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. Proceedings of the Combustion Institute, Volume 28, 2000/pp. 16631669 COMBUSTION CHEMISTRY OF PROPANE: A CASE STUDY OF DETAILED

    E-print Network

    Wang, Hai

    1663 Proceedings of the Combustion Institute, Volume 28, 2000/pp. 1663­1669 COMBUSTION CHEMISTRY Detailed chemical reaction mechanisms describing hydrocarbon combustion chemistry are conceptually to small-hydrocarbon combustion data are secure foundations upon which to optimize the rate parameters

  3. Chemistry on Polycyclic Aromatic Hydrocarbons

    NASA Astrophysics Data System (ADS)

    Hornekaer, Liv

    Chemistry on Polycyclic Aromatic Hydrocarbons Even though Polycyclic Aromatic Hydrocarbons (PAHs) are ubiquitous in the interstellar medium, the role they play as catalysts for interstellar chemistry is still largely unexplored. However, existing experimental data and theoretical calculations indicate that PAHs may well play a very active role, in particular in connection with the formation of molecular hydrogen. These findings may explain observations of increased molecular hydrogen formation rates in Photodissociation regions with high PAH abundances. In my talk I will present temperature programmed desorption data demonstrating the formation of highly super-hydrogenated PAHs via hydrogen addition reactions and catalytic formation of molecular hydrogen via abstraction reactions at a wide range of H atom temperatures. Approximate cross-sections for these reactions derived via model simulations will be presented. The implications for the role played by PAHs in interstellar chemistry will be discussed.

  4. Odorization of combustible hydrocarbon gases

    SciTech Connect

    Yoshida, T.; Katz, I.; Warren, C. B.; Wiener, C.

    1984-12-11

    Described is a warning agent for the odorization of gaseous hydrocarbon fuels based on mixtures of at least one of the compounds, 2-methooxy-3-isobutyl pyrazine and 4-methyl-4-mercapto-2-pentanone with a monomercaptan or a sulfide.

  5. Effect of Hydrogen Enriched Hydrocarbon Combustion on Emissions and Performance

    Microsoft Academic Search

    Jacob Wall

    The principle of this mode of combustion is to add a percentage of hydrogen gas to the combustion reactions of either compression or spark ignition engines. The addition of hydrogen has been shown to decrease the formation of NOx, CO and unburned hydrocarbons. Studies have shown that added hydrogen in percentages as low as 5-10% percent of the hydrocarbon fuel

  6. Combustion chemistry of solid propellants

    NASA Technical Reports Server (NTRS)

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

    1974-01-01

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

  7. Ab initio study of chain branching reactions in the combustion and atmospheric degradation mechanisms of hydrocarbons

    Microsoft Academic Search

    Alexander C Davis

    2011-01-01

    The increased interest in energy efficiency and the shift towards employing alternative fuels prompts the need for a deeper understanding of the chemistry of traditional and alternative fuel. Traditional fuels are comprised primarily of branched, unbranched and cyclic alkanes. During both their combustion and atmospheric decomposition mechanisms, these hydrocarbons form several key radical species including branched alkyl, n-alkyl, s-alkyl, alkylperoxy,

  8. 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.

  9. Combustion of hydrocarbon fuels within porous inert media

    Microsoft Academic Search

    J. R. Howell; M. J. Hall; J. L. Ellzey

    1996-01-01

    There has been a recent surge of interest in the combustion of hydrocarbon fuels within porous inert media. The interest has been directed by the needs of industry to develop high performance radiant heaters while complying with increasingly stringent emissions regulations. This paper reviews the processes associated with non-catalytic combustion within porous media, and describes related experimental and modeling research.

  10. Combustion Kinetics and Emission Characteristics of Polycyclic Aromatic Hydrocarbons from Polylactic Acid Combustion

    Microsoft Academic Search

    Yi-Chi Chien; Chenju Liang; Shou-Heng Liu; Shu-Hua Yang; Krzysztof Gaska; Lingjuan Wang; Edgar Oviedo-Rondon; John Small; Zifei Liu; Brian Sheldon; Gerald Havenstein; C. Williams; Di Tian; Daniel Cohan; Sergey Napelenok; Michelle Bergin; Yongtao Hu; Michael Chang; Armistead Russell; Ye Xu; Guohe Huang; Xiaosheng Qin; Kuo-Pin Yu; Grace Lee; Guo-Hao Huang; Prabhakar Sharma; Tjalfe Poulsen; William Vizuete; Leiran Biton; Harvey Jeffries; Evan Couzo; Maciej Kryza; Malgorzata Werner; Marek Blas; Anthony Dore; Mieczyslaw Sobik; Daniel Olsen; Morgan Kohls; Gregg Arney; Kaushlendra Singh; L. Risse; K. C. Das; John Worley; Sidney Thompson; Bryan Comer; James Corbett; J. Hawker; Karl Korfmacher; Earl Lee; Chris Prokop; James Winebrake

    2010-01-01

    This study investigates the combustion kinetics and emission factors of 16 U.S. Environmental Protection Agency priority polycyclic aromatic hydrocarbons (PAHs) in polylactic acid (PLA) combustion. Experimentally, two reactions are involved in the PLA combustion process that potentially result in the release of lactide, acetaldehyde, and n-hexaldehyde. The products may continuously be oxidized to form carbon dioxide (CO2) and some PAHs

  11. Phase space structure for reaction mechanisms of hydrocarbon combustion

    E-print Network

    Gorban, Alexander N.

    National Laboratory, Argonne, Illinois, US Modern reaction mechanisms for hydrocarbon combustion are very large, with hundreds or thousands of species and even a greater number of reactions, so it is useful mechanism that describes the behavior of 18 species and a propane mechanism with over 100 species

  12. Biofuel combustion chemistry: from ethanol to biodiesel.

    PubMed

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

    2010-05-10

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

  13. Turbulent hydrocarbon combustions kinetics - Stochastic modeling and verification

    NASA Technical Reports Server (NTRS)

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

    1989-01-01

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

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

    E-print Network

    Paris-Sud XI, Université de

    A filtered tabulated chemistry model for LES of premixed combustion B. Fiorinaa , R. Vicquelina to turbulent combustion regimes by including subgrid scale wrinkling effects in the flame front propagation Simulation, Turbulent premixed combustion, Tabulated chemistry 1. Introduction Flame ignition and extinction

  15. Critical reaction rates in hypersonic combustion chemistry

    SciTech Connect

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

    1989-01-01

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

  16. 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.

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

    Microsoft Academic Search

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

    2009-01-01

    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

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

    Microsoft Academic Search

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

    2009-01-01

    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

  19. A chemical kinetic modeling study of chlorinated hydrocarbon combustion

    SciTech Connect

    Pitz, W.J.; Westbrook, C.K.

    1990-09-05

    The combustion of chloroethane is modeled as a stirred reactor so that we can study critical emission characteristics of the reactor as a function of residence time. We examine important operating conditions such as pressure, temperature, and equivalence ratio and their influence on destructive efficiency of chloroethane. The model uses a detailed chemical kinetic mechanism that we have developed previously for C{sub 3} hydrocarbons. We have added to this mechanism the chemical kinetic mechanism for C{sub 2} chlorinated hydrocarbons developed by Senkan and coworkers. In the modeling calculations, sensitivity coefficients are determined to find which reaction-rate constants have the largest effect on destructive efficiency. 24 refs., 6 figs., 1 tab.

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

    SciTech Connect

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

    1987-01-01

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

  1. Spiking of Hydrocarbon Fuels with Silanes-based Combustion Enhancers

    NASA Astrophysics Data System (ADS)

    Hidding, Bernhard; Fikri, Mustapha; Bozkurt, Metehan; Schulz, Christof; Soltner, Theresa; Kornath, Andreas; Pfitzner, Michael; Lang, Martin; Adamczyk, Andrew J.; Broadbelt, Linda; Ellerbrock, Hartwig; Simone, Domenico; Bruno, Claudio

    The concept of spiking hydrocarbon fuels such as kerosenes with liquid silicon hydrides in order to render the fuel combination hypergolic and to improve the combustion efficiency is presented and preliminarily analyzed. In view of scarcity of available data, various approaches are used, among them quantum-mechanical ab initio calculations for the thermodynamics and shock-tube measurements for the kinetics of higher, liquid silanes. Based on these results and other data, performance predictions indicate that miscible hydrocarbon/silicon hydride fuels (HC/SH) have the potential to be stored in a single tank, to be hypergolic with many oxidizers, and to yield similar, partly better specific impulses (and volume-specific impulses) than hydrocarbon fuels without silane additives. A variety of hybrid HC/SH fuel combinations seems to be accessible, which might offer the possibility to design a fuel combination with characteristics adjustable in a wide range. The current and future availability of larger amounts of liquid silanes is discussed.

  2. 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

  3. 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.

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

    SciTech Connect

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

    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.

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

    E-print Network

    Hydrocarbon-fueled internal combustion engines: "the worst form of vehicle propulsion... except of Southern California, Los Angeles, CA 90089-1453 Introduction Hydrocarbon-fueled internal combustion engines system paradigm are discussed. First a definition of an internal combustion engine is needed

  6. An Array of Photodiodes for Monitoring Hydrocarbons Combustions Burners

    NASA Astrophysics Data System (ADS)

    Arias, P. Luis; Torres, I. Sergio; Sbárbaro, H. Daniel; Farías, F. Oscar

    2008-04-01

    A non-intrusive method for monitoring hydrocarbons, gas and oil flames, is introduced in this paper. The method is based in a radiometry measurement of the flame, which is implemented by using an array of silicon photodiodes with interference optical filters. The array is designed to cover wavelengths for evaluating the formation and behaviour of excited CH* and C2* radicals. These radicals CH* and C2* can be detected at centre wavelengths of 432 nm and 516 nm respectively. The radiometry analysis for monitoring non-confined oil flames was checked by a radiometer, using crosscorrelation data. These radicals are also measured for gas flames in the reaction region for a confined flame. Simple and low cost electronic was designed to drive the array of silicon photodiodes and they were set in an optical system and in a data acquisition system. The tests reported demonstrate that the flame condition can be adequately monitored for different air excess, different axial position as well as for different firing rate. Indeed, experimental test were taken for two power level: low and high firing rate. The fast response, the non-intrusive character and the instantaneous measurement of information make the proposed optical sensor a key to develop advances control strategies, which can be used successfully in combustion processes.

  7. Turbulence-Chemistry Interaction in Lean Premixed Hydrogen Combustion

    E-print Network

    Bell, John B.

    or hydrogen-rich mixtures obtained from gasi- fication of coal or biomass. These types of fuels provide cleanTurbulence-Chemistry Interaction in Lean Premixed Hydrogen Combustion A. J. Aspden1,2 , M. S. Day2 simulation of lean premixed hydrogen flames at an equiv- alence ratio of = 0.4 over a range of turbulence

  8. Parallel Performance of a Combustion Chemistry Simulation Gregg Skinner

    E-print Network

    Padua, David

    Parallel Performance of a Combustion Chemistry Simulation Gregg Skinner Rudolf Eigenmann Center. 1 Introduction Numerical simulations of reactive ow are widely used for problems such as controlling Agency and by Army contract #DABT63-92-C-0033. This work is not necessarily representative

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

    SciTech Connect

    Yang, B.; Pope, S.B. [Cornell Univ., Ithaca, NY (United States). Sibley School of Mechanical Aerospace Engineering] [Cornell Univ., Ithaca, NY (United States). Sibley School of Mechanical Aerospace Engineering

    1998-01-01

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

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

    PubMed

    Comandini, A; Malewicki, T; Brezinsky, K

    2012-03-15

    An experimental investigation of phenyl radical pyrolysis and the phenyl radical + acetylene reaction has been performed to clarify the role of different reaction mechanisms involved in the formation and growth of polycyclic aromatic hydrocarbons (PAHs) serving as precursors for soot formation. Experiments were conducted using GC/GC-MS diagnostics coupled to the high-pressure single-pulse shock tube present at the University of Illinois at Chicago. For the first time, comprehensive speciation of the major stable products, including small hydrocarbons and large PAH intermediates, was obtained over a wide range of pressures (25-60 atm) and temperatures (900-1800 K) which encompass the typical conditions in modern combustion devices. The experimental results were used to validate a comprehensive chemical kinetic model which provides relevant information on the chemistry associated with the formation of PAH compounds. In particular, the modeling results indicate that the o-benzyne chemistry is a key factor in the formation of multi-ring intermediates in phenyl radical pyrolysis. On the other hand, the PAHs from the phenyl + acetylene reaction are formed mainly through recombination between single-ring aromatics and through the hydrogen abstraction/acetylene addition mechanism. Polymerization is the common dominant process at high temperature conditions. PMID:22339468

  11. Combustion chemistry and an evolving transportation fuel environment.

    SciTech Connect

    Taatjes, Craig A. (Org. 8353, Combustion Chemistry Department)

    2010-05-01

    The world currently faces tremendous energy challenges stemming from the need to curb potentially catastrophic anthropogenic climate change. In addition, many nations, including the United States, recognize increasing political and economic risks associated with dependence on uncertain and limited energy sources. For these and other reasons the chemical composition of transportation fuels is changing, both through introduction of nontraditional fossil sources, such as oil sands-derived fuels in the US stream, and through broader exploration of biofuels. At the same time the need for clean and efficient combustion is leading engine research towards advanced low-temperature combustion strategies that are increasingly sensitive to this changing fuel chemistry, particularly in the areas of pollutant formation and autoignition. I will highlight the new demands that advanced engine technologies and evolving fuel composition place on investigations of fundamental reaction chemistry. I will focus on recent progress in measuring product formation in elementary reactions by tunable synchrotron photoionization, on the elucidation of pressure-dependent effects in the reactions of alkyl and substituted alkyl radicals with O{sub 2}, and on new combined efforts in fundamental combustion chemistry and engine performance studies of novel potential biofuels.

  12. Direct numerical simulation of turbulent non-premixed combustion with realistic chemistry

    Microsoft Academic Search

    W. K. Bushe; R. W. Bilger

    1. Motivation and objectives Combustion is an important phenomenon in many engineering applications; com- bustion of hydrocarbons is still by far the most common source of energy in the world. In virtually every application of combustion processes, the flow in which the chemical reactions are taking place is turbulent. Furthermore, the combustion process itself is usually described by a very

  13. 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.

  14. UV absorption of CO2 for temperature diagnostics of hydrocarbon combustion applications

    E-print Network

    Lee, Tonghun

    UV absorption of CO2 for temperature diagnostics of hydrocarbon combustion applications J, at temperatures above 1000 K the CO2 absorption cross-section becomes significant in the region between 200 of the absorption cross-section and the shape of the UV absorption spectrum vary strongly with temperature

  15. Unimolecular reactions of peroxy radicals in atmospheric chemistry and combustion.

    PubMed

    Glowacki, David R; Pilling, Michael J

    2010-12-17

    Peroxy radicals can undergo isomerisation and dissociation reactions in competition with reactions with NO and with other peroxy radicals. Such a competition is central to the recently proposed mechanism for OH regeneration in the atmospheric oxidation of isoprene. The occurrence of peroxy radical isomerisation reactions in both combustion and atmospheric chemistry is discussed, and exemplified by reference to the peroxy radicals formed from the C(2)H(5), CH(3)CO, HO-C(2)H(2) and HO-C(6)H(6) radicals. The discussion is based on the use of electronic structure and master equation calculations to interpret experimental results. PMID:20815008

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

    SciTech Connect

    Lu Liuyan [Sibley School of Mechanical and Aerospace Engineering, Cornell University, Upson Hall 245, Ithaca, NY 14853 (United States)], E-mail: lu.liuyan@gmail.com; Lantz, Steven R. [Center for Advanced Computing, Cornell University, Ithaca, NY 14853 (United States); Ren Zhuyin; Pope, Stephen B. [Sibley School of Mechanical and Aerospace Engineering, Cornell University, Upson Hall 245, Ithaca, NY 14853 (United States)

    2009-08-20

    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{sub m}pi, which is a Fortran 95 library for facilitating many parallel evaluations of a general vector function. The relative performance of the parallel ISAT strategies is investigated in different computational regimes via the PDF calculations of multiple partially stirred reactors burning methane/air mixtures. The results show that the performance of ISAT with a fixed distribution strategy strongly depends on certain computational regimes, based on how much memory is available and how much overlap exists between tabulated information on different processors. No one fixed strategy consistently achieves good performance in all the regimes. Therefore, an adaptive distribution strategy, which blends PLP, URAN and PREF, is devised and implemented. It yields consistently good performance in all regimes. In the adaptive parallel ISAT strategy, the type and extent of redistribution is determined 'on the fly' based on the prediction of future simulation time. Compared to the PLP/ISAT strategy where chemistry calculations are essentially serial, a speed-up factor of up to 30 is achieved. The study also demonstrates that the adaptive strategy has acceptable parallel scalability.

