorine-hydrocarbon mixtures

    SciTech Connect

    Steblev, A.V.

    1986-11-01

    The authors determine the limits of stable steady-state combustion of binary mixtures of methane, propane, ethylene, and chlorine using cylindrical stabilizers of various diameters. The studies were performed on Bunsen burners. Two series of experiments were performed. The first studied the effect of stabilizer size on the limits of flame stabilization in mixtures of fixed composition having the highest flame velocity; the second studied the effect on combustion limits of mixture composition for the fixed stabilizer diameter at which the combustion limits were widest. The principles established by these experiments are used as contributing factors in the design of high-output combustion chambers for hydrocarbon-chlorine mixtures.

  7. 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)

  8. 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.

  9. Combustion noise

    NASA Technical Reports Server (NTRS)

    Strahle, W. C.

    1977-01-01

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

  10. Method for in situ combustion

    DOEpatents

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

    1977-01-01

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

  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. 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)

  13. 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.

  14. 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).

  15. 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.

  16. 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.

  17. Hydrocarbon-enhanced particulate filter regeneration via microwave ignition

    DOEpatents

    Gonze, Eugene V.; Brown, David B.

    2010-02-02

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

  18. Combustion chamber and thermal vapor stream producing apparatus and method

    DOEpatents

    Sperry, John S.; Krajicek, Richard W.; Cradeur, Robert R.

    1978-01-01

    A new and improved method and apparatus for burning a hydrocarbon fuel for producing a high pressure thermal vapor stream comprising steam and combustion gases for injecting into a subterranean formation for the recovery of liquefiable minerals therefrom, wherein a high pressure combustion chamber having multiple refractory lined combustion zones of varying diameters is provided for burning a hydrocarbon fuel and pressurized air in predetermined ratios injected into the chamber for producing hot combustion gases essentially free of oxidizing components and solid carbonaceous particles. The combustion zones are formed by zones of increasing diameters up a final zone of decreasing diameter to provide expansion zones which cause turbulence through controlled thorough mixing of the air and fuel to facilitate complete combustion. The high pressure air and fuel is injected into the first of the multiple zones where ignition occurs with a portion of the air injected at or near the point of ignition to further provide turbulence and more complete combustion.

  19. Upper troposphere and stratosphere distribution of hydrocarbon species in ACE-FTS measurements and GEOS-Chem simulations

    NASA Astrophysics Data System (ADS)

    Koo, Ja-Ho; Walker, Kaley A.; Jones, Dylan B. A.; Jones, Ashley; Sheese, Patrick E.; Boone, Chris D.; Bernath, Peter F.; Manney, Gloria L.

    2016-04-01

    Measurements of carbon-containing species, referred to herein as "hydrocarbons", are important components needed for describing and understanding the influence of natural and anthropogenic emissions on atmospheric chemistry. Analysis of the global pattern of hydrocarbons contributes to our understanding of the influence of regional and seasonal variation in air pollution and natural fire events. The Atmospheric Chemistry Experiment Fourier Transform Spectrometer (ACE-FTS) has monitored trace gases in the upper troposphere and stratosphere based on solar occultation measurements for more than ten years. In this study, we investigate the global pattern of seven "hydrocarbon" species (CO, C2H6, C2H2, HCN, H2CO, CH3OH, and HCOOH) and OCS using the ACE-FTS version 3.5 dataset from 2004 to 2013. All hydrocarbons show strong seasonal variation and regional differences, but the detailed pattern differs according to the speciation of the hydrocarbons. For example, in the Northern Hemisphere, CO, C2H6, and C2H2 show the highest mixing ratios in winter, but high CH3OH and HCOOH appear in summer. In the Southern hemisphere, H2CO, HCN, and HCOOH show high mixing ratios in springtime. These patterns indicate the impact of different emission sources including fuel combustion, wildfire emission, and chemical production. By calculating correlations with CO, these results can provide useful information to characterize each hydrocarbon emission. The ACE-FTS measurements have also been compared with GEOS-Chem output to examine the model performance and spatiotemporal patterns in the simulations.

  20. A Role of the Reaction Kernel in Propagation and Stabilization of Edge Diffusion Flames of C1-C3 Hydrocarbons

    NASA Technical Reports Server (NTRS)

    Takahashi, Fumiaki; Katta, Viswanath R.

    2003-01-01

    Diffusion flame stabilization is of essential importance in both Earth-bound combustion systems and spacecraft fire safety. Local extinction, re-ignition, and propagation processes may occur as a result of interactions between the flame zone and vortices or fire-extinguishing agents. By using a computational fluid dynamics code with a detailed chemistry model for methane combustion, the authors have revealed the chemical kinetic structure of the stabilizing region of both jet and flat-plate diffusion flames, predicted the flame stability limit, and proposed diffusion flame attachment and detachment mechanisms in normal and microgravity. Because of the unique geometry of the edge of diffusion flames, radical back-diffusion against the oxygen-rich entrainment dramatically enhanced chain reactions, thus forming a peak reactivity spot, i.e., reaction kernel, responsible for flame holding. The new results have been obtained for the edge diffusion flame propagation and attached flame structure using various C1-C3 hydrocarbons.

  1. Multiuser Droplet Combustion Apparatus Developed to Conduct Combustion Experiments

    NASA Technical Reports Server (NTRS)

    Myhre, Craig A.

    2001-01-01

    A major portion of the energy produced in the world today comes from the combustion or burning of liquid hydrocarbon fuels in the form of droplets. However, despite vigorous scientific examinations for over a century, researchers still lack a full understanding of many fundamental combustion processes of liquid fuels. Understanding how these fuel droplets ignite, spread, and extinguish themselves will help us develop more efficient ways of energy production and propulsion, as well as help us deal better with the problems of combustion-generated pollution and fire hazards associated with liquid combustibles. The ability to conduct more controlled experiments in space, without the complication of gravity, provides scientists with an opportunity to examine these complicated processes closely. The Multiuser Droplet Combustion Apparatus (MDCA) supports this continued research under microgravity conditions. The objectives are to improve understanding of fundamental droplet phenomena affected by gravity, to use research results to advance droplet combustion science and technology on Earth, and to address issues of fire hazards associated with liquid combustibles on Earth and in space. MDCA is a multiuser facility designed to accommodate different combustion science experiments. The modular approach permits the on-orbit replacement of droplet combustion principal investigator experiments such as different fuels, droplet-dispensing needles, and droplet-tethering mechanisms. Large components such as the avionics, diagnostics, and base-plate remain on the International Space Station to reduce the launch mass of new experiments. MDCA is also designed to operate in concert with ground systems on Earth to minimize the involvement of the crew during orbit.

  2. 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.

  3. 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.

  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. 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.

  6. 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.

  7. Apparatus for hydrocarbon extraction

    SciTech Connect

    Bohnert, George W.; Verhulst, Galen G.

    2013-03-19

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

  8. Combustion physics

    NASA Astrophysics Data System (ADS)

    Jones, A. R.

    1985-11-01

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

  9. Low NOx combustion using cogenerated oxygen and nitrogen streams

    DOEpatents

    Kobayashi, Hisashi; Bool, Lawrence E.; Snyder, William J.

    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.

  10. Free-radicals aided combustion with scramjet applications

    NASA Technical Reports Server (NTRS)

    Yang, Yongsheng; Kumar, Ramohalli

    1992-01-01

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

  11. 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.

  12. 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.

  13. 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.

  14. Plasma Assisted Combustion: Fundamental Studies and Engine Applications

    NASA Astrophysics Data System (ADS)

    Lefkowitz, Joseph K.

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

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

    DOEpatents

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

    1998-01-01

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

  16. System for examining burning based on traditional fuel sources for internal-combustion engines

    SciTech Connect

    Nazarov, I.P.; Naumov, S.V.; Prostov, V.N.