  17. CHEMISTRY OF METHANE AND RELATED HYDROCARBONS IN THE ATMOSPHERE OF MARS.

    E-print Network

    CHEMISTRY OF METHANE AND RELATED HYDROCARBONS IN THE ATMOSPHERE OF MARS. F. Lefèvre, LATMOS, Paris, France (franck.lefevre@latmos.ipsl.fr), E. Hébrard, Laboratoire d'Astrophysique de Bordeaux, Bordeaux

  18. A Comparative Study of Eight Finite-Rate Chemistry Kinetics for CO/H-2 Combustion

    SciTech Connect

    Marzouk, OA; Huckaby ED

    2010-09-01

    We compare the performance and computational cost of 8 kinetic models (3 global and 5 elementary) that describe the finite-rate chemistry of syngas combustion. We apply them in simulating a turbulent jet flame with syngas diluted by 30% nitrogen. We model the turbulence by a modified k-epsilon model and the turbulence-chemistry interaction by the partially stirred reactor approach. To integrate the chemistry equations, we nominally use explicit fifth-order embedded Runge-Kutta ODE solver. But semi-implicit Bulirsch-Stoer and implicit Euler were also used. The computational time depends on the number of reaction steps and the ODE solver. Five models overpredict the maximum flame temperature (by 200 K-320 K). Two models underpredict it by 240 K and 580 K. The global model that is based on the Westbrook-Dryer (1981) model for hydrocarbon fuels gives the best agreement with measurements, and also has low computational demand. Therefore, it is recommended for modeling turbulent syngas flames.

  19. 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

  20. Combustion characteristics of hydrogen–hydrocarbon hybrid fuels

    Microsoft Academic Search

    Ahsan R Choudhuri; S. R Gollahalli

    2000-01-01

    A comparative study of the flame structure and characteristics of diffusion flames of the mixture of hydrogen–hydrocarbon (natural gas and propane) hybrid fuel in a slow co-flowing stream of air is presented. The volumetric content of natural gas and propane in the mixture was varied from 0–35%. The burner exit Reynolds number was varied from 150–3000. Measurements include flame length,

  1. Photographic combustion characterization of LOX/Hydrocarbon type propellants

    NASA Technical Reports Server (NTRS)

    Judd, D. C.

    1980-01-01

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

  2. Effect of laser radiation and electric field on combustion of hydrocarbon-air mixtures

    Microsoft Academic Search

    P. K. Tretyakov; A. V. Tupikin; V. N. Zudov

    2009-01-01

    Publications on combustion of hydrocarbon-air mixtures under the action of a weak electric field and laser radiation are analyzed.\\u000a A specific feature of the authors’ experimental study is a pulsed-periodic action of an electric field and focused laser radiation,\\u000a which does not lead to electric discharge or optical breakdown. Numerous experiments reveal a noticeable effect of weak electric\\u000a fields on

  3. Kinetic processes in the plasma formed in combustion of hydrocarbon fuels

    Microsoft Academic Search

    A. M. Starik; A. M. Savel’ev; N. S. Titova

    2011-01-01

    An analysis of the basic kinetic processes responsible for the formation of ions, electrons, charged and neutral carbon clusters\\u000a and particles of nanometer size in the combustion of hydrocarbon fuels has been made. It has been shown that the formation\\u000a of a polydisperse ensemble of positively and negatively charged particles is mainly caused by the ion adhesion to primary\\u000a particles

  4. Speciated Hydrocarbon Emissions from the Combustion of Single Component Fuels. I. Effect of Fuel Structure

    Microsoft Academic Search

    W. O. Siegel; R. W. McCabe; W. Chun; E. W. Kaiser; J. Perry; Y. I. Henig; F. H. Trinker; R. W. Anderson

    1992-01-01

    Speciated hydrocarbon emissions data have been collected for six single-component fuels run in a laboratory pulse flame combustor (PFC). The six fuels include n-heptane, isooctane (2, 2, 4-trimethylpentane), cyclohexane, 1-hexene, toluene, and methyl-t-butyl ether (MTBE: an oxygenated fuel extender). Combustion of non-aromatic fuels in the PFC (at a fuel\\/air equivalence ratio of ? = 1.02) produced low levels of unburned

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

    NASA Technical Reports Server (NTRS)

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

    1980-01-01

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

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

    SciTech Connect

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

    1993-12-01

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

  7. 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.

  8. 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.

  9. 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.

  10. Nitrogen chemistry during burnout in fuel-staged combustion

    SciTech Connect

    Kristensen, P.G.; Glarborg, P.; Dam-Johansen, K. [Technical Univ. of Denmark, Lyngby (Denmark). Dept. of Chemical Engineering] [Technical Univ. of Denmark, Lyngby (Denmark). Dept. of Chemical Engineering

    1996-11-01

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

  11. 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.

  12. 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.

  13. A mixing controlled direct chemistry (MCDC) model for diesel engine combustion modelling using large eddy simulation

    Microsoft Academic Search

    Yuxin Zhang; Christopher J. Rutland

    2012-01-01

    A mixing controlled direct chemistry (MCDC) combustion model with sub-grid scale (SGS) mixing effects and chemical kinetics has been evaluated for Large Eddy Simulation (LES) of diesel engine combustion. The mixing effect is modelled by a mixing timescale based on mixture fraction variance and sub-grid scalar dissipation rate. The SGS scalar dissipation rate is modelled using a similarity term and

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

    SciTech Connect

    Barton, R.G.; Riale, M.; McCampbell, D. [Midwest Research Inst., Kansas City, MO (United States); VanDyne, M. [IntelliDyne, Kansas City, MO (United States)

    1997-12-31

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

  15. Z .Marine Chemistry 64 1999 8597 Chlorinated hydrocarbon pesticides and polychlorinated biphenyls

    E-print Network

    van Geen, Alexander

    Z .Marine Chemistry 64 1999 85­97 Chlorinated hydrocarbon pesticides and polychlorinated biphenyls pesticides and polychlorinated biphenyls to reconstruct a historic record of inputs. Total Z X X X X .DDTs in Z .concentration from 4­21 ngrg and constitute a major fraction )84% of the total pesticides

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

    E-print Network

    Toohey, Darin W.

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

  17. A Systematic Investigation of In Situ Adaptive Tabulation for Combustion Chemistry

    E-print Network

    in ISAT4. The study highlights that comparison of the computational performance of differentA Systematic Investigation of In Situ Adaptive Tabulation for Combustion Chemistry Liuyan Lu implementations of the in situ adaptive tabula- tion algorithm for chemistry calculations is performed through PDF

  18. 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

  19. 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

  20. 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

  1. Bioavailability and potential carcinogenicity of polycyclic aromatic hydrocarbons from wood combustion particulate matter in vitro.

    PubMed

    Gauggel-Lewandowski, Susanne; Heussner, Alexandra H; Steinberg, Pablo; Pieterse, Bart; van der Burg, Bart; Dietrich, Daniel R

    2013-11-25

    Due to increasing energy demand and limited fossil fuels, renewable energy sources have gained in importance. Particulate matter (PM) in general, but also PM from the combustion of wood is known to exert adverse health effects in human. These are often related to specific toxic compounds adsorbed to the PM surface, such as polycyclic aromatic hydrocarbons (PAH), of which some are known human carcinogens. This study focused on the bioavailability of PAHs and on the tumor initiation potential of wood combustion PM, using the PAH CALUX® reporter gene assay and the BALB/c 3T3 cell transformation assay, respectively. For this, both cell assays were exposed to PM and their respective organic extracts from varying degrees of combustion. The PAH CALUX® experiments demonstrated a concentration-response relationship matching the PAHs detected in the samples. Contrary to expectations, PM samples from complete (CC) and incomplete combustion (IC) provided for a stronger and weaker response, respectively, suggesting that PAH were more readily bioavailable in PM from CC. These findings were corroborated via PAH spiking experiments indicating that IC PM contains organic components that strongly adsorb PAH thereby reducing their bioavailability. The results obtained with organic extracts in the cell transformation assay presented the highest potential for carcinogenicity in samples with high PAH contents, albeit PM from CC also demonstrated a carcinogenic potential. In conclusion, the in vitro assays employed emphasize that CC produces PM with low PAH content however with a general higher bioavailability and thus with a nearly similar carcinogenic potential than IC PM. PMID:23796820

  2. Combustion aerosol water content and its effect on polycyclic aromatic hydrocarbon reactivity

    NASA Astrophysics Data System (ADS)

    Mcdow, Stephen R.; Vartiainen, Matti; Sun, Qingrui; Hong, Yusen; Yao, Yilin; Kamens, Richard M.

    A linear relationship was observed between particle water uptake and relative humidity for aerosol samples collected on Teflon coated glass fiber filters. Gasoline soot and wood smoke sample weight increases were three to five times greater than diesel soot weight increases at comparable relative humidities. Lower limit estimates of wood smoke water content at 90% relative humidity were in the 5-10% range. Based on these results polycyclic aromatic hydrocarbon photodegradation was investigated in liquid mixtures of actual wood smoke components with water content varied from 0 to 15%. Reaction rates of benz[a]anthracene and benzo[k]fluroanthene were significantly greater in methoxyphenol mixtures with 10% water content than in mixtures which did not contain water. Benzo[a]pyrene photodegradation was not significantly different. The results indicate that combustion particle water content increases with increasing relative humidity and that PAH photodegradation rates are likely to increase with increasing particle water content. This provides an explanation for previously described smog chamber studies in which a correlation between polycyclic aromatic hydrocarbon (PAH) decay in sunlight and water vapor concentration was reported.

  3. Piston and process for achieving controlled ignition and combustion of hydrocarbon fuels in internal combustion engines by generation and management

    SciTech Connect

    Failla, C.C.; Pouring, A.A.; Rankin, B.; di Priolo, C.L.; Mc Cowan, W.; Gosewisch, D.

    1990-02-06

    This patent describes an improvement in a piston for a reciprocating piston internal combustion engine in which a combustion cycle is carried out in a variable volume combustion chamber defined by the piston reciprocating in a close ended cylinder into which a fuel and air charge is periodically supplied. The cycle includes intake, compression, combustion, expansion and exhaust portions. The piston crown is recessed and contains the majority of the charge when the combustion chamber is at minimum volume.

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

    PubMed

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

    2012-06-01

    We report on the particulate-bound polycyclic aromatic hydrocarbons (PAH) in the exhaust of a test-bed gas turbine engine when powered by Jet A-1 aviation fuel and a number of alternative fuels: Sasol fully synthetic jet fuel (FSJF), Shell gas-to-liquid (GTL) kerosene, and Jet A-1/GTL 50:50 blended kerosene. The concentration of PAH compounds in the exhaust emissions vary greatly between fuels. Combustion of FSJF produces the greatest total concentration of PAH compounds while combustion of GTL produces the least. However, when PAHs in the exhaust sample are measured in terms of the regulatory marker compound benzo[a]pyrene, then all of the alternative fuels emit a lower concentration of PAH in comparison to Jet A-1. Emissions from the combustion of Jet A-1/GTL blended kerosene were found to have a disproportionately low concentration of PAHs and appear to inherit a greater proportion of the GTL emission characteristics than would be expected from volume fraction alone. The data imply the presence of a nonlinear relation between fuel blend composition and the emission of PAH compounds. For each of the fuels, the speciation of PAH compounds present in the exhaust emissions were found to be remarkably similar (R(2) = 0.94-0.62), and the results do provide evidence to support the premise that PAH speciation is to some extent indicative of the emission source. In contrast, no correlation was found between the PAH species present in the fuel with those subsequently emitted in the exhaust. The results strongly suggests that local air quality measured in terms of the particulate-bound PAH burden could be significantly improved by the use of GTL kerosene either blended with or in place of Jet A-1 kerosene. PMID:22534092

  5. Impact of biogenic hydrocarbons on tropospheric chemistry: results from a global chemistry-climate model

    NASA Astrophysics Data System (ADS)

    Folberth, G. A.; Hauglustaine, D. A.; Lathière, J.; Brocheton, F.

    2005-10-01

    We present a description and evaluation of LMDz-INCA, a global three-dimensional chemistry-climate model, pertaining to its recently developed NMHC version. In this substantially extended version of the model a comprehensive representation of the photochemistry of non-methane hydrocarbons (NMHC) and volatile organic compounds (VOC) from biogenic, anthropogenic, and biomass-burning sources has been included. The tropospheric annual mean methane (9.2 years) and methylchloroform (5.5 years) chemical lifetimes are well within the range of previous modelling studies and are in excellent agreement with estimates established by means of global observations. The model provides a reasonable simulation of the horizontal and vertical distribution and seasonal cycle of CO and key non-methane VOC, such as acetone, methanol, and formaldehyde as compared to observational data from several ground stations and aircraft campaigns. LMDz-INCA in the NMHC version reproduces tropospheric ozone concentrations fairly well throughout most of the troposphere. The model is applied in several sensitivity studies of the biosphere-atmosphere photochemical feedback. The impact of surface emissions of isoprene, acetone, and methanol is studied. These experiments show a substantial impact of isoprene on tropospheric ozone and carbon monoxide concentrations revealing an increase in surface O3 and CO levels of up to 30 ppbv and 60 ppbv, respectively. Isoprene also appears to significantly impact the global OH distribution resulting in a decrease of the global mean tropospheric OH concentration by approximately 0.9×105 molecules cm-3 or roughly 10% and an increase in the global mean tropospheric methane lifetime by approximately four months. A global mean ozone net radiative forcing due to the isoprene induced increase in the tropospheric ozone burden of 0.09W m-2 is found. The key role of isoprene photooxidation in the global tropospheric redistribution of NOx is demonstrated. LMDz-INCA calculates an increase of PAN surface mixing ratios ranging from 75 to 750 pptv and 10 to 250 pptv during northern hemispheric summer and winter, respectively. Acetone and methanol are found to play a significant role in the upper troposphere/lower stratosphere (UT/LS) budget of peroxy radicals. Calculations with LMDz-INCA show an increase in HOx concentrations region of 8 to 15% and 10 to 15% due to methanol and acetone biogenic surface emissions, respectively. The model has been used to estimate the global tropospheric CO budget. A global CO source of 3019 TgCO yr-1 is estimated. This source divides into a primary source of 1533 TgCO yr-1 and secondary source of 1489 TgCO yr-1 deriving from VOC photooxidation. Global VOC-to-CO conversion efficiencies of 90% for methane and between 20 and 45% for individual VOC are calculated by LMDz-INCA.

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

    NASA Astrophysics Data System (ADS)

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

    2013-04-01

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

  7. 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...

  8. A greedy algorithm for species selection in dimension reduction of combustion chemistry

    Microsoft Academic Search

    Varun Hiremath; Zhuyin Ren; Stephen B. Pope

    2010-01-01

    Computational calculations of combustion problems involving large numbers of species and reactions with a detailed description of the chemistry can be very expensive. Numerous dimension reduction techniques have been developed in the past to reduce the computational cost. In this paper, we consider the rate controlled constrained-equilibrium (RCCE) dimension reduction method, in which a set of constrained species is specified.

  9. Hydrocarbon-fuel/combustion-chamber-liner materials compatibility. Interim final report, 7 November 1986-31 October 1989

    SciTech Connect

    Gage, M.L.

    1990-04-01

    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.

  10. 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.

  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. 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.

  13. 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.

  14. Carbon deposition model for oxygen-hydrocarbon combustion, volume 1. Interim final report

    SciTech Connect

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

    1987-09-01

    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.

  15. Carbon deposition model for oxygen-hydrocarbon combustion, volume 2. Interim final report

    SciTech Connect

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

    1987-09-01

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

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

    EPA Science Inventory

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

  17. PDF simulations of turbulent combustion incorporating detailed chemistry

    SciTech Connect

    Saxena, V.; Pope, S.B. [Cornell Univ., Ithaca, NY (United States). Sibley School of Mechanical and Aerospace Engineering] [Cornell Univ., Ithaca, NY (United States). Sibley School of Mechanical and Aerospace Engineering

    1999-04-01

    Recently, the technique of in situ adaptive tabulation (ISAT) was proposed to accomplish efficiently the hitherto formidable task of including detailed chemistry in particle methods for turbulent-reactive flows. This paper addresses the performance issues (accuracy, efficiency, and storage requirements) involved in the implementation of ISAT in a particle-mesh code to solve for the joint probability density function (JPDF) of velocity-frequency-composition. Detailed error-control analysis for a skeletal methane mechanism is performed using a pairwise mixing stirred reactor (PMSR) test. The results of the PMSR tests are used to specify the error tolerance for the JPDF simulation of a piloted non-premixed jet flame. The authors demonstrate that JPDF simulations of realistic turbulent-reactive flows with detailed chemistry are now possible within reasonable CPU time and storage requirements.

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

    Microsoft Academic Search

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

    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

  19. Effect of Two-Stage Injection on Unburned Hydrocarbon and Carbon Monoxide Emissions in Smokeless Low-Temperature Diesel Combustion with UltraHigh Exhaust Gas Recirculation

    Microsoft Academic Search

    T Li; M Suzuki; H Ogawa

    2010-01-01

    The unburned hydrocarbon (UHC) and carbon monoxide (CO) emissions from smokeless low-temperature diesel combustion (LTC) with ultra-high exhaust gas recirculation (EGR) can be attributed to lowered combustion temperatures as well as to under-mixing of fuel-rich mixture along the combustion chamber walls, overly mixed fuel-lean mixture at the spray tails, and fuel missing the piston bowl and entering the squish zones.