    1983-11-01

    An experimental system is described for examining stable turbulent combustion of various fuels in a burner having a cylindrical channel. Results are presented on the formation of nitric oxide in the combustion of hydrocarbon fuels with the addition of water in the burner and in internal-combustion engines.

  17. Fate of partially oxidised hydrocarbons in the UT: Reaction of OH with acetaldehyde, formaldehyde and methanol.

    NASA Astrophysics Data System (ADS)

    Sivakumaran, V.; Cameron, M.; Dillon, T. J.; Hoelscher, D.; Horowitz, A.; Crowley, J. N.

    2003-04-01

    Partially Oxidised Hydrocarbons (POH) strongly influence the formation of HOx and ozone in the upper troposphere [1]. POH are formed in the atmosphere as intermediates in the oxidation of methane non-methane hydrocarbons and are also directly emitted in the boundary layer as a result of biogenic processes and from combustion systems. Although the OH initiated oxidation is an important sink of many POH, the available kinetic data for the reaction of OH with formaldehyde, acetaldehyde and methanol relevant to upper tropospheric temperatures (210-240 K) is limited, and the measured rate constants have a large uncertainties [2]. Also there is a lack of definitive product and mechanistic data for these reactions. We present new, highly accurate rate constants for reaction of OH with formaldehyde, acetaldehyde and methanol at temperatures down to 201 K. We also present direct measurements of branching ratios to the various thermodynamically accessible product channels of these reactions. 1. Singh, H., et al., Evidence from the Pacific troposphere for large global sources of oxygenated organic compounds. Nature, 410, 2001, 1078-1081. 2. Atkinson, R., et al., Evaluated kinetic and photochemical data for atmospheric chemistry, organic species: Supplement VII. IUPAC subcommittee on gas kinetic data evaluation for atmospheric chemistry. J. Phys. Chem. Ref. Data, 28, 1999. 191-393.

  18. Organic and petroleum chemistry for nonchemists

    SciTech Connect

    Schmerling, L.

    1981-01-01

    A nontechnical book dealing with organic and petroleum chemistry is presented. The contents include: elements and compounds; hydrocarbons; equations; alcohols and phenols; aldehydes; ketones; carboxylic acids; esters; acid halides; amides, and anhydrides; petroleum; and a glossary of compounds. (JMT)

  19. 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.

  20. 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.

  1. Biofuels combustion.

    PubMed

    Westbrook, Charles K

    2013-01-01

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

  2. 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

  3. Biofuels combustion*

    DOE PAGES

    Westbrook, Charles K.

    2013-01-04

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

  4. Biofuels combustion*

    SciTech Connect

    Westbrook, Charles K.

    2013-01-04

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

  5. Biofuels Combustion

    NASA Astrophysics Data System (ADS)

    Westbrook, Charles K.

    2013-04-01

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

  6. 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

    2015-11-21

    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.

  7. 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

    2015-11-21

    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

  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. 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.

  10. 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.

  11. 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.

  12. Advanced Chemistry Basins Model

    SciTech Connect

    William Goddard; Mario Blanco; Lawrence Cathles; Paul Manhardt; Peter Meulbroek; Yongchun Tang

    2002-11-10

    The DOE-funded Advanced Chemistry Basin model project is intended to develop a public domain, user-friendly basin modeling software under PC or low end workstation environment that predicts hydrocarbon generation, expulsion, migration and chemistry. The main features of the software are that it will: (1) afford users the most flexible way to choose or enter kinetic parameters for different maturity indicators; (2) afford users the most flexible way to choose or enter compositional kinetic parameters to predict hydrocarbon composition (e.g., gas/oil ratio (GOR), wax content, API gravity, etc.) at different kerogen maturities; (3) calculate the chemistry, fluxes and physical properties of all hydrocarbon phases (gas, liquid and solid) along the primary and secondary migration pathways of the basin and predict the location and intensity of phase fractionation, mixing, gas washing, etc.; and (4) predict the location and intensity of de-asphaltene processes. The project has be operative for 36 months, and is on schedule for a successful completion at the end of FY 2003.

  13. 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.

  14. Spherical Combustion Layer in a TNT Explosion

    SciTech Connect

    Kuhl, A L; Ferguson, R E

    2001-12-09

    A theoretical model of combustion in spherical TNT explosions at large Reynolds, Peclet and Damk hler numbers is described. A key feature of the model is that combustion is treated as material transformations in the Le Chatelier plane, rather than ''heat release''. In the limit considered here, combustion is concentrated on thin exothermic sheets (boundaries between fuel and oxidizer). The products expand along the sheet, thereby inducing vorticity on either side of the sheet that continues to feed the process. The results illustrate the linking between turbulence (vorticity) and exothermicity (dilatation) in the limit of fast chemistry thereby demonstrating the controlling role that fluid dynamics plays in such problems.

  15. 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.

  16. 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.

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

    SciTech Connect

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

    2014-01-14

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

  18. Mechanisms of Hydrocarbon Based Polymer Etch

    NASA Astrophysics Data System (ADS)

    Lane, Barton; Ventzek, Peter; Matsukuma, Masaaki; Suzuki, Ayuta; Koshiishi, Akira

    2015-09-01

    Dry etch of hydrocarbon based polymers is important for semiconductor device manufacturing. The etch mechanisms for oxygen rich plasma etch of hydrocarbon based polymers has been studied but the mechanism for lean chemistries has received little attention. We report on an experimental and analytic study of the mechanism for etching of a hydrocarbon based polymer using an Ar/O2 chemistry in a single frequency 13.56 MHz test bed. The experimental study employs an analysis of transients from sequential oxidation and Ar sputtering steps using OES and surface analytics to constrain conceptual models for the etch mechanism. The conceptual model is consistent with observations from MD studies and surface analysis performed by Vegh et al. and Oehrlein et al. and other similar studies. Parameters of the model are fit using published data and the experimentally observed time scales.

  19. Addition agents effects on hydrocarbon fuels burning

    NASA Astrophysics Data System (ADS)

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

    2016-01-01

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

  20. 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.

  1. 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).

  2. 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.

  3. 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.

  4. 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.

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

    DOEpatents

    Coleman, Gerald N.; Kesse, Mary L.

    2007-10-30

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

  6. 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.

  7. Photocatalyzed oxidation of hydrocarbons in zeolite cages

    SciTech Connect

    Frei, H.; Blatter, F.; Sun, H.

    1996-06-01

    Oxidation of hydrocarbons by molecular oxygen is a key process in chemical industry. But reactions that use O{sub 2} as the primary oxidant often produce large amounts of unwanted byproducts. One major reason that selectivities are low is that the desired products (such as alcohols or carbonyls) are more easily oxidized by O{sub 2} than the parent hydrocarbon. The authors recently discovered a simple method that gives partial oxidation of small alkenes, alkanes, and alkyl-substituted benzenes by O{sub 2} at unprecedented selectivity, even at high conversion of the hydrocarbon. The approach is based on visible light-induced chemistry of hydrocarbon-O{sub 2} collisional pairs in the cages of large-pore zeolites. Reactions are conducted at ambient temperature in the absence of solvent or photosensitizer. Here the authors describe the most interesting reactions established thus far and define issues that pertain to scale-up of the method.