  20. 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.

  1. Investigation and Optimization of Biodiesel Chemistry for HCCI Combustion

    SciTech Connect

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

    2014-06-23

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

  2. Investigation and Optimization of Biodiesel Chemistry for HCCI Combustion

    SciTech Connect

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

    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.

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

    Microsoft Academic Search

    Z. A. Mansurov

    2011-01-01

      The eightieth anniversary of Academician, Lenin Prize Winner Rem Ivanovich Soloukhin is an important event for the scientific\\u000a association of investigators of combustion and detonation processes. R. I. Soloukhin has developed original gasdynamic laser\\u000a systems based on the selective thermal excitation and mixing in a supersonic flow: efficient high-power gas-flow lasers of\\u000a convective type with electric excitation and chemical lasers

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

    NASA Astrophysics Data System (ADS)

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

    2010-12-01

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

  5. Interstellar chemistry: a strategy for detecting polycyclic aromatic hydrocarbons in space.

    PubMed

    Lovas, F J; McMahon, Robert J; Grabow, Jens-Uwe; Schnell, Melanie; Mack, James; Scott, Lawrence T; Kuczkowski, Robert L

    2005-03-30

    Polycyclic aromatic hydrocarbons (PAHs) have long been postulated as constituents of the interstellar gas and circumstellar disks. Observational infrared emission spectra have been plausibly interpreted in support of this hypothesis, but the small (or zero) dipole moments of planar, unsubstituted PAHs preclude their definitive radio astronomical identification. Polar PAHs, such as corannulene, thus represent important targets for radio astronomy because they offer the possibilities of confirming the existence of PAHs in space and revealing new insight into the chemistry of the interstellar medium. Toward this objective, the high-resolution rotational spectrum of corannulene has been obtained by Fourier transform microwave spectroscopy, and the dipole moment (2.07 D) of this exceptionally polar PAH has been measured by exploiting the Stark effect. PMID:15783216

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

    NASA Astrophysics Data System (ADS)

    Burns, K. A.; Codi, S.

    1999-12-01

    In September 1994 and 1995, scientists from the Australian Institute of Marine Science (AIMS) and the Australian Geological Survey Organization (AGSO) conducted surveys aboard the RV Lady Basten to determine the dispersion, fates and effects of produced formation water (PFW) discharged from the ' Harriet A ' oil production platform near the Montebello Islands. This report is one of four related papers and describes the non-volatile hydrocarbon chemistry studies. The dispersion of the PFW into dissolved and particulate fractions of seawater were measured using moored high volume water samplers, surface screen samplers and moored and drifting sediment traps. Bio-accumulation was studied using transplanted oysters, and dispersion measured into sediment with benthic grabs. Results showed enrichment in non-volatile hydrocarbons in surface microlayer samples to a distance of 1·8 km in the direction of tidal flow. Concentrations in surface microlayers near the platform varied by an order of magnitude and corresponded to when a surface slick was visible or not visible. Concentrations of oil in seawater ranged from 2·0 to 8·5 ?g l -1at near stations to 1·3 ?g l -1at 1·8 km. Water column samples showed the processes of desorption from particles for soluble components occur within the range of 1·8 km. Most particulate hydrocarbons drop out of suspension within c. 1 to 2 km from the platform. Fluxes of particulate hydrocarbons through the water column at c. 1 km, as estimated by moored sediment traps in 1995, were 138 to 148 ng cm -2day -1. A decrease in sediment concentrations within c. 1 km of the platform was measured as 2·45±1·29 ?g g -1dry wt (n=15) in 1994 to 0·86±0·54 ?g g -1dry wt (n=21) in 1995, after the platform installed a centrifugal separator in the discharge treatment process. Thus the residence time of this relatively low molecular weight oil was estimated in the coarse aerobic sands surrounding the platform to be less than one year. Oysters suspended near the platform bio-accumulated hydrocarbons and other lipophilic organics in their tissues. Uptake rates and bio-concentration factors of hydrocarbons indicated potential toxicity at the near-field stations within c. 1 km radius. A mass balance was constructed to show the partitioning of the input of hydrocarbons from the PFW into the surrounding marine ecosystem. The rates of dissipation processes were estimated as follows: dilution from tidal currents>degradation in the water column>sedimentation>evaporation. The calculations based on maximum concentrations measured in the environmental samples accounted for 85% of the daily input suspended within a 1 km radius. It is estimated that the potential zone of toxic influence in the water column extends to a distance of approximately 1 km. Concentrations of oil in sediments were too low to indicate potential toxicity. By the collaborative application of oceanographic and geochemical techniques to marine environmental problems, we endeavour to provide effective feedback to the oil industry to gauge the effectiveness of their operational strategies in minimizing impact in these pristine regions.

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

    SciTech Connect

    Kumaran, K.; Babu, V. [Department of Mechanical Engineering, Indian Institute of Technology, Madras, India 600 (India)

    2009-04-15

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

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

    PubMed

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

    2011-03-15

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

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

    NASA Astrophysics Data System (ADS)

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

    2015-06-01

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

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

    EPA Science Inventory

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

  11. Modelling finite-rate chemistry effects in nonpremixed turbulent combustion: Test on the bluff-body stabilized flame

    Microsoft Academic Search

    M. Gonzalez; R. Elamraoui; M. Obounou

    1997-01-01

    The validity of the turbulent combustion M.I.L. model has been investigated in the case of an unconfined bluff-body burner. This model allows for a distribution of turbulent timescales and makes use of a chemical delay time library; it is specially directed toward nonpremixed combustion with finite-rate chemistry effects. Because of the extreme complexity of the bluff-body flow, the study focuses

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

    SciTech Connect

    Ward, D.E.; Hao, W.M.; Babbitt, R.E. [Intermountain Research Station, Missoula, MT (United States)

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

    NASA Astrophysics Data System (ADS)

    Hassouni, Khaled

    2013-09-01

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

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

    PubMed

    Mozia, Sylwia; Ku?agowska, 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. PMID:25432013

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

    PubMed

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

    2012-01-01

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

  16. 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. PMID:16913110

  17. Study of flame characteristics during liquid hydrocarbons combustion with steam gasification

    NASA Astrophysics Data System (ADS)

    Anufriev, I. S.; Kopyev, E. P.; Loboda, E. L.

    2014-11-01

    The aim of this work is to study the characteristics of high-temperature flame in the burning device during combustion of diesel fuel with steam gasification for understanding the basic mechanisms of the reaction and the role of physical factors.

  18. 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.

  19. 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 (?13C) 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 ?13C are observed for the panel of PAHs. This work allows differentiating wood combustion (with ?13CPAH = -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.

  20. 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 (?13C) 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 ?13C 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 ?13CPAH = -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.

  1. 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. [University of Kentucky, Lexington, KY (United States). Center for Applied Energy Research

    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.

  2. 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.

  3. 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.

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

    NASA Technical Reports Server (NTRS)

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

    2000-01-01

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

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

    DOE Data Explorer

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

  6. 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 preference for cyclization to CP-PAH over formation of ethynyl-PAH can be explained by the significantly lower energy barrier. Comparison of computed PAH equilibrium distributions to those found experimentally reveals close agreement only for the C16H10 isomers---corroborating previous evidence of a facile route for interconversion of internally and externally fused five-membered rings in this isomer group.

  7. 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 (?=1.0 and 1.7) using an analytical combination of high-resolution electron-ionization molecular-beam mass spectrometry (EI-MBMS) in Bielefeld and gas chromatography (GC) in Nancy. The time-of-flight MBMS with its high mass resolution enables the detection of both stable and reactive species, while the gas chromatograph permits the separation of isomers. Mole fractions of reactants, products, and stable and radical intermediates were measured as a function of the distance to the burner. A single kinetic model was used to predict the flame structure of the three fuels: furan (in this paper), 2-methylfuran (in Part II), and 2,5-dimethylfuran (in Part III). A refined sub-mechanism for furan combustion, based on the work of Tian et al. [Combustion and Flame 158 (2011) 756-773] was developed which was then compared to the present experimental results. Overall, the agreement is encouraging. The main reaction pathways involved in furan combustion were delineated computing the rates of formation and consumption of all species. It is seen that the predominant furan consumption pathway is initiated by H-addition on the carbon atom neighboring the O-atom with acetylene as one of the dominant products. PMID:24518999

  8. PDF modeling of lean premixed combustion using in situ tabulated chemistry

    SciTech Connect

    Cannon, S.M.; Brewster, B.S.; Smoot, L.D.

    1999-11-01

    The velocity-composition probability density function (pdf) model coupled with a k-{var{underscore}epsilon}-based mean flow computational fluid dynamics (CFD) model was used to describe the turbulent fluid flow, heat transfer, chemistry, and their interactions in a bluff-body, lean, premixed, methane-air combustor. Measured data including velocity, temperature, and chemical species concentrations were used to evaluate the model. The chemistry calculations were performed with an in situ look-up tabulation method. A reduced, 5-step chemical mechanism for describing fuel oxidation, CO, and NO chemistry was used in the model. NO formation from thermal, N{sub 2}O-intermediate, and prompt pathways was included in the 5-step mechanism. An axisymmetric, unstructured grid was used for solving the Eulerian, mean flow equations and the vertices were used to store mean statistics for solving the Lagrangian, fluid particle equations. Predicted velocity and composition mean statistics were compared to measurements in the bluff-body combustor for a lean equivalence ratio of 0.59. The predictions of major species matched measured and calculated equilibrium values in the recirculation zone. Comparisons of mean CO throughout the combustor were always within an order of magnitude and showed marked improvements over past predictions. Maximum discrepancies between measured and predicted NO concentration were between 5 and 7 ppm ({approximately}50%). The accessed composition space in this turbulent combustion simulation represented the values of species mole fraction and enthalpy for each fluid particle at each time step and was found to lie in a relatively small, uniquely shaped region that was dictated by the mixing, reaction, and heat transfer in the combustor. This accessed composition region was obtained in situ and required about 35 megabytes of storage once a steady state was reached.

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

    PubMed

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

    2015-08-13

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

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

    PubMed Central

    2013-01-01

    Background The process of thermal decomposition of dichloromethane (DCM) and chlorobenzene (MCB) during the combustion in an inert, bubbling fluidized bed, supported by LPG as auxiliary fuel, have been studied. The concentration profiles of C6H5CI, CH2Cl2, CO2, CO, NOx, COCl2, CHCl3, CH3Cl, C2H2, C6H6, CH4 in the flue gases were specified versus mean bed temperature. Results The role of preheating of gaseous mixture in fluidized bed prior to its ignition inside bubbles was identified as important factor for increase the degree of conversion of DCM and MCB in low bed temperature, in comparison to similar process in the tubular reactor. Conclusions Taking into account possible combustion mechanisms, it was identified that autoignition in bubbles rather than flame propagation between bubbles is needed to achieve complete destruction of DCM and MCB. These condition occurs above 900°C causing the degree of conversion of chlorine compounds of 92-100%. PMID:23289764

  11. Carbon deposition model for oxygen-hydrocarbon combustion. Task 6: Data analysis and formulation of an empirical model. Final report, April 1989-May 1990

    SciTech Connect

    Makel, D.B.; Rosenberg, S.D.

    1990-05-01

    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.

  12. 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.

  13. 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.

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

    EPA Science Inventory

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

  15. 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.

  16. 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.

  17. Combustion

    NASA Astrophysics Data System (ADS)

    Murdin, P.

    2000-11-01

    The process whereby a substance is combined with oxygen with the production of heat. Burning is a familiar example of this process. The energy required to propel chemical rockets is provided by the combustion of fuel with an oxidant at very high temperatures. A common oxidant is liquid oxygen (often denoted by LOX). Others include hydrogen peroxide and nitrogen tetroxide....

  18. Immunization with soot from a non-combustion process provokes formation of antibodies against polycyclic aromatic hydrocarbons.

    PubMed

    Matschulat, Diana; Prestel, Harald; Haider, Ferdinand; Niessner, Reinhard; Knopp, Dietmar

    2006-03-20

    The emission of soot during combustion processes used in transportation, manufacturing, and power generation is of increasing concern because of its serious adverse health effects. In particular, the ability to modulate the immune system has recently been established. In the present investigation, an artificial soot sample that was prepared by fragmentation of acetylene in a laser-induced plasma was used as an antigen for the immunization of a rabbit. A highly sensitive competition curve in an indirect competitive ELISA using a benzo[a]pyrene-BSA conjugate as a coating antigen could be constructed for benzo[a]pyrene with an IC50 of 2.94 mug/l (11.65 nmol/l). In contrast to the high affinity, the soot antiserum dilution (antibody titer) of 1:750 was rather low. The cross-reactivity was tested with 16 parent polycyclic aromatic hydrocarbons, 7 nitrated polycyclic aromatics, and 3 methylated, hydroxylated or butyric acid derivatives. The results obtained suggest that the vertebrate immune system can respond to an immunization with soot by the generation of high affinity IgG class antibodies against polycyclic aromatics. It is likely that antibodies are raised against the molecular structures which form the framework of the soot particles and not against adsorbed and extractable polyaromatic compounds. The experiments suggest that if soot is considered a T-independent antigen, the isotype switch, essentially from IgM to IgG, could have been caused by co-inoculation with a T-dependent antigen, i.e., mycobacteria contained in Freunds complete adjuvant. However, at the cellular level the mechanism remains to be uncovered. PMID:16499922

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

    E-print Network

    Goddard III, William A.

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

  20. 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. PMID:11542129

  1. Cyclooctatetraene computational photo- and thermal chemistry: a reactivity model for conjugated hydrocarbons.

    PubMed

    Garavelli, Marco; Bernardi, Fernando; Cembran, Alessandro; Castaño, Obis; Frutos, Luis Manuel; Merchán, Manuela; Olivucci, Massimo

    2002-11-20

    We use ab initio CASSCF and CASPT2 computations to construct the composite multistate relaxation path relevant to cycloocta-1,3,5,7-tetraene singlet photochemistry. The results show that an efficient population of the dark excited state (S(1)) takes place after ultrafast decay from the spectroscopic excited state (S(2)). A planar D(8)(h)-symmetric minimum represents the collecting point on S(1). Nonadiabatic transitions to S(0) appear to be controlled by two different tetraradical-type conical intersections, which are directly accessible from the S(1) minimum following specific excited-state reaction paths. The higher-energy conical intersection belongs to the same type of intersections previously documented in linear and cyclic conjugated hydrocarbons and features a triangular -(CH)(3)- kink. This point mediates both cis --> trans photoisomerization and cyclopropanation reactions. The lowest energy conical intersection has a boat-shaped structure. This intersection accounts for production of semibullvalene or for double-bond shifting. The mapping of both photochemical and thermal reaction paths (including also Cope rearrangements, valence isomerizations, ring inversions, and double-bond shifting) has allowed us to draw a comprehensive reactivity scheme for cyclooctatetraene, which rationalizes the experimental observations and documents the complex network of photochemical and thermal reaction path interconnections. The factors controlling the selection and accessibility of a number of conjugated hydrocarbon prototype conical intersections and ground-state relaxation channels are discussed. PMID:12431107

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

    SciTech Connect

    Sanville, Edward J [Los Alamos National Laboratory; Bock, Nicolas [Los Alamos National Laboratory; Challacombe, William M [Los Alamos National Laboratory; Cawkwell, Marc J [Los Alamos National Laboratory; Niklasson, Anders M N [Los Alamos National Laboratory; Dattelbaum, Dana M [Los Alamos National Laboratory; Sheffield, Stephen [Los Alamos National Laboratory; Sewell, Thomas D [UNIV OF MISSOURI

    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.