  8. A detailed kinetic mechanism including methanol and nitrogen pollutants relevant to the gas-phase combustion and pyrolysis of biomass-derived fuels

    SciTech Connect

    Coda Zabetta, Edgardo; Hupa, Mikko

    2008-01-15

    A detailed chemical kinetic mechanism for the simulation of the gas-phase combustion and pyrolysis of biomass-derived fuels was compiled by assembling selected reaction subsets from existing mechanisms (parents). The mechanism, here referred to as ''AaA,'' includes reaction subsets for the oxidation of hydrogen (H{sub 2}), carbon monoxide (CO), light hydrocarbons (C{sub 1} and C{sub 2}), and methanol (CH{sub 3}OH). The mechanism also takes into account reaction subsets of nitrogen pollutants, including the reactions relevant to staged combustion, reburning, and selective noncatalytic reduction (SNCR). The AaA mechanism was validated against suitable experimental data from the literature. Overall, the AaA mechanism gave more accurate predictions than three other mechanisms of reference, although the reference mechanisms performed better occasionally. The predictions from AaA were also found to be consistent with the predictions of its parent mechanisms within most of their range of validity, thus transferring the validity of the parents to the inheriting mechanism (AaA). In parametric studies the AaA mechanism predicted that the effect of methanol on combustion and pollutants is often similar to that of light hydrocarbons, but it also showed that there are important exceptions, thus suggesting that methanol should be taken into account when simulating biomass combustion. To our knowledge, the AaA mechanism is currently the only mechanism that accounts for the chemistry of methanol and nitrogen relevant to the gas-phase combustion and pyrolysis of biomass-derived fuels. (author)

  9. 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

  10. Electrically heated particulate filter regeneration using hydrocarbon adsorbents

    SciTech Connect

    Gonze, Eugene V

    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.

  11. 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.

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

    NASA Astrophysics Data System (ADS)

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

    2007-05-01

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

  13. Design concept for LOX/hydrocarbon tripropellant booster engine

    NASA Technical Reports Server (NTRS)

    Visek, W. A., Jr.

    1987-01-01

    The design concept for a LOX/hydrocarbon tripropellant booster engines is discussed. The engine design is for the gas generator cycle with liquid methane, liquid oxygen, and liquid hydrogen as propellants, the latter greatly reducing risks associated with the high-pressure reusable hydrocarbon booster engines. The design features high combustion stability and high efficiency. The excellent cooling capability of liquid hydrogen was established in several operational engine designs. Multiple design diagrams are included.

  14. Application of thermal desorption to the development of a gas chromatographic/mass spectrometric method for the determination of toluene, chlorinated aromatic hydrocarbons, and 2,3,7,8-tetrachlorodibenzo-p-dioxin in combustion emissions.

    PubMed

    Donaldson, John D; Grimes, Susan M; Mehta, Lina; Jafari, Ahmad J

    2003-01-01

    A fast and accurate analytical method, which uses commercially available adsorbents (Tenax TA, Carbotrap B and C, and Carbosieve S-III), was developed for the sampling and determination of aromatic hydrocarbons, chloroaromatic compounds, and 2,3,7,8-tetrachlorodibenzo-p-dioxin. The breakthrough volume data show that Carbotrap C has a good capacity for compounds of high molecular weight, whereas Carbosieve S-III and Tenax TA are efficient for volatile compounds. The organic components are thermally desorbed and transferred to a gas chromatograph/mass spectrometer. Importantly, thermal desorption avoids conventional solvent extraction procedures and also allows reuse of adsorbent tubes. Preliminary results for recovery of analytes from tubes packed with single adsorbent prove that a single-adsorbent bed is not capable of sampling a wide range of compounds. The best method to obtain the desired collection and desorption properties is to use adsorbent tubes containing several different materials. The results of optimization studies are summarized. PMID:12607738

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

    NASA Astrophysics Data System (ADS)

    Abplanalp, Matthew J.; Kaiser, Ralf I.

    2016-08-01

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

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

    NASA Astrophysics Data System (ADS)

    Abplanalp, Matthew J.; Kaiser, Ralf I.

    2016-08-01

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

  17. 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

  18. 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.

  19. 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)

  20. Garbage to hydrocarbon fuel conversion system

    SciTech Connect

    Gould, W.A.

    1986-07-15

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

  1. 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

  2. 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

  3. A new technique for measuring gas conversion factors for hydrocarbon mass flowmeters

    NASA Technical Reports Server (NTRS)

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

    1983-01-01

    A technique for measuring calibration conversion factors for hydrocarbon mass flowmeters was developed. It was applied to a widely used type of commercial thermal mass flowmeter for hydrocarbon gases. The values of conversion factors for two common hydrocarbons measured using this technique are in good agreement with the empirical values cited by the manufacturer. Similar agreements can be expected for all other hydrocarbons. The technique is based on Nernst theorem for matching the partial pressure of oxygen in the combustion product gases with that in normal air. It is simple, quick and relatively safe--particularly for toxic/poisonous hydrocarbons.

  4. 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.

  5. Towards a detailed soot model for internal combustion engines

    SciTech Connect

    Mosbach, Sebastian; Celnik, Matthew S.; Raj, Abhijeet; Kraft, Markus; Zhang, Hongzhi R.; Kubo, Shuichi; Kim, Kyoung-Oh

    2009-06-15

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

  6. 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.

  7. Hybrid lean premixing catalytic combustion system for gas turbines

    DOEpatents

    Critchley, Ian L.

    2003-12-09

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

  8. Photoionization mass spectrometry of combustion radicals. Final technical report

    SciTech Connect

    Cool, T.A.

    1998-12-31

    Fundamental research on the combustion of halogenated organic compounds with emphasis on reaction pathways leading to the formation of chlorinated organic compounds and the development of continuous emission monitoring methods will assist in DOE efforts in the management and control of hazardous chemical wastes. Selective laser ionization techniques are used in the laboratory for the measurement of concentration profiles of radical intermediates in chlorinated hydrocarbon flames. A novel flame-sampling VUV laser photoionization mass spectrometer, constructed with DOE funding, is in use for these studies. Progress is reported here on the use of this new facility in the development, refinement, and verification of chemical kinetic models describing the thermal destruction of toxic chlorocarbons commonly found in chemical wastes. In the past two years the author has used the flame sampling VUV laser ionization mass spectrometer system for studies of chlorocarbon-doped methane/oxygen flames. Relative concentration profiles and photoionization efficiency curves have been measured for over two-dozen key reaction intermediates. Preliminary kinetic models have been developed that promise an improved understanding of chlorocarbon chemistry under laboratory flame conditions.

  9. 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.

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

    NASA Astrophysics Data System (ADS)

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

    2002-01-01

    The Fluids and Combustion Facility (FCF) is a multi-rack payload planned for the International Space Station that will enable the study of fluid physics and combustion science in a microgravity environment. The Combustion Integrated Rack (CIR) is one of two International Standard Payload Racks of the FCF and is being designed primarily to support combustion science experiments. It is currently in the Flight Unit Build phase. The Multi-user Droplet Combustion Apparatus (MDCA) is a multi-user facility designed to accommodate four different droplet combustion science experiments and is the first payload for CIR. MDCA is currently in the Engineering Model build phase. Launch of the CIR and MDCA is planned for 2004. The CIR will function independently until the later launch of the Fluids Integrated Rack component of the FCF. This paper provides an overview of the capabilities and the development status of the CIR and MDCA. The CIR will contain the hardware and software required to support combustion experiments in space. It will contain an optics bench, combustion chamber, fuel oxidizer and management assembly, exhaust vent system, diagnostic cameras, power, environment control system, command and data management system, and a passive rack isolation system. Additional hardware will be installed in the chamber and on the optics bench that is customized for each science investigation. The chamber insert may provide the sample holder, small ignition source, and small diagnostics such as thermocouples and radiometers. The combustion experiments that may be conducted in the FCF include, but are not limited to, the study of laminar flames, reaction kinetics, droplet and spray combustion, flame spread, fire and fire suppressants, condensed phase organic fuel combustion, turbulent combustion, soot and polycyclic aromatic hydrocarbons, and materials synthesis. It is expected that the facility will provide most of the hardware, with a small amount of unique hardware developed for

  11. Propellant Chemistry for CFD Applications

    NASA Technical Reports Server (NTRS)

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

    1996-01-01

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

  12. Combustion instability modeling and analysis

    SciTech Connect

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

    1995-10-01

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

  13. A coupled multi-block solution procedure for spray combustion in complex geometries

    NASA Technical Reports Server (NTRS)

    Chen, Kuo-Huey; Shuen, Jian-Shun

    1993-01-01

    Turbulent spray-combusting flow in complex geometries is presently treated by a coupled implicit procedure that employs finite-rate chemistry and real gas properties for combustion, as well as the stochastic separated model for spray and a multiblock treatment for complex geometries. Illustrative numerical tests conducted encompass a steady-state nonreacting backward-facing step flow, a premixed single-phase combustion flow, and spray combustion flow in a gas turbine combustor.