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

    PubMed

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

    2014-04-01

    A realistic understanding of contaminant sources is required to set appropriate control policy. Forensic chemical methods can be powerful tools in source characterization and identification, but they require a multiple-lines-of-evidence approach. Atmospheric receptor models, such as the US Environmental Protection Agency (USEPA)'s chemical mass balance (CMB), are increasingly being used to evaluate sources of pyrogenic polycyclic aromatic hydrocarbons (PAHs) in sediments. This paper describes the assumptions underlying receptor models and discusses challenges in complying with these assumptions in practice. Given the variability within, and the similarity among, pyrogenic PAH source types, model outputs are sensitive to specific inputs, and parsing among some source types may not be possible. Although still useful for identifying potential sources, the technical specialist applying these methods must describe both the results and their inherent uncertainties in a way that is understandable to nontechnical policy makers. The authors present an example case study concerning an investigation of a class of parking-lot sealers as a significant source of PAHs in urban sediment. Principal component analysis is used to evaluate published CMB model inputs and outputs. Targeted analyses of 2 areas where bans have been implemented are included. The results do not support the claim that parking-lot sealers are a significant source of PAHs in urban sediments. PMID:24265245

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

    NASA Astrophysics Data System (ADS)

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

    2012-12-01

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

  5. 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

  6. Treating Chemistry in Combustion with Detailed Mechanisms--In Situ Adaptive Tabulation in Principal

    E-print Network

    for methane/air combustion with a skeletal mechanism consisting of 16 species and 40 reactions, ~,d obtained for the methane/air combustionsystemwith the skeletal mechanism.The speedupwillincreaseas and experience to develop the reduced scheme for each fuel/oxidizer system, or even for the same fuel

  7. Subgrid Scale Modeling in Large-Eddy Simulation of Turbulent Combustion Using Premixed Flamelet Chemistry

    Microsoft Academic Search

    A. W. Vreman; J. A. van Oijen; L. P. H. de Goey; R. J. M. Bastiaans

    2009-01-01

    Large-eddy simulation (LES) of turbulent combustion with premixed flamelets is investigated in this paper. The approach solves\\u000a the filtered Navier–Stokes equations supplemented with two transport equations, one for the mixture fraction and another for\\u000a a progress variable. The LES premixed flamelet approach is tested for two flows: a premixed preheated Bunsen flame and a partially\\u000a premixed diffusion flame (Sandia Flame

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

    PubMed

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

    2015-06-01

    The environmental pollution and health impacts caused by the primitive and crude recycling of e-waste have become urgent global issues. Guiyu, China is a major hotspot of e-waste recycling. In this study, the levels and distribution of polycyclic aromatic hydrocarbons in soil in Guiyu were determined to investigate the effect of e-waste activities on the environment and to identify possible sources of these pollutants. Sediment samples from a local duck pond, water gullies, a river tributary, and combusted residue from e-waste burning sites were also investigated. The general trend found in soil (?16 PAHs) was acid leaching site?>?duck pond?>?rice field?>?printer roller dump site?>?reservoir (control site) and ranged from 95.2?±?54.2 to 5,210?±?89.6 ng/g (dry wt). The highest average total PAH concentrations were found in combusted residues of wires, cables, and other computer electrical components located at two e-waste open burning sites (18,600 and 10,800?±?3,940 ng/g). These were 195- and 113-fold higher than the PAH concentrations of soil at the control site. Sediment PAH concentrations ranged from 37.2?±?6 to 534?±?271 ng/g. Results of this study provide further evidence of significant input of PAHs to the environment attributed to crude e-waste recycling. PMID:23338991

  9. Mapping the Combustion Stability Regimes of Hydrogen and Hydrocarbon Jets in Supersonic Crossflow with OH-PLIF

    Microsoft Academic Search

    William N. Heltsley; Jordan A. Snyder; M. G. Mungal; Ronald K. Hanson

    2008-01-01

    Using the recently constructed 6 inch expansion tube at Stanford University, a series of studies has been undertaken to map out the combustion regimes of hydrogen, ethylene, and methane for a single sonic jet in supersonic crossflow under a number of different flow conditions. Freestream conditions were held at constant static temperature ( T) and static pressure ( P) while

  10. Computationally-efficient and scalable parallel implementation of chemistry in simulations of turbulent combustion

    E-print Network

    are computationally expensive. Modern chemical mechanisms of real fuels involve hundreds or thousands of species of reactive flows with detailed chemistry involving large numbers of species and reactions are com-species augmented reduced mechanism; and (b) a 38-species C1­C4 skeletal mechanism. We present three

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

    E-print Network

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

    2015-01-01

    Small hydrocarbons, such as C2H, C3H and C3H2 are more abundant in photo-dissociation regions (PDRs) than expected based on gas-phase chemical models. To explore the hydrocarbon chemistry further, we observed a key intermediate species, the hydrocarbon ion l-C3H+, in the Horsehead PDR with the Plateau de Bure Interferometer at high-angular resolution (6''). We compare with previous observations of C2H and c-C3H2 at similar angular resolution and new gas-phase chemical model predictions to constrain the dominant formation mechanisms of small hydrocarbons in low-UV flux PDRs. We find that, at the peak of the HCO emission (PDR position), the measured l-C3H+, C2H and c-C3H2 abundances are consistent with current gas-phase model predictions. However, in the first PDR layers, at the 7.7 mum PAH band emission peak, which are more exposed to the radiation field and where the density is lower, the C2H and c-C3H2 abundances are underestimated by an order of magnitude. At this position, the l-C3H+ abundance is also unde...

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

    Microsoft Academic Search

    Larry L

    2008-01-01

    This project involved the following objectives:;\\u000a1.\\u0009Determine black liquor drying and devolatilization elemental and total mass release rates and yields. ;\\u000a2.\\u0009Develop a public domain physical\\/chemical kinetic model of black liquor drop combustion, including new information on drying and devolatilization. ;\\u000a3.\\u0009Determine mechanisms and rates of sulfur scavenging in recover boilers.;\\u000a4.\\u0009Develop non-ideal, public-domain thermochemistry models

  13. Chemical Kinetic Data Base for Combustion Chemistry. Part I. Methane and Related Compounds

    Microsoft Academic Search

    W. Tsang; R. F. Hampson

    1986-01-01

    This document contains evaluated data on the kinetics and thermodynamic properties of species that are of importance in methane pyrolysis and combustion. Specifically, the substances considered include H, H2, O, O2, OH, HO2, H2O2, H2O, CH4, C2H6, HCHO, CO2, CO, HCO, CH3, C2H5, C2H4, C2H3, C2H2, C2H, CH3CO, CH3O2, CH3O, singlet CH2, and triplet CH2. All possible reactions are considered.

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

    Microsoft Academic Search

    Vitaly Y Prikhodko; Josh A Pihl; Samuel Arthur Lewis Sr; II Parks; 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 NOâ reduction performance of the exposed catalysts was evaluated on a laboratory bench-reactor fed with simulated exhaust. The

  15. 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.

  16. ChemTeacher: Combustion

    NSDL National Science Digital Library

    2011-01-01

    ChemTeacher compiles background information, videos, articles, demonstrations, worksheets and activities for high school teachers to use in their classrooms. The Combustion page includes resources for teaching students about the chemistry behind combustion.

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

    NASA Technical Reports Server (NTRS)

    Tyree, S. Y., Jr.

    1975-01-01

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

  18. Combustion Modeling in Internal Combustion Engines

    Microsoft Academic Search

    FRANK J. ZELEZNIK

    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

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

    PubMed

    Shen, Guofeng; Tao, Shu; Wei, Siye; Zhang, Yanyan; Wang, Rong; Wang, Bin; Li, Wei; Shen, Huizhong; Huang, Ye; Chen, Yuanchen; Chen, Han; Yang, Yifeng; Wang, Wei; Wei, Wen; Wang, Xilong; Liu, Wenxing; Wang, Xuejun; Masse Simonich, Staci L y

    2012-06-01

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

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

    NASA Astrophysics Data System (ADS)

    Folberth, G. A.; Hauglustaine, D. A.; Lathière, J.; Brocheton, F.

    2006-06-01

    We present a description and evaluation of LMDz-INCA, a global three-dimensional chemistry-climate model, pertaining to its recently developed NMHC version. In this substantially extended version of the model a comprehensive representation of the photochemistry of non-methane hydrocarbons (NMHC) and volatile organic compounds (VOC) from biogenic, anthropogenic, and biomass-burning sources has been included. The tropospheric annual mean methane (9.2 years) and methylchloroform (5.5 years) chemical lifetimes are well within the range of previous modelling studies and are in excellent agreement with estimates established by means of global observations. The model provides a reasonable simulation of the horizontal and vertical distribution and seasonal cycle of CO and key non-methane VOC, such as acetone, methanol, and formaldehyde as compared to observational data from several ground stations and aircraft campaigns. LMDz-INCA in the NMHC version reproduces tropospheric ozone concentrations fairly well throughout most of the troposphere. The model is applied in several sensitivity studies of the biosphere-atmosphere photochemical feedback. The impact of surface emissions of isoprene, acetone, and methanol is studied. These experiments show a substantial impact of isoprene on tropospheric ozone and carbon monoxide concentrations revealing an increase in surface O3 and CO levels of up to 30 ppbv and 60 ppbv, respectively. Isoprene also appears to significantly impact the global OH distribution resulting in a decrease of the global mean tropospheric OH concentration by approximately 0.7×105 molecules cm-3 or roughly 8% and an increase in the global mean tropospheric methane lifetime by approximately seven months. A global mean ozone net radiative forcing due to the isoprene induced increase in the tropospheric ozone burden of 0.09 W m-2 is found. The key role of isoprene photooxidation in the global tropospheric redistribution of NOx is demonstrated. LMDz-INCA calculates an increase of PAN surface mixing ratios ranging from 75 to 750 pptv and 10 to 250 pptv during northern hemispheric summer and winter, respectively. Acetone and methanol are found to play a significant role in the upper troposphere/lower stratosphere (UT/LS) budget of peroxy radicals. Calculations with LMDz-INCA show an increase in HOx concentrations region of 8 to 15% and 10 to 15% due to methanol and acetone biogenic surface emissions, respectively. The model has been used to estimate the global tropospheric CO budget. A global CO source of 3019 Tg CO yr-1 is estimated. This source divides into a primary source of 1533 Tg CO yr-1 and secondary source of 1489 Tg CO yr-1 deriving from VOC photooxidation. Global VOC-to-CO conversion efficiencies of 90% for methane and between 20 and 45% for individual VOC are calculated by LMDz-INCA.

  1. 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.

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

    SciTech Connect

    Thorslund, T.W.; Farrar, D.

    1990-09-01

    As an extension of the work started in a previous contract (EPA 68-02-4403, April 1988), various approaches for estimating the carcinogenic potency of polycyclic aromatic hydrocarbons (PAH) mixtures were investigated. The approach uses the two-stage model described in the previous contract work to convert the tumor incidence data in a variety of bioassays to a low-dose linear slope of the dose-response curve. The potency of mixtures and components of mixtures is expressed as a fraction of the potency of benzo(a)pyrene (B(a)P), which is treated as a reference standard. The basic assumption of the method is that the relative potency of the mixture is the weighted average of the relative potency of the components. The method is applied to data generated by a single group of investigators on lung cancer in female Osborne-Mendel rats induced by implantation of test material in the lung. Diesel engine exhaust, gasoline engine exhaust, flue gas condensate from coal-fired furnances and sidestream cigarette smoke were tested, along with their identified chemical components and solvent-extracted components. Of nine different procedures for evaluating the relative potency of combustion product mixtures from their components, the most accurate one assumes that the relative potency of the solvent-extracted fraction containing greater than three rings is equal to B(a)P.

  3. Chemistry Notes.

    ERIC Educational Resources Information Center

    School Science Review, 1982

    1982-01-01

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

  4. 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.

  5. Chemistry

    NSDL National Science Digital Library

    K-12 Outreach,

    Chemistry is the scientific study of matter and its interaction with other matter and with energy. It is the branch of natural science that deals with the composition of substances and their properties and reactions.

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

    SciTech Connect

    Lu, Yi-chun [Massachusetts Institute of Technology (MIT)] [Massachusetts Institute of Technology (MIT); Crumlin, Ethan [Massachusetts Institute of Technology (MIT)] [Massachusetts Institute of Technology (MIT); Carney, Thomas J [ORNL] [ORNL; Baggetto, Loic [ORNL] [ORNL; Veith, Gabriel M [ORNL] [ORNL; Dudney, Nancy J [ORNL] [ORNL; Liu, Zhi [Lawrence Berkeley National Laboratory (LBNL)] [Lawrence Berkeley National Laboratory (LBNL); Shao-Horn, Yang [Massachusetts Institute of Technology (MIT)] [Massachusetts Institute of Technology (MIT)

    2013-01-01

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

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

    SciTech Connect

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

    1998-12-10

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

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

    NASA Technical Reports Server (NTRS)

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

    1987-01-01

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

  9. 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. (UA CNRS, Paris (France)); Berkaloff, C.; Coute, A. (LA CNRS, Paris (France))

    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.

  10. Combustor nozzle for a fuel-flexible combustion system

    DOEpatents

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

    2011-03-22

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

  11. Sandia Combustion Research: Technical review

    SciTech Connect

    NONE

    1995-07-01

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

  12. 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…

  13. 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 ?=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

  14. The lipid chemistry of an interfacial sediment from the Peru Continental Shelf: Fatty acids, alcohols, aliphatic ketones and hydrocarbons

    NASA Astrophysics Data System (ADS)

    Smith, D. J.; Eglinton, G.; Morris, R. J.

    1983-12-01

    A sample of the sediment-water column interface which lies on the continental shelf under the Peru upwelling regime, has been examined for fatty acids, fatty alcohols, ketones and hydrocarbons. Fatty acids were the most abundant compound class, ranging from C 12-C 24, with 16:0 as the major component (765.5 ?g/g dry sediment). The alcohols were dominated by 3,7,11,15-tetramethylhexadeca-2-en-ol (phytol), with even-chain n-alcohols in the range C 14-C 20. The ketones consisted of C 37-C 39 di- and tri-unsaturated alken-2-ones and alken-3-ones. Both alkanes and alkenes were present in the hydrocarbon fraction; the alkanes ranging from C 13 — C 20 and comprising both straight chain and isoprenoid compounds; the alkenes consisting of isomeric pairs of C 25 branched trienes and tetraenes. The data indicate that the organic content has been contributed very largely from marine sources (probably mainly from phytoplankton and bacteria), showing little terrigenous influence. The presence of labile compounds such as polyunsaturated fatty acids (with two to six double bonds), implies that the sediment has undergone very little diagenetic alteration, and the lipids are probably largely unchanged from the state in which they actually reached the sediment. They may therefore serve as a useful baseline in assessing diagenesis in older sediments, where diagenetic transformations are more advanced.

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

    NASA Technical Reports Server (NTRS)

    Otugen, M. Volkan

    1997-01-01

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

  16. 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.

  17. 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.

  18. 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.

  19. 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.

  20. 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...

  1. 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.

  2. Igniting Chemistry in Fireworks

    NSDL National Science Digital Library

    WGBH Educational Foundation

    2004-01-29

    Students learn about the concepts of spectral chemistry, combustion, and the nature of fire through the use of visually rich fireworks resources. Optional resources address chemical reactions for those who want a more advanced chemistry lesson.

  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. QUANTITATIVE ANALYSIS OF POLYNUCLEAR AROMATIC HYDROCARBONS IN LIQUID FUELS

    EPA Science Inventory

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

  5. Thermal efficiency analysis in a hydrogen premixed combustion engine

    Microsoft Academic Search

    Toshio Shudo; Yasuo Nakajima; Takayuki Futakuchi

    2000-01-01

    Hydrogen has higher flame velocity and shorter quenching distance than hydrocarbon fuels, and is supposed to have special characteristics in the combustion process of internal combustion engines. In this research, contributors to thermal efficiency in a hydrogen premixed spark ignition engine were analyzed and compared with methane combustion. Results showed hydrogen combustion had higher cooling loss to combustion chamber wall,

  6. Combustion chemistry: important features of the C3H5 potential energy surface, including allyl radical, propargyl + H2, allene + H, and eight transition states.

    PubMed

    Narendrapurapu, Beulah S; Simmonett, Andrew C; Schaefer, Henry F; Miller, James A; Klippenstein, Stephen J

    2011-12-15

    The C(3)H(5) potential energy surface (PES) encompasses molecules of great significance to hydrocarbon combustion, including the resonantly stabilized free radicals propargyl (plus H(2)) and allyl. In this work, we investigate the interconversions that take place on this PES using high level coupled cluster methodology. Accurate geometries are obtained using coupled cluster theory with single, double, and perturbative triple excitations [CCSD(T)] combined with Dunning's correlation consistent quadruple-? basis set cc-pVQZ. The energies for these stationary points are then refined by a systematic series of computations, within the focal point scheme, using the cc-pVXZ (X = D, T, Q, 5, 6) basis sets and correlation treatments as extensive as coupled cluster with full single, double, and triple excitation and perturbative quadruple excitations [CCSDT(Q)]. Our benchmarks provide a zero-point vibrational energy (ZPVE) corrected barrier of 10.0 kcal mol(-1) for conversion of allene + H to propargyl + H(2). We also find that the barrier for H addition to a terminal carbon atom in allene leading to propenyl is 1.8 kcal mol(-1) lower than that for the addition to a central atom to form the allyl radical. PMID:22032701

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

    EPA Science Inventory

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

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

    PubMed

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

    2005-01-01

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

  9. Gas-Phase Mercury Conversion in H2, O2, Chloro C1Hydrocarbon, and NOx Combustion Effluent from Use of an Elementary Kinetic Mechanism

    Microsoft Academic Search

    Itsaso Auzmendi Murua; Joseph W. Bozzelli

    2010-01-01

    Emissions of gaseous mercury from combustion sources and their control are a major environmental concern facing power generators. The removal of mercury by conversion to mercury halides is evaluated by use of an elementary reaction mechanism that is developed from fundamental principles of thermodynamics and statistical mechanics. Thermochemical properties have been calculated for needed reaction intermediates using CBS-QB3 and density

  10. Method for producing viscous hydrocarbons

    DOEpatents

    Poston, Robert S. (Winter Park, FL)

    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.

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

    SciTech Connect

    Gat, N.; Wolff, M.F.; Petach, M.B. (TRW Space and Technology Group, Redondo Beach, CA (USA))

    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.

  12. 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.

  13. Internal combustion engine

    SciTech Connect

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

    1981-12-22

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

  14. Supersonic combustion

    NASA Astrophysics Data System (ADS)

    Gamba, Mirko

    2013-11-01

    Combustion in the supersonic regime presents several challenges over what the low-speed counterpart admits. Here we will review some of these challenges, and we will describe some of the key features of one of the canonical flow fields in supersonic combustion: the reacting transverse jet in a supersonic crossflow (JISCF). From a practical standpoint, the key challenges that limit our control of this combustion regime are fast mixing, robust flame holding and stability. In turn, these aspects are controlled by the complex effects introduced by chemistry, compressibility, shocks and shock/flow interactions, turbulence and the underlying coupling among them. Some of their properties will be discussed here. In particular, for a JISCF in a Mach 2.4 high enthalpy crossflow, the reaction zone structure, its dependence on near-wall events, boundary layer, and shock/boundary layer interaction will be described. We will demonstrate the paramount importance of the coupling between boundary layers and compressibility to provide mechanisms for flame stabilization at the wall. Mixing characteristics, overall structure, and the link to global parameters (momentum flux, velocity and density ratios) that characterize the JISCF, and possibly free shear supersonic flows in general, will also be highlighted from non-reacting experiments. Combustion in the supersonic regime presents several challenges over what the low-speed counterpart admits. Here we will review some of these challenges, and we will describe some of the key features of one of the canonical flow fields in supersonic combustion: the reacting transverse jet in a supersonic crossflow (JISCF). From a practical standpoint, the key challenges that limit our control of this combustion regime are fast mixing, robust flame holding and stability. In turn, these aspects are controlled by the complex effects introduced by chemistry, compressibility, shocks and shock/flow interactions, turbulence and the underlying coupling among them. Some of their properties will be discussed here. In particular, for a JISCF in a Mach 2.4 high enthalpy crossflow, the reaction zone structure, its dependence on near-wall events, boundary layer, and shock/boundary layer interaction will be described. We will demonstrate the paramount importance of the coupling between boundary layers and compressibility to provide mechanisms for flame stabilization at the wall. Mixing characteristics, overall structure, and the link to global parameters (momentum flux, velocity and density ratios) that characterize the JISCF, and possibly free shear supersonic flows in general, will also be highlighted from non-reacting experiments. Sponsored by DoE PSAAP at Stanford University.

  15. 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.

  16. 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 (?=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

  17. The effect of strain rate on polycyclic aromatic hydrocarbon (PAH) formation in acetylene diffusion flames

    SciTech Connect

    Yamamoto, Manabu; Duan, Shici; Senkan, Selim [Department of Chemical Engineering, University of California, Los Angeles, CA 90095 (United States)

    2007-11-15

    Acetylene is a ubiquitous combustion intermediate that is also believed to be the major precursor for aromatic, polycyclic aromatic hydrocarbon (PAH), and soot formation in both hydrocarbon and halogenated hydrocarbon flames. However, in spite of its important role as a flame intermediate, the detailed chemical structures of acetylene diffusion flames have not been studied in the past. Here the detailed chemical structures of counterflow diffusion flames of acetylene at strain rates of 37.7 and 50.3 s{sup -1} are presented. Both flames possessed the same carbon density of 0.37 g/L corresponding to an acetylene mole fraction of 0.375 in argon on the fuel side, and an oxygen mole fraction of 0.22 in argon on the oxidizer side. Concentration profiles of a large number of major, minor, and trace species, including a wide spectrum of aromatics and PAH, have been determined by direct sampling from flames using a heated quartz microprobe coupled to an online gas chromatograph/mass selective detector (GC/MSD). Temperature profiles were made using a thermocouple and the rapid insertion technique. Although the major species concentrations were nearly the same in the two flames, the mole fraction profiles of trace combustion by-products were significantly lower in the higher-strain-rate flame, by nearly two orders of magnitude for PAH. These comparative results provide new information on the trace chemistries of acetylene flames and should be useful for the development and validation of detailed chemical kinetic mechanisms describing the formation of toxic by-products in the combustion of hydrocarbons and halogenated hydrocarbons. (author)

  18. 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.

  19. Combustion and Emissions

    NSDL National Science Digital Library

    A flickering candle lights the way for a scientific investigation. This lesson uses hands-on demonstrations and web-based presentations to explore the science of combustion. Students become environmental experts as they learn about combustion emissions and how they affect human health and the environment. The lesson would be useful for physics and chemistry for grades 7-12 and would take multiple class periods to cover in full.

  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. Combustion of energetic materials: Semi annual progress report, April-September 1987

    SciTech Connect

    Not Available

    1988-01-01

    Our program emphasizes fundamental research and is directed towards understanding the combustion, chemistry and physics of energetic solids and liquids. Experimental effort consists of the following: (1) solid propellant thermal decomposition and deflagration studies and (2) liquid monopropellant ignition and combustion studies. A gas-flame experiment designed to model the two-stage flame characteristics of solid propellant deflagration has been established and both conventional and laser diagnostics have been incorporated into it. Thermal decomposition (using laser heating) of solid propellants is being studied using a modulated molecular beam mass spectrometer that will be complemented by laser-induced fluorescence diagnostics. Gas-phase flame models used previously for hydrocarbon flame analysis are being extended to study gas-phase reactions in nitramine propellants. Quantum chemistry calculations are being performed to investigate the molecular decomposition mechanisms of energetic materials. Solid propellant deflagration is being modeled analytically and through the use of two-dimensional thermochemical codes developed earlier for related research programs. Droplet combustion models developed for hydrocarbon fuels are being extended for liquid monopropellant applications. 43 refs., 40 figs., 2 tabs.

  2. 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 ?PAHs in both gas and particle phases varied from 1.3 to 1631.7 ?g 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 ?PAHs 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.

  3. Nox reduction system utilizing pulsed hydrocarbon injection

    DOEpatents

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

    2001-01-01

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

  4. Spectral optimization and uncertainty quantification in combustion modeling

    NASA Astrophysics Data System (ADS)

    Sheen, David Allan

    Reliable simulations of reacting flow systems require a well-characterized, detailed chemical model as a foundation. Accuracy of such a model can be assured, in principle, by a multi-parameter optimization against a set of experimental data. However, the inherent uncertainties in the rate evaluations and experimental data leave a model still characterized by some finite kinetic rate parameter space. Without a careful analysis of how this uncertainty space propagates into the model's predictions, those predictions can at best be trusted only qualitatively. In this work, the Method of Uncertainty Minimization using Polynomial Chaos Expansions is proposed to quantify these uncertainties. In this method, the uncertainty in the rate parameters of the as-compiled model is quantified. Then, the model is subjected to a rigorous multi-parameter optimization, as well as a consistency-screening process. Lastly, the uncertainty of the optimized model is calculated using an inverse spectral optimization technique, and then propagated into a range of simulation conditions. An as-compiled, detailed H2/CO/C1-C4 kinetic model is combined with a set of ethylene combustion data to serve as an example. The idea that the hydrocarbon oxidation model should be understood and developed in a hierarchical fashion has been a major driving force in kinetics research for decades. How this hierarchical strategy works at a quantitative level, however, has never been addressed. In this work, we use ethylene and propane combustion as examples and explore the question of hierarchical model development quantitatively. The Method of Uncertainty Minimization using Polynomial Chaos Expansions is utilized to quantify the amount of information that a particular combustion experiment, and thereby each data set, contributes to the model. This knowledge is applied to explore the relationships among the combustion chemistry of hydrogen/carbon monoxide, ethylene, and larger alkanes. Frequently, new data will become available, and it will be desirable to know the effect that inclusion of these data has on the optimized model. Two cases are considered here. In the first, a study of H2/CO mass burning rates has recently been published, wherein the experimentally-obtained results could not be reconciled with any extant H2/CO oxidation model. It is shown in that an optimized H2/CO model can be developed that will reproduce the results of the new experimental measurements. In addition, the high precision of the new experiments provide a strong constraint on the reaction rate parameters of the chemistry model, manifested in a significant improvement in the precision of simulations. In the second case, species time histories were measured during n-heptane oxidation behind reflected shock waves. The highly precise nature of these measurements is expected to impose critical constraints on chemical kinetic models of hydrocarbon combustion. The results show that while an as-compiled, prior reaction model of n-alkane combustion can be accurate in its prediction of the detailed species profiles, the kinetic parameter uncertainty in the model remains to be too large to obtain a precise prediction of the data. Constraining the prior model against the species time histories within the measurement uncertainties led to notable improvements in the precision of model predictions against the species data as well as the global combustion properties considered. Lastly, we show that while the capability of the multispecies measurement presents a step-change in our precise knowledge of the chemical processes in hydrocarbon combustion, accurate data of global combustion properties are still necessary to predict fuel combustion.

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

    SciTech Connect

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

    1993-12-01

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

  6. Combustion simulation in computer predictions

    SciTech Connect

    Dong, M.; Lilley, D.G. [Oklahoma State Univ., Stillwater, OK (United States). School of Mechanical and Aerospace Engineering

    1995-12-31

    One-step chemical reaction schemes fail to predict the important characteristics of hydrocarbon oxidation, that is, the formation of intermediates and carbon monoxide, which influence the combustion process considerably. Higher-order chemical reaction schemes are needed. Two-step and four-step schemes show promise, and their features are described in detail in the present paper, so as to permit improved combustion simulation.

  7. Gas turbine alternative fuels combustion characteristics

    Microsoft Academic Search

    R. James Rollbuhler

    1989-01-01

    An experimental investigation was conducted to obtain combustion performance and exhaust pollutant concentrations for specific synthetic hydrocarbon fuels. Baseline comparison fuels used were gasoline and diesel fuel number two. Testing was done over a range of fuel to air mass ratios, total mass flow rates, and input combustion air temperatures in a flame-tube-type gas turbine combustor. Test results were obtained

  8. Twenty-Seventh Symposium (International) on Combustion/The Combustion Institute, 1998/pp. 20692076 PLANAR LASER-INDUCED FLUORESCENCE IMAGING OF CREVICE

    E-print Network

    Long, Marshall B.

    the impact of internal combustion engine hydrocarbon emissions on the environment have prompted tighter2069 Twenty-Seventh Symposium (International) on Combustion/The Combustion Institute, 1998/pp. 2069 combustion. The dominant single source in a warmed-up engine is believed to be the crevices lo- cated within

  9. The Mechanism of High Temperature Combustion of Propane and Butane

    Microsoft Academic Search

    JÜRGEN WARNATZ

    1983-01-01

    By combination of a mechanism describing lean and moderately rich combustion of alkanes and alkenes with a mechanism describing rich combustion and formation of soot pre-cursors in acetylene flames, a general reaction scheme is developed for the simulation of lean and rich high-temperature combustion of hydrocarbons up to C4 - species. Results of these simulations are compared to experimental data,

  10. A shock tube study of the reactions of the hydroxyl radical with combustion species

    SciTech Connect

    Cohen, N.

    1991-05-21

    The reactions of OH radicals with hydrocarbons have received a great deal of attention in recent years because of these processes are principal steps in the oxidation of organic fuels -- whether occurring in combustion/propulsion systems, in the atmosphere, or elsewhere. Of the various radicals capable of attacking hydrocarbons, OH radicals are generally the most reactive, and their reactions directly yield water molecules, one of the major final oxidation products. In the atmosphere, the combined effect of the OH radical's reactivity and concentration make it the single species that determines the atmospheric lifetime of an organic substance. The principal goals of the kineticist in the field of oxidation chemistry are (1) to measure as many elementary reaction rate coefficients as are conveniently studied in the laboratory; and (2) to develop theoretical and/or semiempirical tools for extrapolating from measured rate coefficients to unmeasured ones. The latter step is necessary because of the sheer number of reactions of possible interest.

  11. Hydrocarbon pneumonia

    MedlinePLUS

    ... or solvents. These hydrocarbons have a very low viscosity. This means that they are very very thin ... signs, including temperature, pulse, breathing rate, and blood pressure. The following tests may be done: Blood gas ...

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

    PubMed

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

    2014-04-30

    To facilitate monitoring efforts, a forensic chemical fingerprinting methodology has been applied to characterize and differentiate pyrogenic (combustion derived) and biogenic (organism derived) hydrocarbons from petrogenic (petroleum derived) hydrocarbons in environmental samples from the Canadian oil sands region. Between 2009 and 2012, hundreds of oil sands environmental samples including water (snowmelt water, river water, and tailings pond water) and sediments (from river beds and tailings ponds) have been analyzed. These samples were taken from sites where assessments of wild fish health, invertebrate communities, toxicology and detailed chemistry are being conducted as part of the Canada-Alberta Joint Oil Sands Monitoring Plan (JOSMP). This study describes the distribution patterns and potential sources of PAHs from these integrated JOSMP study sites, and findings will be linked to responses in laboratory bioassays and in wild organisms collected from these same sites. It was determined that hydrocarbons in Athabasca River sediments and waters were most likely from four sources: (1) petrogenic heavy oil sands bitumen; (2) biogenic compounds; (3) petrogenic hydrocarbons of other lighter fuel oils; and (4) pyrogenic PAHs. PAHs and biomarkers detected in snowmelt water samples collected near mining operations imply that these materials are derived from oil sands particulates (from open pit mines, stacks and coke piles). PMID:24632369

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

    SciTech Connect

    Sankaran, R.; Grout, R.

    2012-01-01

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

  14. Hydrocarbon Measurements Aboard the Ron Brown During NEAQS 2004: Chemical Time Scales and Evidence of Chlorine Chemistry in the Marine Boundary Layer

    NASA Astrophysics Data System (ADS)

    Goldan, P. D.; Kuster, W. C.; Shao, M.; Fehsenfeld, F. C.

    2005-12-01

    Ratios of the observed concentrations of Non-Methane Hydrocarbons (NMHCs) have frequently been used to gain insight into the loss mechanisms of those NMHCs. By choosing NMHCs with substantially different rates of reactions with a major reaction partner such as OH, together with an estimate of the OH mean concentration, a "chemical age" may be calculated for the air mass sampled. The ratio of toluene to benzene, for example, has been frequently invoked to calculate such a "chemical age". A different NMHC ratio, resulting in a substantially different calculated "chemical age", may be taken as evidence of more than one significant loss mechanism. Examples of such substantial disagreement will be presented using NMHCs that undergo rapid reaction with Cl radicals. The reconciliation of such disagreements yields an estimate of the marine boundary layer Cl concentration. This estimate will be compared to other reported indirect estimates of maritime Cl contentrations.

  15. Effects of ozonation on mutagenic activity of polycyclic aromatic hydrocarbons

    Microsoft Academic Search

    Bruno Fouillet; Paul Chambon; Renée Chambon; Marcel Castegnaro; Nicole Weill

    1991-01-01

    Polycyclic aromatic hydrocarbons (PAH) represent a broad class of pollutants which are widely distributed in the environment (Neff 1979; Nikolaou et al. 1984) .These aromatic hydrocarbons are generated by incomplete combustion processes: many of them have been shown to possess mutagenic and carcinogenic activities (I.A.R.C. 1983). Therefore studies were undertaken in order to test the efficacy of various techniques to

  16. Sandia Combustion Research Program

    SciTech Connect

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

    1988-01-01

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

  17. Atmospheric polycyclic aromatic hydrocarbons: Source attribution, emission factors and regulation

    Microsoft Academic Search

    Khaiwal Ravindra; Ranjeet Sokhi; René Van Grieken

    2008-01-01

    There is an increasing concern about the occurrence of polycyclic aromatic hydrocarbons (PAHs) in the environment as they are ubiquitous in ambient air and some of them are among the strongest known carcinogens. PAHs and their derivatives are produced by the incomplete combustion of organic material arising, partly, from natural combustion such as forest and volcanic eruption, but with the

  18. Stripping hydrocarbons from catalyst with combustion gases

    Microsoft Academic Search

    V. K. Myers; L. E. Busch; B. E. Jr. McKay

    1984-01-01

    A process is claimed for economically converting carbo-metallic oils to lighter products. The carbo-metallic oils contain 650°F and material which is characterized by a carbon residue on pyrolysis of at least about 1 and a Nickel Equivalents of heavy metals content of at least about 4 parts per million. This process comprises flowing the carbo-metallic oil together with particulate cracking

  19. ENVIRONMENTAL CARCINOGENIC POLYCYCLIC AROMATIC HYDROCARBONS: PHOTOCHEMISTRY AND PHOTOTOXICITY

    Microsoft Academic Search

    Hongtao Yu

    2002-01-01

    Polycyclic aromatic hydrocarbons (PAHs) are a class of environmental contaminants that has long been of interest in the fields of organic chemistry, theoretical chemistry, physical chemistry, environmental science, toxicology, cancer research, and energy sciences. Concerning environmental science and cancer research, majority of the research has focused on the occurrence, environmental fate, degradation\\/remediation, chemical transformation, genotoxicity, metabolism and metabolic activation, DNA

  20. Polycyclic aromatic hydrocarbons: environmental pollution and bioremediation

    Microsoft Academic Search

    Sudip K Samanta; Om V Singh; Rakesh K Jain

    2002-01-01

    Polycyclic aromatic hydrocarbons (PAHs) are widely distributed and relocated in the environment as a result of the incomplete combustion of organic matter. Many PAHs and their epoxides are highly toxic, mutagenic and\\/or carcinogenic to microorganisms as well as to higher systems including humans. Although various physicochemical methods have been used to remove these compounds from our environment, they have many

  1. Hydrocarbon Exploration

    NSDL National Science Digital Library

    elhamy Tarabees

    To detect the hydrocarbon reservoir, structure traps should be detected. Seismic reflection profiles can be used to illustrate the structure image for the subsurface layers and hence, find out structure traps for oil. key words: Seismic reflection profiles, structural traps, oil potentialities,...