  14. Hydrocarbon product stripping

    SciTech Connect

    Harandi, M.N.; Owen, H.; Siuta, M.T.

    1989-04-18

    A method is described for stripping light gasiform components from the liquid effluent of a catalytic hydrodesulfurization process, which comprises separating the liquid effluent containing relatively low boiling hydrocarbon components, relatively high boiling hydrocarbon components, hydrogen, and hydrogen sulfide.

  15. 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.

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

    SciTech Connect

    Schmoltner, A.-M.

    1989-10-01

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

  17. 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.

  18. Early events in radiation chemistry and in photoionization

    SciTech Connect

    Trifunac, A.D.; Loffredo, D.M.; Liu, A.-D.

    1992-01-01

    Real-time studies of aliphatic and aromatic hydrocarbons by pulse radiolysis and laser photoionization reveal the chemistry of the ionic species in the condensed phase. The occurrence of radical cation reactions with solvent molecules provides the core mechanism capable of explaining a wide range of observations in photoionization and radiation chemistry. The study of products and transients in photoionization of aromatic solutes in hydrocarbon and alcohol solvent illustrates several details of this high-energy'' chemistry. A reaction pathway involving ion-molecule reaction of excited ions is indicated for a series of polycyclic aromatic hydrocarbons photoionized using intense excimer laser (248 and 308 nm) pulses in hydrocarbon and alcohol solutions. We have found that condensed-phase ion-molecule reactions in radiolysis are ubiquitous and we speculate on their overall role in hydrocarbon radiolysis.

  19. Early events in radiation chemistry and in photoionization

    SciTech Connect

    Trifunac, A.D.; Loffredo, D.M.; Liu, A.-D.

    1992-12-31

    Real-time studies of aliphatic and aromatic hydrocarbons by pulse radiolysis and laser photoionization reveal the chemistry of the ionic species in the condensed phase. The occurrence of radical cation reactions with solvent molecules provides the core mechanism capable of explaining a wide range of observations in photoionization and radiation chemistry. The study of products and transients in photoionization of aromatic solutes in hydrocarbon and alcohol solvent illustrates several details of this ``high-energy`` chemistry. A reaction pathway involving ion-molecule reaction of excited ions is indicated for a series of polycyclic aromatic hydrocarbons photoionized using intense excimer laser (248 and 308 nm) pulses in hydrocarbon and alcohol solutions. We have found that condensed-phase ion-molecule reactions in radiolysis are ubiquitous and we speculate on their overall role in hydrocarbon radiolysis.

  20. 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…

  1. 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)

  2. 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)

  3. 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)

  4. Colour Chemistry

    ERIC Educational Resources Information Center

    Griffiths, J.; Rattee, I. D.

    1973-01-01

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

  5. 40 CFR 60.2020 - What combustion units are exempt from this subpart?

    Code of Federal Regulations, 2010 CFR

    2010-07-01

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

  6. 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.

  7. 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.

  8. 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.

  9. Fuel Flexibility in Combustion

    SciTech Connect

    Freeman, M.C.; O'Dowd, W.J.; Mathur, M.P.; Walbert, G.F.

    2001-11-06

    , the coproduction/cogeneration concepts embodied in Vision 21 may also lend itself well to the type of utility/industry partnering involved in cofiring approaches. In light of the cost limitations in shipping distance (e.g., 50-100 miles or less) from collection to end-use based on the low energy density of biomass, resource availability is a site-specific consideration. Biomass fuels also exhibit significant differences in fuel characteristics, including volatility and ash chemistry that can also influence cofiring performance. Pilot-scale biomass cofiring tests have been conducted in the 150 kWt Combustion and Environmental Research Facility (CERF). A key aspect of the present work is to examine biomass char conversion for a range of initial particle sizes at various residence times for combustion relative to fuel processing/handling issues. In addition, a number of biomass cofiring R&D as well as full-scale utility demonstrations are providing technical insights to assist in cofiring technology commercialization. The paper will also discuss research plans, including lignin cofiring for ethanol/power co-production, novel concepts involving animal waste utilization, advanced combustion studies, and tri-firing concepts with other fuels.

  10. 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.

  11. 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.

  12. 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.

  13. Combustion 2000

    SciTech Connect

    2000-06-30

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

  14. A laboratory scale supersonic combustive flow system

    SciTech Connect

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

    1995-02-01

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

  15. Ether and hydrocarbon production

    SciTech Connect

    Harandi, M.N.; Owen, H.

    1991-03-19

    This patent describes a continuous process for converting lower aliphatic alkanol and olefinic hydrocarbon to alkyl tertiary-alkyl ethers and C{sub 5} + gasoline boiling range hydrocarbons. It comprises contacting alkanol and a light olefinic hydrocarbon stream rich in isobutylene and other C{sub 4} isomeric hydrocarbons under iso-olefin etherification conditions in an etherification reaction zone containing acid etherification catalyst; separating etherification effluent to recover a light stream comprising unreacted alkanol and light olefinic hydrocarbon and a liquid product stream containing alkyl tertiary-butyl ether; and contacting the light stream with acidic, medium pore metallosilicate catalyst under alkanol and hydrocarbon conversion conditions whereby C{sub 5} + gasoline boiling range hydrocarbons are produced.

  16. 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

    . 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

  17. 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...

  18. Modeling complex chemical effects in turbulent nonpremixed combustion

    NASA Technical Reports Server (NTRS)

    Smith, Nigel S. A.

    1995-01-01

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

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

    PubMed

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

    2011-04-01

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

  20. Trace Chemistry

    NASA Technical Reports Server (NTRS)

    Radhakrishnan, Krishnan; Whitefield, Philip

    1999-01-01

    , 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

  1. Evolution and current understanding of physicochemical characterization of particulate matter from reactivity controlled compression ignition combustion on a multicylinder light-duty engine

    DOE PAGES

    Storey, John Morse; Curran, Scott J.; Lewis, Samuel A.; Barone, Teresa L.; Dempsey, Adam B.; Moses-DeBusk, Melanie; Hanson, Reed M.; Prikhodko, Vitaly Y.; Northrop, William F.

    2016-08-04

    Low-temperature compression ignition combustion can result in nearly smokeless combustion, as indicated by a smoke meter or other forms of soot measurement that rely on absorbance due to elemental carbon content. Highly premixed low-temperature combustion modes do not form particulate matter in the traditional pathways seen with conventional diesel combustion. Previous research into reactivity controlled compression ignition particulate matter has shown, despite a near zero smoke number, significant mass can be collected on filter media used for particulate matter certification measurement. In addition, particulate matter size distributions reveal that a fraction of the particles survive heated double-dilution conditions. This papermore » summarizes research completed at Oak Ridge National Laboratory to date on characterizing the nature, chemistry and aftertreatment considerations of reactivity controlled compression ignition particulate matter and presents new research highlighting the importance of injection strategy and fuel composition on reactivity controlled compression ignition particulate matter formation. Particle size measurements and the transmission electron microscopy results do show the presence of soot particles; however, the elemental carbon fraction was, in many cases, within the uncertainty of the thermal–optical measurement. Particulate matter emitted during reactivity controlled compression ignition operation was also collected with a novel sampling technique and analyzed by thermal desorption or pyrolysis gas chromatography mass spectroscopy. Particulate matter speciation results indicated that the high boiling range of diesel hydrocarbons was likely responsible for the particulate matter mass captured on the filter media. Finally, to investigate potential fuel chemistry effects, either ethanol or biodiesel were incorporated to assess whether oxygenated fuels may enhance particle emission reduction.« less

  2. 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.