  2. Catalytic Combustion of Syngas

    Microsoft Academic Search

    John Mantzaras

    2008-01-01

    The catalytic combustion of syngas\\/air mixtures over Pt has been investigated numerically in a channel-flow configuration using 2D steady and transient computer codes with detailed hetero-\\/homogeneous chemistry, transport, and heat transfer mechanisms in the solid. Simulations were carried out for syngas compositions with varying H2 and CO contents, pressures of 1 to 15 bar, and linear velocities relevant to power

  3. Spray combustion

    SciTech Connect

    Chigier, N. [Carnegie Mellon Univ., Pittsburgh, PA (United States). Dept. of Mechanical Engineering

    1995-12-31

    A survey is presented of the most recent developments in the field of spray combustion. Topics discussed are: physical processes of atomization; drop clusters; droplet arrays and streams; ideal sprays; cloud combustion; theoretical models of spray diffusion flames; spray diagnostic techniques; measurement of drop temperature; and spray combustion measurements. 67 refs.

  4. Simulating Combustion

    Microsoft Academic Search

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

    2006-01-01

    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

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

    SciTech Connect

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

    2014-01-01

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

  6. A shock tube study of the reactions of the hydroxyl radical with combustion species. Progress report, June 1990--May 1991

    SciTech Connect

    Cohen, N.

    1991-05-21

    The reactions of OH radicals with hydrocarbons have received a great deal of attention in recent years because of these processes are principal steps in the oxidation of organic fuels -- whether occurring in combustion/propulsion systems, in the atmosphere, or elsewhere. Of the various radicals capable of attacking hydrocarbons, OH radicals are generally the most reactive, and their reactions directly yield water molecules, one of the major final oxidation products. In the atmosphere, the combined effect of the OH radical`s reactivity and concentration make it the single species that determines the atmospheric lifetime of an organic substance. The principal goals of the kineticist in the field of oxidation chemistry are (1) to measure as many elementary reaction rate coefficients as are conveniently studied in the laboratory; and (2) to develop theoretical and/or semiempirical tools for extrapolating from measured rate coefficients to unmeasured ones. The latter step is necessary because of the sheer number of reactions of possible interest.

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

    SciTech Connect

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

    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.

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

    NASA Astrophysics Data System (ADS)

    Klingbeil, Adam Edgar

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

  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. Effect of catalytic converter on rotary combustion engine exhaust

    Microsoft Academic Search

    K. C. Tsao; O. K. Foo; Y. Y. Tom

    1974-01-01

    The effect of a monolithic catalytic converter on rotary combustion engine exhaust was investigated at various engine operating conditions. The concentrations of hydrocarbons and carbon monoxide were determined by flame ionization detection and non-dispersive infrared methods. The percentages of reduction of hydrocarbons and CO concentrations were affected by the inlet gas temperature of the monolithic converter, the loading, the air-fuel

  11. 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.

  12. Twenty-Seventh Symposium (International) on Combustion/The Combustion Institute, 1998/pp. 10811086 PDF CALCULATIONS OF MAJOR AND MINOR SPECIES IN A TURBULENT

    E-print Network

    1081 Twenty-Seventh Symposium (International) on Combustion/The Combustion Institute, 1998/pp. 1081 [12] was used in the first work while an assumption of self-similar chemistry was made for the second

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

    PubMed

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

    2014-01-28

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

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

    SciTech Connect

    Gusinow, M.A. (ed.)

    1980-09-01

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

  15. Low NOx combustion using cogenerated oxygen and nitrogen streams

    DOEpatents

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

    2009-02-03

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

  16. Chemistry 321 Organic Chemistry

    E-print Network

    Wagner, Diane

    Chemistry 321 Organic Chemistry Fall 2010 MWF 1:00-2:00 Reichardt Bldg 202 Instructor: Thomas Dept.) Office Hours: By appointment Required Materials: Organic Chemistry 7th Ed., J. McMurry, Brooks/Cole OWL card RF classroom clicker Recommended: Study Guide & Solutions Manual for Org Chemistry HGS

  17. CHEMISTRY 11500 General Chemistry

    E-print Network

    Jiang, Wen

    CHEMISTRY 11500 General Chemistry Spring 2014 Professor Dr. John J. Nash; BRWN 4103C; phone: 494.edu (Lab) Required Course Materials Chemistry: The Molecular Nature of Matter and Change, 6th Ed., by M. S. Silberberg, McGraw-Hill, 2012. Chemistry 11500 Laboratory Manual, 2013-2014, Hayden-McNeil Publishing, Inc

  18. 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. [Chinese Academy of Sciences, Beijing (China)

    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.

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

    DOEpatents

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

    2014-01-14

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

  20. Combustion in Meso-scale Vortex Chambers Ming-hsun Wu*

    E-print Network

    Yang, Vigor

    1 Combustion in Meso-scale Vortex Chambers Ming-hsun Wu* , Yanxing Wang, Vigor Yang and Richard A) #12;2 COMBUSTION IN MESO-SCALE VORTEX CHAMBERS Ming-hsun Wu, Yanxing Wang, Vigor Yang and Richard A with the chemical energy varying from 25 to 174W. For the largest combustion volume, hydrogen and hydrocarbons

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

    DOEpatents

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

    1998-01-01

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

  2. 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.

  3. Laboratory studies of lean combustion

    NASA Technical Reports Server (NTRS)

    Sawyer, R. F.; Schefer, R. W.; Ganji, A. R.; Daily, J. W.; Pitz, R. W.; Oppenheim, A. K.; Angeli, J. W.

    1977-01-01

    The fundamental processes controlling lean combustion were observed for better understanding, with particular emphasis on the formation and measurement of gas-phase pollutants, the stability of the combustion process (blowout limits), methods of improving stability, and the application of probe and optical diagnostics for flow field characterization, temperature mapping, and composition measurements. The following areas of investigation are described in detail: (1) axisymmetric, opposed-reacting-jet-stabilized combustor studies; (2) stabilization through heat recirculation; (3) two dimensional combustor studies; and (4) spectroscopic methods. A departure from conventional combustor design to a premixed/prevaporized, lean combustion configuration is attractive for the control of oxides of nitrogen and smoke emissions, the promotion of uniform turbine inlet temperatures, and, possibly, the reduction of carbon monoxide and hydrocarbons at idle.

  4. Discontinuous Galerkin Method for Combustion

    NASA Astrophysics Data System (ADS)

    Lv, Yu; Ihme, Matthias

    2012-11-01

    Over recent years, the discontinuous Galerkin (DG) method has found increased interest in application to advection-dominated hyperbolic flows. However, extending DG to combustion introduces several challenges that are associated with the treatment of diffusion-dominated multi-species transport, non-uniform thermal properties, and the consideration of complex and stiff reaction chemistry. By considering all of these aspects, a DG-formulation for multi-species combustion has been developed. After presenting the numerical method and demonstrating higher-order convergence properties, this formulation is applied to relevant combustion problems, involving multi-species mixing, deflagration, and detonation-systems. Results are compared against solutions from conventional finite-volume/finite-difference-schemes, and potential benefits of the DG-method for combustion are discussed.

  5. hal-00258891,version1-25Feb2008 Polycyclic Aromatic Hydrocarbons (PAH's) in dense cloud

    E-print Network

    Paris-Sud XI, Université de

    hal-00258891,version1-25Feb2008 Polycyclic Aromatic Hydrocarbons (PAH's) in dense cloud chemistry V aromatic hydrocarbons (PAH's). This omission is unfortunate because from the few studies that have been done on the sub- ject, it is known that the inclusion of PAH's can affect the gas-phase chemistry

  6. Combustion Group Group members

    E-print Network

    Wang, Wei

    Combustion Group Group members: Thierry Poinsot, Emilien Courtine, Luc Vervisch, Benjamin Farcy § New combustion and energy-conversion concepts #12;Introduction Combustion research thrusts Combustion Dynamics and Flame-Stabilization Research objectives § Obtain fundamental understanding of combustion

  7. Combustion chamber for internal combustion engine

    Microsoft Academic Search

    Isida

    1988-01-01

    This patent describes a combustion chamber for an internal combustion engine, comprising: a main combustion chamber hollowed out of the top of a piston; a subsidiary combustion chamber hollowed out of the piston top, the subsidiary combustion chamber communicating with and disposed in side by side relationship to the main combustion chamber; a fuel injection nozzle located generally between the

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

    E-print Network

    Levine, Alex J.

    ..............................................................................................................................................................11 Physical Chemistry ConcentrationDepartment of Chemistry & Biochemistry UCLA Chemistry, Biochemistry & Chemistry Material Science ...........................................................................................................................................4 Chemistry & Biochemistry Undergraduate Office

  9. Progress in energy and combustion. Vol. 8

    Microsoft Academic Search

    Chigier

    1983-01-01

    This book contains 14 reviews by international authorities in the field. Includes bibliographies for each review, a subject index to the current volume, and a list of contents of previous volumes. Contents, abridged are: modeling of unsteady two-phase reactive flow in porous beds of propellant; fuel atomization for spray modelling; synfuels; turbulent hydrocarbon jet flames; conditional sampling in turbulent combustion;

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

    PubMed

    Ruokojärvi, P; Aatamila, M; Ruuskanen, J

    2000-09-01

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

  11. Photocatalyzed oxidation of hydrocarbons in zeolite cages

    SciTech Connect

    Frei, H.; Blatter, F.; Sun, H. [Lawrence Berkeley National Lab., CA (United States)

    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.

  12. The impact of nonmethane hydrocarbon compounds on tropospheric photochemistry

    Microsoft Academic Search

    Sander Houweling; Frank Dentener; Jos Lelieveld

    1998-01-01

    Nonmethane hydrocarbons (NMHC) play an important role in global scale tropospheric photochemistry. The representation of NMHC chemistry in three-dimensional tropospheric chemistry transport models requires a highly parameterized description of only the most important processes, as the number of reactions and compounds involved is very large. In this paper a chemical scheme is presented, based on the Carbon Bond Mechanism 4

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

    EPA Science Inventory

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

  14. 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.

  15. Determination of stable carbon and hydrogen isotopes of light hydrocarbons

    Microsoft Academic Search

    Ingolf. Dumke; Eckhard. Faber; Juergen. Poggenburg

    1989-01-01

    A combined system for the measurement of ¹³C\\/¹²C and D\\/H ratios on light hydrocarbons (Câ-Câ) and COâ is described. The system is designed for natural gas and sediment gas analyses. It comprises gas chromatographic separation with online combustion of hydrocarbons to COâ and HâO, reduction of HâO to Hâ on zinc in closed ampules, and mass spectrometric determination of isotope

  16. Combustion Control

    E-print Network

    Riccardi, R. C.

    1984-01-01

    . Because each furnace is designed and operated differently, careful evaluation is required. Look at several options. The performance and efficiency of a combustion system depends upon several major factors. They are: 1) Fuel to air ratio control, 2) Fuel...

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

    NASA Astrophysics Data System (ADS)

    Shiraiwa, M.; Garland, R. M.; Pöschl, U.

    2009-12-01

    We present a kinetic double-layer surface model (K2-SURF) that describes the degradation of polycyclic aromatic hydrocarbons (PAHs) on aerosol particles exposed to ozone, nitrogen dioxide, water vapor, hydroxyl and nitrate radicals. The model is based on multiple experimental studies of PAH degradation and on the PRA framework (Pöschl-Rudich-Ammann, 2007) for aerosol and cloud surface chemistry and gas-particle interactions. For a wide range of substrates, including solid and liquid organic and inorganic substances (soot, silica, sodium chloride, octanol/decanol, organic acids, etc.), the concentration- and time-dependence of the heterogeneous reaction between PAHs and O3 can be efficiently described with a Langmuir-Hinshelwood-type mechanism. Depending on the substrate material, the Langmuir adsorption constants for O3 vary over three orders of magnitude (Kads,O3 ? 10-15-10-13 cm3), and the second-order rate coefficients for the surface layer reaction of O3 with different PAH vary over two orders of magnitude (kSLR,PAH,O3 ? 10-18-10-17 cm2 s-1). The available data indicate that the Langmuir adsorption constants for NO2 are similar to those of O3, while those of H2O are several orders of magnitude smaller (Kads,H2O ? 10-18-10-17 cm3). The desorption lifetimes and adsorption enthalpies inferred from the Langmuir adsorption constants suggest chemisorption of NO2 and O3 and physisorption of H2O. Note, however, that the exact reaction mechanisms, rate limiting steps and possible intermediates still remain to be resolved (e.g., surface diffusion and formation of O atoms or O3- ions at the surface). The K2-SURF model enables the calculation of ozone uptake coefficients, ?O3, and of PAH concentrations in the quasi-static particle surface layer. Competitive adsorption and chemical transformation of the surface (aging) lead to a strong non-linear dependence of ?O3 on time and gas phase composition, with different characteristics under dilute atmospheric and concentrated laboratory conditions. Under typical ambient conditions, ?O3 of PAH-coated aerosol particles are expected to be in the range of 10-6-10-5. At ambient temperatures, NO2 alone does not efficiently degrade PAHs, but it was found to accelerate the degradation of PAHs exposed to O3. The accelerating effect can be attributed to highly reactive NO3 radicals formed in the gas phase or on the surface. Estimated second-order rate coefficients for O3-NO2 and PAH-NO3 surface layer reactions are in the range of 10-17-10-16 cm2 s-1 and 10-15-10-12 cm2 s-1, respectively. The chemical half-life of PAHs is expected to range from a few minutes on the surface of soot to multiple hours on organic and inorganic solid particles and days on liquid particles. On soot, the degradation of particle-bound PAHs in the atmosphere appears to be dominated by a surface layer reaction with adsorbed ozone. On other substrates, it is likely dominated by gas-surface reactions with OH or NO3 radicals (Eley-Rideal-type mechanism). To our knowledge, K2-SURF is the first atmospheric process model describing multiple types of parallel and sequential surface reactions between multiple gaseous and particle-bound chemical species. It illustrates how the general equations of the PRA framework can be simplified and adapted for specific reaction systems, and we suggest that it may serve as a basis for the development of a general master mechanism of aerosol and cloud surface chemistry.

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

    NASA Astrophysics Data System (ADS)

    Shiraiwa, M.; Garland, R. M.; Pöschl, U.

    2009-09-01

    We present a kinetic double-layer surface model (K2-SURF) that describes the degradation of polycyclic aromatic hydrocarbons (PAHs) on aerosol particles exposed to ozone, nitrogen dioxide, water vapor, hydroxyl and nitrate radicals. The model is based on multiple experimental studies of PAH degradation and on the PRA framework (Pöschl et al., 2007) for aerosol and cloud surface chemistry and gas-particle interactions. For a wide range of substrates, including solid and liquid organic and inorganic substances (soot, silica, sodium chloride, octanol/decanol, organic acids, etc.), the concentration- and time-dependence of the heterogeneous reaction between PAHs and O3 can be efficiently described with a Langmuir-Hinshelwood-type mechanism. Depending on the substrate material, the Langmuir adsorption constants for O3 vary over three orders of magnitude (Kads,O3?10-15-10-13 cm3), and the second-order rate coefficients for the surface layer reaction of O3 with different PAH vary over two orders of magnitude (kSLR,PAH,O3?10-18-10-17 cm2 s-1). The available data indicate that the Langmuir adsorption constants for NO2 are similar to those of O3, while those of H2O are several orders of magnitude smaller (Kads,H2O?10-18-10-17 cm3). The desorption lifetimes and adsorption enthalpies inferred from the Langmuir adsorption constants suggest chemisorption of NO2 and O3 - possibly in the form of O atoms - and physisorption of H2O. The K2-SURF model enables the calculation of ozone uptake coefficients, ?O3, and of PAH concentrations in the quasi-static particle surface layer. Competitive adsorption and chemical transformation of the surface (aging) lead to a strong non-linear dependence of ?O3 on time and gas phase composition, with different characteristics under dilute atmospheric and concentrated laboratory conditions. Under typical ambient conditions, ?O3 of PAH-coated aerosol particles are expected to be in the range of 10-6-10-5. At ambient temperatures, NO2 alone does not efficiently degrade PAHs, but it was found to accelerate the degradation of PAHs exposed to O3. The accelerating effect can be attributed to highly reactive NO3 radicals formed in the gas phase or on the surface. Estimated second-order rate coefficients for O3-NO2 and PAH-NO3 surface layer reactions are in the range of 10-17-10-16 cm2 s-1 and 10-15-10-12 cm2 s-1, respectively. The chemical half-life of PAH is expected to range from a few minutes on the surface of soot to multiple hours on organic and inorganic solid particles and days on liquid particles. On soot, the degradation of particle-bound PAHs in the atmosphere appears to be dominated by a surface layer reaction with adsorbed ozone. On other substrates, it is likely dominated by gas-surface reactions with OH or NO3 radicals (Eley-Rideal-type mechanism). To our knowledge, K2-SURF is the first atmospheric process model describing multiple types of parallel and sequential surface reactions between multiple gaseous and particle-bound chemical species. It illustrates how the general equations of the PRA framework can be simplified and adapted for specific reaction systems, and we suggest that it may serve as a basis for the development of a general master mechanism of aerosol and cloud surface chemistry.

  19. Electrically heated particulate filter regeneration using hydrocarbon adsorbents

    DOEpatents

    Gonze, Eugene V [Pinckney, MI

    2011-02-01

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

  20. Combustion synthesis

    Microsoft Academic Search

    Kashinath C Patil; Singanahally T Aruna; Sambandan Ekambaram

    1997-01-01

    Many innovative self-propagating high-temperature synthesis (SHS) techniques such as filtration, combustion, the centrifugal thermite process, field activated combustion, solid-state metathesis, flame synthesis and simultaneous SHS and densification have been developed for the synthesis of ‘advanced materials’. A novel gas producing self-propagating process initiated at low temperature using redox compounds and mixtures has been used for the preparation of fine particle

  1. Combustion chamber for internal combustion engines

    Microsoft Academic Search

    Kawamura

    1988-01-01

    A combustion chamber for internal combustion engines, of the type including means for producing swirl within the combustion chamber is described comprising: a combustion chamber provided in the head portion of a piston in the form of a cavity recessed in the axial direction of the piston; fuel injection nozzle means disposed in the combustion chamber and positioned eccentrically with

  2. Combustion chamber for internal combustion engines

    Microsoft Academic Search

    N. Yanagisawa; Y. Sato

    1989-01-01

    A combustion chamber is described for an internal combustion engine, comprising: a main combustion chamber defined by a recess in the top of a piston of the engine, the main combustion chamber being formed with its opening diameter progressively enlarged downwards in the axial direction of the main combustion chamber, and a lip part formed along the periphery of the

  3. Brookhaven National Laboratory: Chemistry Department

    NSDL National Science Digital Library

    At this website, the Brookhaven National Laboratory presents its chemistry research dealing primarily with imaging and neuroscience, charge transfer for energy conversion, chemistry with ionizing radiation, catalysis and surface science, nanoscience, combustion, and nuclear chemistry. Within each category, users can find instructive text and supportive images about the specific projects and the leading researchers. Visitors can learn about the Beamline U7A at the National Synchrotron Light Source, the Laser-Electron Accelerator Facility (LEAF), the Positron Emission Tomography (PET) Facility, and other exceptional research facilities. The website features histories of the chemistry department and of the Brookhaven National Laboratory.

  4. Combustion Group Group members

    E-print Network

    Wang, Wei

    Combustion Group Group members: Thierry Poinsot, Emilien Courtine, Luc Vervisch, Benjamin Farcy 2014 #12;Combustion Group Combustion Physics and Modeling Pollutants, Emissions, and Soot Formation Thermoacoustics and Combustion Dynamics Research focus § Examine mechanisms responsible for flame stabilization

  5. 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.

  6. Bubble Combustion

    NASA Technical Reports Server (NTRS)

    Corrigan, Jackie

    2004-01-01

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

  7. Proceedings of the Combustion Institute, Volume 28, 2000/pp. 13051313 SCALING AND DEVELOPMENT OF LOW-SWIRL BURNERS FOR LOW-

    E-print Network

    Knowles, David William

    1305 Proceedings of the Combustion Institute, Volume 28, 2000/pp. 1305­1313 SCALING AND DEVELOPMENT Combustion Laboratory University of California, Irvine Irvine, California 92697, USA 3 Arthur D. Little, Inc. However, emissions of CO and unburned hydrocarbons were strongly coupled to the combustion chamber size

  8. Hydrogen enrichment effects on the second law analysis of natural and landfill gas combustion in engine cylinders

    Microsoft Academic Search

    C. D. Rakopoulos; D. C. Kyritsis

    2006-01-01

    The availability (exergy) balance during combustion of hydrogen-enriched natural and landfill gas, which are used as fuels in combustion engine cylinders, is studied computationally using a zero-dimensional model of the closed part of the cycle. The main focus is on the demonstration of a fundamental difference in the generation of irreversibility during combustion between hydrogen and hydrocarbons. This difference relates

  9. 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.

  10. 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.

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

    NASA Astrophysics Data System (ADS)

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

    2010-05-01

    We present a kinetic double-layer surface model (K2-SURF) that describes the degradation of polycyclic aromatic hydrocarbons (PAHs) on aerosol particles exposed to ozone, nitrogen dioxide, water vapor, hydroxyl and nitrate radicals [1]. The model is based on multiple experimental studies of PAH degradation and on the Pöschl-Rudich-Ammann (PRA) framework [2] for aerosol and cloud surface chemistry and gas-particle interactions. For a wide range of substrates, including solid and liquid organic and inorganic substances (soot, silica, sodium chloride, octanol/decanol, organic acids, etc.), the concentration- and time-dependence of the heterogeneous reaction between PAHs and O3 can be efficiently described with a Langmuir-Hinshelwood-type mechanism. Depending on the substrate material, the Langmuir adsorption constants for O3 vary over three orders of magnitude, and the second-order rate coefficients for the surface layer reaction of O3 with different PAH vary over two orders of magnitude. The available data indicate that the Langmuir adsorption constants for NO2 are similar to those of O3, while those of H2O are several orders of magnitude smaller. The desorption lifetimes and adsorption enthalpies suggest chemisorption of NO2 and O3 and physisorption of H2O. Note, however, that the exact reaction mechanisms, rate limiting steps and possible intermediates still remain to be resolved (e.g., surface diffusion and formation of O atoms or O3- ions at the surface). The K2-SURF model enables the calculation of ozone uptake coefficients, ?O3, and of PAH concentrations in the quasi-static particle surface layer. Competitive adsorption and chemical transformation of the surface (aging) lead to a strong non-linear dependence of ?O3 on time and gas phase composition, with different characteristics under dilute atmospheric and concentrated laboratory conditions. Under typical ambient conditions, ?O3 of PAH-coated aerosol particles are expected to be in the range of 10-6 - 10-5. At ambient temperatures, NO2 alone does not efficiently degrade PAHs, but it was found to accelerate the degradation of PAHs exposed to O3. The accelerating effect can be attributed to highly reactive NO3 radicals formed in the gas phase or on the surface. Estimated second-order rate coefficients for O3-NO2 and PAH-NO3 surface layer reactions are in the range of 10-17 - 10-16 cm2 s-1 and 10-15 - 10-12 cm2 s-1, respectively. The chemical half-life of PAHs is expected to range from a few minutes on the surface of soot to multiple hours on organic and inorganic solid particles and days on liquid particles. On soot, the degradation of particle-bound PAHs in the atmosphere appears to be dominated by a surface layer reaction with adsorbed ozone. On other substrates, it is likely dominated by gas-surface reactions with OH or NO3 radicals (Eley-Rideal-type mechanism). To our knowledge, K2-SURF is the first atmospheric process model describing multiple types of parallel and sequential surface reactions between multiple gaseous and particle-bound chemical species. It illustrates how the general equations of the PRA framework can be simplified and adapted for specific reaction systems. References: [1] Shiraiwa et al., Atmos. Chem. and Phys., 9, 9571-9586 (2009). [2] Pöschl et al., Atmos. Chem. and Phys., 7, 5989-6023 (2007).

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

    E-print Network

    Ellison, Barney

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

  13. 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.

  14. Online and offline experimental techniques for polycyclic aromatic hydrocarbons recovery and measurement

    NASA Astrophysics Data System (ADS)

    Comandini, A.; Malewicki, T.; Brezinsky, K.

    2012-03-01

    The implementation of techniques aimed at improving engine performance and reducing particulate matter (PM) pollutant emissions is strongly influenced by the limited understanding of the polycyclic aromatic hydrocarbons (PAH) formation chemistry, in combustion devices, that produces the PM emissions. New experimental results which examine the formation of multi-ring compounds are required. The present investigation focuses on two techniques for such an experimental examination by recovery of PAH compounds from a typical combustion oriented experimental apparatus. The online technique discussed constitutes an optimal solution but not always feasible approach. Nevertheless, a detailed description of a new online sampling system is provided which can serve as reference for future applications to different experimental set-ups. In comparison, an offline technique, which is sometimes more experimentally feasible but not necessarily optimal, has been studied in detail for the recovery of a variety of compounds with different properties, including naphthalene, biphenyl, and iodobenzene. The recovery results from both techniques were excellent with an error in the total carbon balance of around 10% for the online technique and an uncertainty in the measurement of the single species of around 7% for the offline technique. Although both techniques proved to be suitable for measurement of large PAH compounds, the online technique represents the optimal solution in view of the simplicity of the corresponding experimental procedure. On the other hand, the offline technique represents a valuable solution in those cases where the online technique cannot be implemented.

  15. Online and offline experimental techniques for polycyclic aromatic hydrocarbons recovery and measurement.

    PubMed

    Comandini, A; Malewicki, T; Brezinsky, K

    2012-03-01

    The implementation of techniques aimed at improving engine performance and reducing particulate matter (PM) pollutant emissions is strongly influenced by the limited understanding of the polycyclic aromatic hydrocarbons (PAH) formation chemistry, in combustion devices, that produces the PM emissions. New experimental results which examine the formation of multi-ring compounds are required. The present investigation focuses on two techniques for such an experimental examination by recovery of PAH compounds from a typical combustion oriented experimental apparatus. The online technique discussed constitutes an optimal solution but not always feasible approach. Nevertheless, a detailed description of a new online sampling system is provided which can serve as reference for future applications to different experimental set-ups. In comparison, an offline technique, which is sometimes more experimentally feasible but not necessarily optimal, has been studied in detail for the recovery of a variety of compounds with different properties, including naphthalene, biphenyl, and iodobenzene. The recovery results from both techniques were excellent with an error in the total carbon balance of around 10% for the online technique and an uncertainty in the measurement of the single species of around 7% for the offline technique. Although both techniques proved to be suitable for measurement of large PAH compounds, the online technique represents the optimal solution in view of the simplicity of the corresponding experimental procedure. On the other hand, the offline technique represents a valuable solution in those cases where the online technique cannot be implemented. PMID:22462939

  16. 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.

  17. 1 Doctor of Philosophy in the Field of Chemistry DOCTOR OF PHILOSOPHY IN THE

    E-print Network

    Vertes, Akos

    of biological interest, synthesis; · Physical chemistry--CO2 removal, combustion chemistry, elemental the disciplines of analytical, organic, inorganic, and physical chemistry) are designed to cover the subject1 Doctor of Philosophy in the Field of Chemistry DOCTOR OF PHILOSOPHY IN THE FIELD OF CHEMISTRY

  18. 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.

  19. Combustion Control 

    E-print Network

    Riccardi, R. C.

    1984-01-01

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

  20. Detailed modeling of size distribution functions and hydrogen content in combustion-formed particles

    SciTech Connect

    Sirignano, Mariano; D'Anna, Andrea [Dipartimento di Ingegneria Chimica, Universita di Napoli ''Federico II'', Napoli (Italy); Kent, John [School of Aerospace, Mechanical and Mechatronic Engineering, University of Sydney, Sydney (Australia)

    2010-06-15

    A kinetic modeling approach is proposed to delve into the nature and chemistry of combustion-produced particles. A sectional method is used for the first time on this purpose. It is based on modeling of gas-to-particle transitions by sections containing 125 lumped species with C numbers ranging from 24 to 4 x 10{sup 8} and H/C ratio ranging from 0 to 1. This allows not only the mass evolution of particles, but also their hydrogen content to be followed. The model is tested in an atmospheric pressure premixed flat flame of ethylene/oxygen with C/O = 0.8 and cold gas flow velocity of 4 cm/s. Comparison of modeled results with experimental data is satisfying in terms of species concentrations and H/C ratio of the particles. Analysis of model results in comparison with the experimental data has shown that it is possible to distinguish different precursors of particles moving from the exit of the burner into the post-oxidation region of the flame. At particle inception, i.e. just downstream from the flame front, gas-phase PAHs are responsible for particle nucleation and oligomers of aromatic hydrocarbons and small pericondensed hydrocarbons are predominantly present. Then the dehydrogenation process takes place and soot formation starts; in this zone large pericondensed and stacked structures are produced. Further up soot maturation generally linked with dehydrogenation is present, but still a few particles with higher H/C and with low coagulation efficiency are produced and remain present along the flame. The model, in accordance with experimental structural soot analysis, shows that in soot particles condensed structures typical of clusters of large pericondensed hydrocarbons are present whereas high-molecular mass condensed species mainly comprise oligomers of small aromatic compounds of clusters of small pericondensed hydrocarbons. (author)

  1. Characteristics of hydrogen–hydrocarbon composite fuel turbulent jet flames

    Microsoft Academic Search

    Ahsan R. Choudhuri; S. R. Gollahalli

    2003-01-01

    The characteristics (flame length, pollutant emission, radiative heat loss fraction, and volumetric soot concentration) of hydrogen–hydrocarbon composite fuel turbulent jet diffusion flames are presented. A correlation of flame length with hydrogen concentration in the fuel mixture is shown. The reactivity of fuel mixture increases with the increase of hydrogen concentration, which ultimately shortens the combustion time, and thereby reduces the

  2. Polycyclic Aromatic Hydrocarbons in Maternal and Cord Blood Plasma

    Microsoft Academic Search

    Paula G. Radmacher; Stephen W. Looney; Steven R. Myers

    2010-01-01

    Polycyclic aromatic hydrocarbons (PAH) come from incomplete combustion of organic materials, including tobacco smoke. Some PAH are known to be mutagenic and carcinogenic and of concern for the fetus when women smoke during pregnancy. Known consequences of smoking during pregnancy include low birth weight (LBW) and preterm (PT) delivery. This study was designed to measure concentrations of 3 PAH: anthracene

  3. Structure-biodegradability relationships of polycyclic aromatic hydrocarbons in soil

    Microsoft Academic Search

    Ingeborg D. Bossert; Richard Bartha

    1986-01-01

    The potential of some polycyclic aromatic hydrocarbons (PAH) to be metabolized to mutagenic and\\/or carcinogenic compounds (Cerniglia 1984, Gibson & Subramanian 1984) has caused concern for environmental pollution by this class of residues. In industrialized countries, pollution by PAH is primarily associated with the processing, combustion and disposal of fossil fuels (Bartha & Bossert 1984, Hites& LaFlamme 1977), but low

  4. 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.

  5. Hydrocarbons Heterogeneous Pyrolysis: Experiments and Modeling for Scramjet Thermal Management

    E-print Network

    Paris-Sud XI, Université de

    entering the combustion chamber, a detailed kinetic model of the thermal decomposition of the fuel1 Hydrocarbons Heterogeneous Pyrolysis: Experiments and Modeling for Scramjet Thermal Management of the cracked fuel entering the combustor, an accurate model of the thermal decomposition of the fuel

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

    E-print Network

    Lima, Ana Lúcia Cessel de, 1969-

    2004-01-01

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

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

    E-print Network

    Peck, Jhongwoo, 1976-

    2003-01-01

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

  8. Combustion instability modeling and analysis

    SciTech Connect

    Santoro, R.J.; Yang, V.; Santavicca, D.A. [Pennsylvania State Univ., University Park, PA (United States); Sheppard, E.J. [Tuskeggee Univ., Tuskegee, AL (United States). Dept. of Aerospace Engineering

    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.

  9. Chemistry 417 PHYSICAL CHEMISTRY LABORATORY

    E-print Network

    Richmond, Geraldine L.