  3. 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

  4. 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

  5. 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 ...

  6. Ignition/combustion processes

    NASA Technical Reports Server (NTRS)

    Pryor, D. E.

    1985-01-01

    The overall objectives for this initial technology are to generate an advanced, comprehensive combustion analytical code, and to verify the combustion flow dynamic predictions from this model with hot test experimental data.

  7. Programmed combustion steam generator

    SciTech Connect

    Wagner, W.R.

    1984-08-14

    The present invention provides a steam generator which comprises rocket-type multielement injector head and a small diameter, highly elongated, cylindrical combustion chamber whose walls are formed from a plurality of longitudinally adjoined water tubes. The multielement injector head injects an array of associating streams of fuel and oxidizer into the combustion chamber under sufficient pressure to maintain a combustion pressure in the range of 25-150 psia whereupon the narrowness of the combustion chamber serves to constrict the resultant combustion gases to thereby promote radiant and convective heat transfer from the flame of combustion through the walls of the combustion chamber into the water passing through the water tubes. By such arrangement the production of nitrogen oxides in the combustion chamber is avoided.

  8. 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)

  9. 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.

  10. Oxidative conversion of methane to higher hydrocarbons

    SciTech Connect

    Sofranko, J.A.; Leonard, J.J.; Jones, C.A.

    1987-02-01

    Many transition metal oxides have been evaluated as oxidative coupling catalysts for converting methane to C/sub 2/ and higher hydrocarbons. Reactions were done in a cyclic redox mode in which oxidized catalyst was reacted with methane in the absence of oxygen to form coupling products and reduced catalyst which was reoxidized with air in a separate step. Manganese, indium, germanium, antimony, tin, bismuth, and lead oxides were found to be effective coupling catalysts, giving 10 to 50% selectivity to higher hydrocarbons. Silica is a superior support compared to alumina. Mechanistic studies with manganese oxide on silica indicate that the initial coupling product is ethane which is formed via dimerization of a CH/sub 3/ radical-like species. The ethane is oxidatively dehydrogenated to ethylene which may react with CH/sub 3/ to give propylene. The major path for combustion involves sequential oxidation of products.

  11. Internal combustion engine with multiple combustion chambers

    SciTech Connect

    Gruenwald, D.J.

    1992-05-26

    This patent describes a two-cycle compression ignition engine. It comprises one cylinder, a reciprocable piston moveable in the cylinder, a piston connecting rod, a crankshaft for operation of the piston connecting rod, a cylinder head enclosing the cylinder, the upper surface of the piston and the enclosing surface of the cylinder head defining a cylinder clearance volume, a first combustion chamber and a second combustion chamber located in the cylinder head. This patent describes improvement in means for isolating the combustion process for one full 360{degrees} rotation of the crankshaft; wherein the combustion chambers alternatively provide for expansion of combustion products in the respective chambers into the cylinder volume near top dead center upon each revolution of the crankshaft.

  12. Maximal combustion temperature estimation

    NASA Astrophysics Data System (ADS)

    Golodova, E.; Shchepakina, E.

    2006-12-01

    This work is concerned with the phenomenon of delayed loss of stability and the estimation of the maximal temperature of safe combustion. Using the qualitative theory of singular perturbations and canard techniques we determine the maximal temperature on the trajectories located in the transition region between the slow combustion regime and the explosive one. This approach is used to estimate the maximal temperature of safe combustion in multi-phase combustion models.

  13. Risk assessment of nitrated polycyclic aromatic hydrocarbons

    SciTech Connect

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

    1993-06-01

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

  14. 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.

  15. Homogeneous catalysts in hypersonic combustion

    SciTech Connect

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

    1989-01-01

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

  16. Source term evaluation for combustion modeling

    NASA Technical Reports Server (NTRS)

    Sussman, Myles A.

    1993-01-01

    A modification is developed for application to the source terms used in combustion modeling. The modification accounts for the error of the finite difference scheme in regions where chain-branching chemical reactions produce exponential growth of species densities. The modification is first applied to a one-dimensional scalar model problem. It is then generalized to multiple chemical species, and used in quasi-one-dimensional computations of shock-induced combustion in a channel. Grid refinement studies demonstrate the improved accuracy of the method using this modification. The algorithm is applied in two spatial dimensions and used in simulations of steady and unsteady shock-induced combustion. Comparisons with ballistic range experiments give confidence in the numerical technique and the 9-species hydrogen-air chemistry model.

  17. Hydrocarbon emissions and health risks from cookstoves in developing countries.

    PubMed

    Zhang, J; Smith, K R

    1996-01-01

    The nonmethane hydrocarbon emissions from several types of cookstoves commonly used in developing countries were measured in a pilot study conducted in Manila, the Philippines. Four types of fuel, i.e., wood, charcoal, kerosene, and liquefied petroleum gas (LPG), were tested. Because kerosene was burned in three different types of stoves, there were six fuel/stove combinations tested. Fifty-nine nonmethane hydrocarbons were identified frequently in emissions of these cookstoves, with emission ratios to CO2 up to 5.3 x 10(-3). The emissions were quantitated with emission factors on both a mass basis (emissions/kg fuel) and a task basis (emissions/cooking task). On a task basis, combustion of biomass fuels (wood and charcoal) generally produced higher emission factors than combustion of fossil fuels (kerosene and LPG). One type of kerosene stove (wick stove), however, still generated the greatest emissions of some individual and classes of hydrocarbons, indicating that emissions were dependent on not only fuel types but also combustion devices. Some hydrocarbons, e.g., benzene, 1,3-butadiene, styrene, and xylenes, were of concern because of their carcinogenic properties. The lifetime risk from exposures to these compounds emitted from cookstoves was tentatively estimated by using a simple exposure model and published cancer potencies. PMID:8792294

  18. 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.

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

    SciTech Connect

    Jenkins, P.E.

    1992-10-15

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

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

    NASA Technical Reports Server (NTRS)

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

    1951-01-01

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

  1. 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…

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

    NASA Astrophysics Data System (ADS)

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

    2015-12-01

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

  3. Hydrocarbon emissions speciation in diesel and biodiesel exhausts

    NASA Astrophysics Data System (ADS)

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

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

  4. Recovering hydrocarbons from hydrocarbon-containing vapors

    DOEpatents

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

    1980-09-30

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

  5. 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.

  6. Combustion and flow modelling applied to the OMV VTE

    NASA Technical Reports Server (NTRS)

    Larosiliere, Louis M.; Jeng, San-Mou

    1990-01-01

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

  7. 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.

  8. 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.

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

    PubMed

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

    2014-09-22

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

  10. Ethylene oxidation chemistry in a well-stirred reactor

    SciTech Connect

    Marinov, N.; Malte, P.

    1994-09-01

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

  11. 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...

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

    NASA Technical Reports Server (NTRS)

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

    1977-01-01

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

  13. Hydrocarbon Ions in the Ionospheres of Titan and Jupiter

    NASA Technical Reports Server (NTRS)

    Fox, J. L.

    1995-01-01

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

  14. 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.

  15. 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.

  16. 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.

  17. 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.

  18. 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.

  19. 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.

  20. Boiler using combustible fluid

    DOEpatents

    Baumgartner, H.; Meier, J.G.

    1974-07-03

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

  1. 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.

  2. 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.

  3. 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.

  4. 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)

  5. 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.

  6. 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.

  7. Natural hydrocarbons, urbanization, and urban ozone

    NASA Astrophysics Data System (ADS)

    Cardelino, C. A.; Chameides, W. L.

    1990-08-01

    Using the Atlanta metropolitan area as a case study, we 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°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 area's 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 NOx-based ozone abatement strategy appears to be less sensitive to temperature increases than does a hydrocarbon-based strategy, a NOx strategy may prove to be more effective in the future if temperatures continue to rise as a result of urbanization and the "greenhouse effect".

  8. 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)

  9. 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)

  10. 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)

  11. 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)

  12. 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)

  13. 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)

  14. 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.

  15. 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.

  16. 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.

  17. Lump wood combustion process

    NASA Astrophysics Data System (ADS)

    Kubesa, Petr; Horák, Jiří; Branc, Michal; Krpec, Kamil; Hopan, František; Koloničný, Jan; Ochodek, Tadeáš; Drastichová, Vendula; Martiník, Lubomír; Malcho, Milan

    2014-08-01

    The article deals with the combustion process for lump wood in low-power fireplaces (units to dozens of kW). Such a combustion process is cyclical in its nature, and what combustion facility users are most interested in is the frequency, at which fuel needs to be stoked to the fireplace. The paper defines the basic terms such as burnout curve and burning rate curve, which are closely related to the stocking frequency. The fuel burning rate is directly dependent on the immediate thermal power of the fireplace. This is also related to the temperature achieved in the fireplace, magnitude of flue gas losses and the ability to generate conditions favouring the full burnout of the fuel's combustible component, which, at once ensures the minimum production of combustible pollutants. Another part of the paper describes experiments conducted in traditional fireplaces with a grate, at which well-dried lump wood was combusted.

  18. 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.

  19. 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.

  20. Organic chemistry on Titan

    NASA Technical Reports Server (NTRS)

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

    1978-01-01

    Observations of nonequilibrium phenomena on the Saturn satellite Titan indicate the occurrence of organic chemical evolution. Greenhouse and thermal inversion models of Titan's atmosphere provide environmental constraints within which various pathways for organic chemical synthesis are assessed. Experimental results and theoretical modeling studies suggest that the organic chemistry of the satellite may be dominated by two atmospheric processes: energetic-particle bombardment and photochemistry. Reactions initiated in various levels of the atmosphere by cosmic ray, Saturn wind, and solar wind particle bombardment of a CH4 - N2 atmospheric mixture can account for the C2-hydrocarbons, the UV-visible-absorbing stratospheric haze, and the reddish color of the satellite. Photochemical reactions of CH4 can also account for the presence of C2-hydrocarbons. In the lower Titan atmosphere, photochemical processes will be important if surface temperatures are sufficiently high for gaseous NH3 to exist. Hot H-atom reactions initiated by photo-dissociation of NH3 can couple the chemical reactions of NH3 and CH4 and produce organic matter.

  1. 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.

  2. Combustion pressure sensor

    SciTech Connect

    Bettman, M.

    1986-04-29

    A combustion pressure sensor is described for mounting on an internal combustion engine so as to have access to the interior of a combustion cylinder. The sensor consists of: a first diaphragm means adjacent a combustion region for deflecting as a function of the magnitude of adjacent pressure in the combustion region, and for acting as a gas tight seal between the combustion region and an interior volume of the combustion pressure sensor means; a second diaphragm means, spaced from the first diaphragm means, for deflecting as a function of the deflection of the first diaphragm and generating a signal indicative of the deflection of the second diaphragm means; a force transmitting means located between the first diaphragm means and the second diaphragm means for transmitting movement from the first diaphragm means to the second diaphragm means, and for reducing the speed and amplitude of heat tramsmission from the first diaphragm means to the second diaphragm means; and the second diaphragm including a steel member having a portion coated with an electrically insulating glass enamel, upon which is formed a thick film piezoresistor for use as a thick film resistive strain gauge and overlapping thick film conductor terminations for use as electrically conductive contacts, the thick film piezoresistor having a baseline resistance which can be temperature compensated by resistance measurement between successive combustion firings in the interior of the combustion cylinder.

  3. 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.

  4. 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.

  5. Supersonic combustion engine and method of combustion initiation and distribution

    SciTech Connect

    Stickler, D.B.; Ballantyne, A.; Kyuman Jeong.

    1993-06-29

    A supersonic combustion ramjet engine having a combustor with a combustion zone intended to channel gas flow at relatively high speed therethrough, the engine comprising: means for substantially continuously supplying fuel into the combustion zone; and means for substantially instantaneously igniting a volume of fuel in the combustion zone for providing a spatially controlled combustion distribution, the igniting means having means for providing a diffuse discharge of energy into the volume, the volume extending across a substantially complete cross-sectional area of the combustion zone, the means for discharging energy being capable of generating free radicals within the volume of reactive fuel in the combustion zone such that fuel in the volume can initiate a controlled relatively rapid combustion of fuel in the combustion zone whereby combustion distribution in relatively high speed gas flows through the combustion zone can be initiated and controlled without dependence upon a flame holder or relatively high local static temperature in the combustion zone.

  6. 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.

  7. Membrane separation of hydrocarbons

    DOEpatents

    Funk, Edward W.; Kulkarni, Sudhir S.; Chang, Y. Alice

    1986-01-01

    Mixtures of heavy oils and light hydrocarbons may be separated by passing the mixture over a polymeric membrane which comprises a polymer capable of maintaining its integrity in the presence of hydrocarbon compounds at temperature ranging from about ambient to about 100.degree. C. and pressures ranging from about 50 to about 1000 psi. The membranes which possess pore sizes ranging from about 10 to about 500 Angstroms are cast from a solvent solution and recovered.

  8. 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.

  9. 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.

  10. Measurement of polynuclear aromatic hydrocarbon concentrations in the plume of Kuwait oil well fires

    SciTech Connect

    Olsen, K.B.; Wright, C.W.; Veverka, C.; Ball, J.C.; Stevens, R.

    1995-03-01

    Following their retreat from Kuwait during February and March of 1991, the Iraqi Army set fire to over 500 oil wells dispersed throughout the Kuwait oil fields. During the period of sampling from July to August 1991, it was estimated that between 3.29 {times} 10{sup 6} barrels per day of crude oil were combusted. The resulting fires produced several plumes of black and white smoke that coalesced to form a composite ``super`` plume. Because these fires were uncontrolled, significant quantities of organic materials were dispersed into the atmosphere and drifted throughout the Middle East. The organic particulants associated with the plume of the oil well fires had a potential to be rich in polynuclear aromatic hydrocarbon (PAH) compounds. Based on the extreme mutagenic and carcinogenic activities of PAHs found in laboratory testing, a serious health threat to the population of that region potentially existed. Furthermore, the Kuwait oil fire plumes represented a unique opportunity to study the atmospheric chemistry associated with PAHs in the plume. If samples were collected near the plume source and from the plume many kilometers downwind from the source, comparisons could be made to better understand atmospheric reactions associated with particle-bound and gas-phase PAHs. To help answer health-related concerns and to better understand the fate and transport of PAHs in an atmospheric environment, a sampling and analysis program was developed.

  11. Chemical and biological availability of hydrocarbons in urban harbor sediments

    USGS Publications Warehouse

    LeBlanc, L.A.; Brownawell, Bruce J.

    2002-01-01

    The degradation of saturated and aromatic hydrocarbons was studied in batch slurry experiments conducted with field-aged sediments, highly impacted by hydrocarbon pollution. Experiments focused on examining the effects of desorption limitations to hydrocarbon mineralization and degradation. Degradation of PAH (e.g., naphthalene, fluorene, acenaphthene) and saturated hydrocarbons was examined in field-aged sediments collected from four sites in greater NY Harbor and western Long Island Sound. The sites were Rikers Island in far western Long Island Sound, Williamsburg Bridge in the East River, Shooters Island in the Arthur Kill, and the Kill Van Kull off Bayonne, New Jersey. Patterns of hydrocarbon desorption and degradation in weathered sediments were complicated by the mixed combustion and oil-derived hydrocarbon sources, and differed markedly from patterns seen in sediments following an oil spill. Rates of degradation in experiments with spiked sediments, especially over short timescales, did not appear to be limited by rates of desorption. This is an abstract of a paper presented at the 224th ACS National Meeting (Boston, MA 8/18-22/2002).

  12. Molecular Aluminum Additive for Burn Enhancement of Hydrocarbon Fuels.

    PubMed

    Guerieri, Philip M; DeCarlo, Samantha; Eichhorn, Bryan; Connell, Terrence; Yetter, Richard A; Tang, Xin; Hicks, Zachary; Bowen, Kit H; Zachariah, Michael R

    2015-11-12

    Additives to hydrocarbon fuels are commonly explored to change the combustion dynamics, chemical distribution, and/or product integrity. Here we employ a novel aluminum-based molecular additive, Al(I) tetrameric cluster [AlBrNEt3]4 (Et = C2H5), to a hydrocarbon fuel and evaluate the resultant single-droplet combustion properties. This Al4 cluster offers a soluble alternative to nanoscale particulate additives that have recently been explored and may mitigate the observed problems of particle aggregation. Results show the [AlBrNEt3]4 additive to increase the burn rate constant of a toluene-diethyl ether fuel mixture by ∼20% in a room temperature oxygen environment with only 39 mM of active aluminum additive (0.16 wt % limited by additive solubility). In comparison, a roughly similar addition of nano-aluminum particulate shows no discernible difference in burn properties of the hydrocarbon fuel. High speed video shows the [AlBrNEt3]4 to induce microexplosive gas release events during the last ∼30% of the droplet combustion time. We attribute this to HBr gas release based on results of temperature-programmed reaction (TPR) experiments of the [AlBrNEt3]4 dosed with O2 and D2O. A possible mechanism of burn rate enhancement is presented that is consistent with microexplosion observations and TPR results. PMID:26488461

  13. The role of isovalency in the reactions of the cyano (CN), boron monoxide (BO), silicon nitride (SiN), and ethynyl (C2H) radicals with unsaturated hydrocarbons acetylene (C2H2) and ethylene (C2H4).

    PubMed

    Parker, D S N; Mebel, A M; Kaiser, R I

    2014-04-21

    The classification of chemical reactions based on shared characteristics is at the heart of the chemical sciences, and is well exemplified by Langmuir's concept of isovalency, in which 'two molecular entities with the same number of valence electrons have similar chemistries'. Within this account we further investigate the ramifications of the isovalency of four radicals with the same X(2)Σ(+) electronic structure - cyano (CN), boron monoxide (BO), silicon nitride (SiN), and ethynyl (C2H), and their reactions with simple prototype hydrocarbons acetylene (C2H2) and ethylene (C2H4). The fact that these four reactants own the same X(2)Σ(+) electronic ground state should dictate the outcome of their reactions with prototypical hydrocarbons holding a carbon-carbon triple and double bond. However, we find that other factors come into play, namely, atomic radii, bonding orbital overlaps, and preferential location of the radical site. These doublet radical reactions with simple hydrocarbons play significant roles in extreme environments such as the interstellar medium and planetary atmospheres (CN, SiN and C2H), and combustion flames (C2H, BO). PMID:24418936

  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

  15. 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.

  16. ASRM combustion instability studies

    NASA Technical Reports Server (NTRS)

    Strand, L. D.

    1992-01-01

    The objectives of this task were to measure and compare the combustion response characteristics of the selected propellant formulation for the Space Shuttle Advanced Solid Rocket Motor (ASRM) with those of the current Redesigned Solid Rocket Motor (RSRM) formulation. Tests were also carried out to characterize the combustion response of the selected propellant formulation for the ASRM igniter motor.

  17. 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.

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

    NASA Astrophysics Data System (ADS)

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

    2016-02-01

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

  19. The dynamics of flash fires involving flammable hydrocarbon liquids.

    PubMed

    DeHaan, J D

    1996-03-01

    Victims of fires are sometimes discovered to have less-than-lethal levels of carbon monoxide (CO) in the blood and no significant antemortem fire damage. Such occurrences are often linked to flash fires involving volatile hydrocarbon fuels. In this study, the dynamics of hydrocarbon fuel fires are examined, and the results of fullscale room tests ignited with small (< 2 L) quantities of flammable liquid are found to confirm the theoretical predictions. These tests showed that flame plumes with temperatures of 500-975 degrees C were produced above flammable liquids. Ignition of their vapors in a carpeted room produced a very short-lived flash of fire throughout the room, followed by intense flames in a layer above the floor approximately 1 m deep, which quickly degenerated to isolated pools of low flames. Combustion of hydrocarbon vapors in a room caused oxygen levels to drop below 8.5% in < 100 s, while causing carbon dioxide (CO2) levels to increase to 12-16% whether the door to the room was open or closed. Production of CO trailed maximum CO2 production by 15-30 s. A victim exposed to such a fire may collapse from extreme heat (aided by the water vapor created by the combustion of hydrocarbons), weakened by oxygen deprivation, before CO inhalation becomes a significant factor.

  20. 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.

  1. Chemistry Experiments

    NASA Technical Reports Server (NTRS)

    Brasseur, Guy; Remsberg, Ellis; Purcell, Patrick; Bhatt, Praful; Sage, Karen H.; Brown, Donald E.; Scott, Courtney J.; Ko, Malcolm K. W.; Tie, Xue-Xi; Huang, Theresa

    1999-01-01

    The purpose of the chemistry component of the model comparison is to assess to what extent differences in the formulation of chemical processes explain the variance between model results. Observed concentrations of chemical compounds are used to estimate to what degree the various models represent realistic situations. For readability, the materials for the chemistry experiment are reported in three separate sections. This section discussed the data used to evaluate the models in their simulation of the source gases and the Nitrogen compounds (NO(y)) and Chlorine compounds (Cl(y)) species.

  2. Japan's microgravity combustion science program

    NASA Technical Reports Server (NTRS)

    Sato, Junichi

    1993-01-01

    Most of energy used by us is generated by combustion of fuels. On the other hand, combustion is responsible for contamination of our living earth. Combustion, also, gives us damage to our life as fire or explosive accidents. Therefore, clean and safe combustion is now eagerly required. Knowledge of the combustion process in combustors is needed to achieve proper designs that have stable operation, high efficiency, and low emission levels. However, current understanding on combustion is far from complete. Especially, there is few useful information on practical liquid and solid particle cloud combustion. Studies on combustion process under microgravity condition will provide many informations for basic questions related to combustors.

  3. 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

  4. Method for producing hydrocarbon fuels and fuel gas from heavy polynuclear hydrocarbons by the use of molten metal halide catalysts

    DOEpatents

    Gorin, Everett

    1979-01-01

    In a process for hydrocracking heavy polynuclear carbonaceous feedstocks to produce lighter hydrocarbon fuels by contacting the heavy feedstocks with hydrogen in the presence of a molten metal halide catalyst in a hydrocracking zone, thereafter separating at least a major portion of the lighter hydrocarbon fuels from the spent molten metal halide and thereafter regenerating the spent molten metal halide by incinerating the spent molten metal halide by combustion of carbon and sulfur compounds in the spent molten metal halide in an incineration zone, the improvement comprising: (a) contacting the heavy feedstocks and hydrogen in the presence of the molten metal halide in the hydrocracking zone at reaction conditions effective to convert from about 60 to about 90 weight percent of the feedstock to lighter hydrocarbon fuels; (b) separating at least a major portion of the lighter hydrocarbon fuels from the spent molten metal halide; (c) contacting the spent molten metal halide with oxygen in a liquid phase gasification zone at a temperature and pressure sufficient to vaporize from about 25 to about 75 weight percent of the spent metal halide, the oxygen being introduced in an amount sufficient to remove from about 60 to about 90 weight percent of the carbon contained in the spent molten metal halide to produce a fuel gas and regenerated metal halide; and (d) incinerating the spent molten metal halide by combusting carbon and sulfur compounds contained therein.

  5. Chemical Kinetic Modeling of Combustion of Automotive Fuels

    SciTech Connect

    Pitz, W J; Westbrook, C K; Silke, E J

    2006-11-10

    The objectives of this report are to: (1) Develop detailed chemical kinetic reaction models for components of fuels, including olefins and cycloalkanes used in diesel, spark-ignition and HCCI engines; (2) Develop surrogate mixtures of hydrocarbon components to represent real fuels and lead to efficient reduced combustion models; and (3) Characterize the role of fuel composition on production of emissions from practical automotive engines.

  6. One century of air deposition of hydrocarbons recorded in travertine in North Tibetan Plateau, China: Sources and evolution.

    PubMed

    Yuan, Guo-Li; Wu, Ming-Zhe; Sun, Yong; Li, Jun; Li, Jing-Chao; Wang, Gen-Hou

    2016-08-01

    The characteristic distribution patterns of hydrocarbons have been used for fingerprinting to identify their sources. The historical air depositions of hydrocarbons recorded in natural media help to understand the evolution of the air environment. Travertine is a natural acceptor of air deposition that settles on the ground layer by layer. To reconstruct the historical air environment of hydrocarbons in the North Tibetan Plateau (NTP), a unique background region, twenty-seven travertine samples were collected systematically from a travertine column according to its precipitated year. For each sample, the precipitated year was dated while n-alkanes and polycyclic aromatic hydrocarbons (PAHs) were determined. Based on source identification, the air environment of hydrocarbons in the past century was studied for the region of NTP. Before World War II, the anthropogenic sources of hydrocarbons showed little influence on the air environment. During World War II and China's War of Liberation, hydrocarbons increased significantly, mainly from the use of fossil fuels. Between 1954 and 1963, hydrocarbons in the air decreased significantly because the sources of petroleum combustion decreased. From the mid-1960s through the end of the 1990s, air hydrocarbons, which mainly originated from biomass burning, increased gradually because agriculture and animal husbandry were developing steadily in Tibet and China. From the late 1990s, hydrocarbons in the atmosphere increased rapidly due to the rapid increase of tourism activities, which might increase hydrocarbon emissions from traffic. The reconstruction of the historical air hydrocarbons in NTP clearly reflects the evolution of the region and global development.

  7. 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…

  8. 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…

  9. 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…

  10. Chemistry Notes

    ERIC Educational Resources Information Center

    School Science Review, 1972

    1972-01-01

    Short articles on the alkylation of aniline, the preparation and properties of perbromate, using scrap copper in chemistry instruction, a safe method of burning hydrogen, and the use of an ion-charge model as an alternative to the mole concept in secondary school instruction. (AL)

  11. 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…

  12. 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…

  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, 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)

  15. Chemistry Notes.

    ERIC Educational Resources Information Center

    School Science Review, 1980

    1980-01-01

    Presents 12 chemistry notes for British secondary school teachers. Some of these notes are: (1) a simple device for testing pH-meters; (2) portable fume cupboard safety screen; and (3) Mass spectroscopy-analysis of a mass peak. (HM)

  16. Combustion modeling and kinetic rate calculations for a stoichiometric cyclohexane flame. 1. Major reaction pathways.

    PubMed

    Zhang, Hongzhi R; Huynh, Lam K; Kungwan, Nawee; Yang, Zhiwei; Zhang, Shaowen

    2007-05-17

    The Utah Surrogate Mechanism was extended in order to model a stoichiometric premixed cyclohexane flame (P = 30 Torr). Generic rates were assigned to reaction classes of hydrogen abstraction, beta scission, and isomerization, and the resulting mechanism was found to be adequate in describing the combustion chemistry of cyclohexane. Satisfactory results were obtained in comparison with the experimental data of oxygen, major products and important intermediates, which include major soot precursors of C2-C5 unsaturated species. Measured concentrations of immediate products of fuel decomposition were also successfully reproduced. For example, the maximum concentrations of benzene and 1,3-butadiene, two major fuel decomposition products via competing pathways, were predicted within 10% of the measured values. Ring-opening reactions compete with those of cascading dehydrogenation for the decomposition of the conjugate cyclohexyl radical. The major ring-opening pathways produce 1-buten-4-yl radical, molecular ethylene, and 1,3-butadiene. The butadiene species is formed via beta scission after a 1-4 internal hydrogen migration of 1-hexen-6-yl radical. Cascading dehydrogenation also makes an important contribution to the fuel decomposition and provides the exclusive formation pathway of benzene. Benzene formation routes via combination of C2-C4 hydrocarbon fragments were found to be insignificant under current flame conditions, inferred by the later concentration peak of fulvene, in comparison with benzene, because the analogous species series for benzene formation via dehydrogenation was found to be precursors with regard to parent species of fulvene. PMID:17388269

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

    NASA Astrophysics Data System (ADS)

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

    2016-07-01

    Thermal protection of heat-stressed surfaces of a high-speed vehicle flying in dense layers of atmosphere is one of the topical issues. Not of a less importance is also the problem of hydrocarbon fuel combustion in a supersonic air flow. In the concept under development, it is supposed that in the most high-stressed parts of airframe and engine, catalytic thermochemical reactors will be installed, wherein highly endothermic processes of steam conversion of hydrocarbon fuel take place. Simultaneously with heat absorption, hydrogen generation will occur in the reactors. This paper presents the results of a study of conversion of hydrocarbon fuel in a slit reactor.

  18. A preliminary study of total petrogenic hydrocarbon distribution in Setiu Wetland, southern South China Sea (Malaysia).

    PubMed

    Suratman, S; Tahir, N Mohd; Latif, M T

    2012-05-01

    The distribution of total petrogenic hydrocarbon was investigated in the subsurface water of Setiu Wetland from July to October 2008. The concentration was quantified by UV-fluorescence spectroscopy and ranged from 4 to 121 μg/L (mean 60 ± 41 μg/L). Higher total petrogenic hydrocarbon concentrations were found in area with high boating activities suggesting that the contribution is likely related to fossil fuel combustion. The present study also revealed that the total petrogenic hydrocarbon values are still lower that those reported in Malaysian coastal waters.

  19. Electronic spectroscopy of transient species in solid neon: the indene-motif polycyclic hydrocarbon cation family C9Hy(+) (y = 7-9) and their neutrals.

    PubMed

    Nagy, Adam; Garkusha, Iryna; Fulara, Jan; Maier, John P

    2013-11-28

    In this Perspective the development and application of a mass-selective matrix isolation approach, employed with success over the last two decades in the spectroscopic characterization of numerous ions and neutral reactive species, is illustrated with original data for hydrocarbon cations and neutrals with a six- and a five-membered carbon ring fused. The setup allows for the electronic and vibrational assessment of these isolated molecules and ions in the inert neon environment. The transient species of interest are chosen due to their astrophysical relevance, and the role they play in flames, plasmas, combustion, organic reactions and atmospheric chemistry. Electronic absorption and fluorescence spectra of indene-related polycyclic aromatic hydrocarbon derivatives, C9Hy(+) (y = 7-9) cations, are presented. The ions were produced in a discharge source and investigated by means of absorption and emission spectroscopies after selectively trapping them in 6 K neon matrices. Photoconversion between the two C9H8(+) indenylium isomers and, upon irradiation, H2 loss from C9H9(+) were observed. Corresponding neutral species C9Hy are identified by photobleaching the matrices containing the cations.

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

    DOE PAGES

    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