    Chemistry 417 PHYSICAL CHEMISTRY LABORATORY Fall, 2008 Lecture: 13:00 Tuesday and Thursday 331 Senning tba 174 Klamath Required Texts: Chemistry 417: Physical Chemistry Laboratory - University.b.: This text is also used in Chemistry 429 Applied Mathematics for Physical Chemistry by James R. Barrante

  10. Compound internal combustion and external combustion engine

    Microsoft Academic Search

    Marttila

    1986-01-01

    A compound engine is described comprising at least one internal combustion cylinder having an inlet and an outlet and one external combustion cylinder having an inlet and an outlet, each of the combustion cylinders having a reciprocable piston therein coupled to a common utilization output shaft, heat exchanger means associated with the external combustion cylinder for transferring heat to a

  11. NOX EMISSIONS MODELING IN BIOMASS COMBUSTION GRATE FURNACES

    Microsoft Academic Search

    B. A. Albrecht; R. J. M. Bastiaans; J. A. van Oijen; L. P. H. de Goey

    A new flamelet combustion model is developed for the modeling of NOx emissions in biomass grate furnaces. The model describes the combustion chemistry using premixed flamelets. The chemical system is mapped on two controlling variables: the mixture fraction and a reaction progress variable. The species mass fractions and temperature are tabulated as functions of the controlling variables in a pre-processing

  12. High efficiency detonation internal combustion engine (DICE)

    NASA Astrophysics Data System (ADS)

    Loth, Eric; Loth, John; Loth, Frank

    1992-07-01

    Controlled detonation combustion could be used in future internal combustion engines to achieve high cycle efficiency and minimize NO(x) formation, if conventional design limitations are removed. An engine is proposed that uses a separate detonation combustion chamber which discharges tangentially into an expansion chamber formed by the piston and cylinder at top dead center. The expansion chamber is designed to efficiently store a portion of the detonation wave's kinetic energy in the form of a vortex, which is subsequently converted into static pressure. The rapid burning, followed by 'leaning' through mixing with air in the vortex chamber, may reduce the formation of NO(x) and unburned hydrocarbons as compared to conventional combustion. The thermodynamic aspects of detonation combustion compared to either constant volume or constant pressure combustion yield a significant increase in combustion compression ratio for fuels such as natural gas. The shock wave propagation through the vortex chamber is described with a shock-capturing finite element Euler flow code supporting the premise of vortex storage and rapid-mixing characteristics.

  13. Chemical Kinetic Models for HCCI and Diesel Combustion

    SciTech Connect

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

    2008-10-30

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

  14. 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...

  15. Advanced Combustion

    SciTech Connect

    Holcomb, Gordon R. [NETL

    2013-03-11

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

  16. 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.

  17. Combustion characteristics of gas turbine alternative fuels

    Microsoft Academic Search

    Rollbuhler

    1987-01-01

    An experimental investigation, cosponsored by the Department of Energy and NASA, was conducted to obtain combustion performance values for specific heavy-end, 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,

  18. 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)

  19. Towards a detailed soot model for internal combustion engines

    SciTech Connect

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

    2009-06-15

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

  20. The phase analysis of coal combustion ashes

    Microsoft Academic Search

    A. P. Iribarne; J. V. Iribarne; E. J. Anthony; J. Blondin

    1994-01-01

    The phase composition of coal combustion ashes is important in regard to their potential uses. Here it is shown that a combination of phase separation techniques with X-ray diffraction, thermogravimetric analysis, and conventional chemical analysis, including elemental analysis and wet chemistry, can be used to obtain a fairly complete phase composition. The application of these techniques is illustrated with an

  1. Internal combustion engine. [piston-type engine combined with gas turbine

    Microsoft Academic Search

    Spath

    1975-01-01

    The design is given of an internal combustion engine (usual piston type) combined with a gas turbine which helps power the output drive shaft. The exhaust gases and the crankcase vapors of the piston engine, which contain combustible unburned hydrocarbons, are collected, compressed, and supplied to the turbine as fuel. The proportion of the available energy extracted from the basic

  2. Chemistry 675 Advanced Organic Chemistry

    E-print Network

    Doyle, Robert

    Fall 2014 Chemistry 675 Advanced Organic Chemistry MWF 10:35-11:30 AM 200 LSB Professor John D Description: CHE675 is a graduate-level organic chemistry course focused on physical organic chemistry, which in my office (CST 4-006) or my mailbox in the chemistry office (CST 1-014). Late problem sets will have

  3. Sorption of polycyclic aromatic hydrocarbons to minerals and low-organic-carbon aquifer sediments 

    E-print Network

    Grimaldi, Gabriel Orlando

    1999-01-01

    the influence of exchangeable cations and mineral surface chemistry on the sorption of polycyclic aromatic hydrocarbons (PAH) to minerals, including kaolinite, quartz, hematite, vermiculite, and a low-organic-carbon aquifer sediment. Pyrene was selected...

  4. Are Aromatic Hydrocarbons Generated from the Atmospheric Oxidation of Biogenic Hydrocarbons?

    NASA Astrophysics Data System (ADS)

    Gratien, A.; Johnson, S. N.; Ezell, M. J.; Wingen, L. M.; Perraud, V. M.; Dawson, M.; Bennett, R.; Finlayson-Pitts, B. J.

    2010-12-01

    Biogenic volatile organic compounds (BVOCs) are estimated to account for approximately 90% of total hydrocarbon emissions. When released into the troposphere, these BVOC undergo chemical oxidation, e.g. by hydroxyl radicals (OH) and ozone (O3) during daytime, and by nitrate radicals (NO3) and ozone at night. Anthropogenic sources release into the troposphere a wide range of volatile organic compounds (VOC), also including aromatic hydrocarbons. Their major source is believed to be the combustion and the evaporation of the fuels. One question is while there are others sources of aromatics in air. For example, an aromatic hydrocarbon, p-cymene, was recently reported in air above a forest canopy that had significant emissions of terpenes (isoprene, ?-pinene, ?-pinene, limonene…), and its concentration increased as a function of altitude, suggesting its possible formation in the atmosphere. The goal of the present study was to determine whether p-cymene can be generated from reactions of biogenic hydrocarbons in air. The oxidations of isoprene, ?-pinene, ?-pinene and limonene by O3, NO3 and OH have been studied at 1 atm air under dry conditions, at high relative humidity (70% RH), or with deliquesced sodium bisulfate (acid source) on the walls of a Teflon reaction chamber. A search for the generation of aromatic hydrocarbons products was made using GC-MS and PTR-MS. p-cymene has been observed from the reactions of ?-pinene and limonene. Possible mechanisms will be presented and the atmospheric implications discussed.

  5. 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.

  6. 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.

  7. 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.

  8. Propellant Chemistry for CFD Applications

    NASA Technical Reports Server (NTRS)

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

    1996-01-01

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

  9. Numerical Simulations of Self-Ignition of Hydrogen-Hydrocarbons Mixtures in a Hot Supersonic Air Flow

    Microsoft Academic Search

    Erwin George; Philippe Magre; Vladimir Sabel' nikov

    1 Abstract The present paper, carried out in the framework of the French Promethee Program, deals with the comparative study of the self-ignition of hydrogen and hydrocarbons\\/hydrogen mixtures jets in co-stream vitiated Mach 2 airflow. Here, ethylene and methane are used as surrogate combustible for hydrocarbons fuels. Experimental studies have been performed to obtain a large database of hydrocarbons\\/hydrogen mixtures

  10. Behavior of sulfur and chlorine in coal during combustion and boiler corrosion. Final technical report, 1 September, 1992--31 August, 1993

    Microsoft Academic Search

    C. L. Chou; K. C. Hackley; J. Cao; D. M. Moore; J. Xu; R. R. Ruch; W. P. Pan; M. L. Upchurch; H. B. Cao

    1993-01-01

    The goals of this project are to investigate the behavior of sulfur and chlorine during pyrolysis and combustion of Illinois coals, the chemistry and mineralogy of boiler deposits, the effects of combustion gases on boiler materials, and remedial measures to reduce the sulfur and chlorine compounds in combustion gases. Replicate determinations of chlorine and sulfur evolution during coal pyrolysis-gas combustion

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

    SciTech Connect

    Lavoie, G A

    1980-12-01

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

  12. for Undergraduate CHEMISTRY MAJORS

    E-print Network

    Stuart, Steven J.

    and Petroleum Chemistry, Organic Chemistry, Physical Chemistry, Polymer Chemistry, Pulp and Paper Chemistry, RHANDBOOK for Undergraduate CHEMISTRY MAJORS DEPARTMENT OF CHEMISTRY Fall 2010 #12;#12;TABLE OF CONTENTS A Career in Chemistry - What It Means ___________________________________________ 4 What do

  13. 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.

  14. Plant hydrocarbon recovery

    Microsoft Academic Search

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

    1982-01-01

    A process for production and recovery of hydrocarbons from whole plants in a form suitable for use as chemical feedstocks or as hydrocarbon energy sources comprises: pulverizing by grinding or chopping the plants to a suitable particle size, drying and preheating the particles in a reducing atmosphere under positive pressure, passing the particles through a thermal conversion zone containing a

  15. Combustion system for internal combustion engines

    Microsoft Academic Search

    I. Matsuno; H. Yamazoe

    1981-01-01

    A combustion system for internal combustion engines having an exhaust gas recirculating system which is operable by a lean airfuel mixture without aggravation of the combustion. The piston of the engine has a sub-piston projecting on the top thereof and the cylinder head is formed with a recess into which the sub-piston is insertable at a position near the top

  16. Combustion device of an internal combustion engine

    Microsoft Academic Search

    Okuma

    1986-01-01

    A combustion device of an internal combustion engine is described which consists of: a cylinder, a cylinder head closing one end of the cylinder; and a piston reciprocable in the cylinder; the head and piston having stepped portions adapted to interfit as the piston approaches the head so as to define a compression chamber, and a combustion chamber of greater

  17. Reciprocating internal combustion engine with continuous combustion

    Microsoft Academic Search

    Vogelsang

    1976-01-01

    The design of a reciprocating internal combustion engine having a continuous combustion is given. The combustion chamber must be connected with the cylinders of the engine by suitable transfer ports for supplying the gaseous medium to the cylinders and for discharging the burned mixture. In order to obtain a high efficiency, the transfer ports should be as short as possible.

  18. Recovering hydrocarbons from hydrocarbon-containing vapors

    DOEpatents

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

    1980-09-30

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

  19. Numerical simulations of shock-induced mixing and combustion

    SciTech Connect

    Bell, John B.; Day, Marc S.; Kuhl, A.

    2003-07-27

    In this paper we use numerical simulation to investigate shock-induced ignition and combustion of a hydrocarbon gas. The focus of this paper is on quantifying the effect of fidelity in the chemical kinetics on the overall solution. We model the system using the compressible Navier Stokes equations for a reacting mixture. These equations express conservation of species mass, momentum, total energy.

  20. Nonequilibrium boundary layer of potassium-seeded combustion products

    Microsoft Academic Search

    M. S. Benilov; P. A. Pozdeev; B. V. Rogov; V. A. Sinelshchikov

    1994-01-01

    Results are reported from numerical modeling and experimental study of a chemically reacting boundary layer, formed on a body inserted into a stream of potassium-seeded combustion products of gaseous hydrocarbon fuels. The numerical model developed in previous work is modified to incorporate current data on potassium chemical kinetics. The temperature and potassium atom number density profiles are measured across the

  1. Emission of volatile organic compounds from coal combustion

    Microsoft Academic Search

    H. K Chagger; J. M Jones; M Pourkashanian; A Williams; A Owen; G Fynes

    1999-01-01

    The combustion of coal leads to the formation of small but significant amounts of volatile organic compounds (VOCs), toxic organic micropollutants as polynuclear aromatic hydrocarbons (PAHs), as well as CH4. The measurements of such trace emissions is difficult and expensive, consequently it is useful to examine these from a kinetic modelling and thermodynamic point of view in order to make

  2. The effects of aluminum particle size on aluminized propellant combustion

    Microsoft Academic Search

    Allan Dokhan

    2002-01-01

    The goal of this thesis was to: test current ideas regarding the complex behavior of aluminized propellant combustion, extend understanding to conditions not previously clarified, and demonstrate the applicability of the results in the tailoring of propellant formulations to specific applicational needs. The study focused on ammonium perchlorate (AP), hydrocarbon binder, aluminum (Al) formulations. All formulations had 11% polybutadiene (PBAN)

  3. Numerical simulations of shock-induced mixing and combustion

    Microsoft Academic Search

    John B. Bell; Marc S. Day; A. Kuhl

    2003-01-01

    In this paper we use numerical simulation to investigate shock-induced ignition and combustion of a hydrocarbon gas. The focus of this paper is on quantifying the effect of fidelity in the chemical kinetics on the overall solution. We model the system using the compressible Navier Stokes equations for a reacting mixture. These equations express conservation of species mass, momentum, total

  4. 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.

  5. 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.

  6. Combustion of coffee husks

    Microsoft Academic Search

    M Saenger; E.-U Hartge; J Werther; T Ogada; Z Siagi

    2001-01-01

    Combustion mechanisms of two types of coffee husks have been studied using single particle combustion techniques as well as combustion in a pilot-scale fluidised bed facility (FBC), 150 mm in diameter and 9 m high. Through measurements of weight-loss and particle temperatures, the processes of drying, devolatilisation and combustion of coffee husks were studied. Axial temperature profiles in the FBC

  7. Internal combustion engine

    Microsoft Academic Search

    Lowther

    1980-01-01

    An internal combustion engine method and apparatus are described wherein most or all of the air compression required for combustion is done outside of the internal combustion engine and out of heat exchange contact with the combustion chamber. The engine includes direct regeneration of exhaust heat and the compressor includes means for varying the compression ratio thereof in response to

  8. Rotary internal combustion engine

    SciTech Connect

    Le, L.K.

    1990-11-20

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

  9. Combustion fundamentals and applications

    SciTech Connect

    Not Available

    1987-01-01

    These proceedings collect papers given at a meeting on combustion kinetics. Topics include: Effects of piston bowl geometry on combustion characteristics of diesel engines, bipropellant combustion, coal char reactivity, sulfur and nitrogen-oxide emissions, mineral matter in coal and wood, methane, liquid fuels, and carbon particle combustion.

  10. Modeling complex chemical effects in turbulent nonpremixed combustion

    NASA Technical Reports Server (NTRS)

    Smith, Nigel S. A.

    1995-01-01

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

  11. CHEMISTRY 521 GRADUATE PHYSICAL CHEMISTRY

    E-print Network

    Findley, Gary L.

    CHEMISTRY 521 GRADUATE PHYSICAL CHEMISTRY Fall Term, 1999 INSTRUCTOR INFORMATION Instructor: Dr@alpha.nlu.edu URL: http://www.nlu.edu/chemistry/findley/findley.html COURSE Content: A review of selected topics in Physical Chemistry. Goals/ Objectives: Introduction to quantum mechanics. Topics covered include

  12. CHEMISTRY 320 PHYSICAL CHEMISTRY I

    E-print Network

    Findley, Gary L.

    CHEMISTRY 320 PHYSICAL CHEMISTRY I Fall 2009 9:00 am - 10:30 am, MW CNSB 211 INSTRUCTOR INFORMATION of the physical principles of chemistry. Goals/ Objectives: CHEM 320 presents chemical principles from" or better in CHEM 108; PHYS 208; MATH 132. Text: Physical Chemistry, P. Atkins and J. de Paula, 8th ed. (W

  13. Environmental Chemistry II (Atmospheric Chemistry)

    E-print Network

    Dibble, Theodore

    SYLLABUS FOR Environmental Chemistry II (Atmospheric Chemistry) FCH 511 Fall 2013 Theodore S. Dibble Professor of Chemistry 421 Jahn Laboratory Syracuse, NY 13210 Phone: (315) 470-6596 Fax: (315) 470 Seinfeld, J. H. and Pandis, S. N. Atmospheric Chemistry and Physics: From Air Pollution to Climate Change

  14. CHEMISTRY 322 PHYSICAL CHEMISTRY II

    E-print Network

    Findley, Gary L.

    CHEMISTRY 322 PHYSICAL CHEMISTRY II Spring 2010 10:00 am - 11:30 am, MW CNSB 211 INSTRUCTOR interpretations of the physical principles of chemistry. Goals/ Objectives: CHEM 322, which is a continuation of CHEM 320, focuses of the quantum theoretical foundations of modern chemistry. Topics covered include

  15. Chemistry 419 PHYSICAL CHEMISTRY LABORATORY

    E-print Network

    Richmond, Geraldine L.

    Chemistry 419 PHYSICAL CHEMISTRY LABORATORY Spring, 2008 Lecture/Discussion 1:00 Tuesday, Brittney Young Required Text: Chemistry 419 - Physical Chemistry Laboratory - University Bookstore. Students are required to perform seven laboratories from among those offered this quarter. The first week

  16. Coal combustion science

    SciTech Connect

    Hardesty, D.R. (ed.); 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.

  17. 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.

  18. Green Chemistry

    NSDL National Science Digital Library

    2002-01-01

    This special feature page from the American Chemical Society (ACS) showcases the up-and-coming field of "green chemistry," that is, the development of chemical products and processes that eliminate or reduce the use and generation of hazardous substances. A list of principles behind green chemistry, a searchable bibliography of green chemistry references, green chemistry links (including conferences), and an online preview of the ACS-published book Real-World Cases in Green Chemistry are all found at the site. Five video clips on green chemistry from the standpoint of academia, industry, and small business are also featured (Windows Media Player). This page comes from ACS's Green Chemistry Project, a three-year educational project to develop and disseminate green chemistry educational materials for graduate and undergraduate chemistry students. Check back often for updates.

  19. Behavior of sulfur and chlorine in coal during combustion and boiler corrosion. Technical report, December 1, 1992February 28, 1993

    Microsoft Academic Search

    C. L. Chou; K. C. Hackley; J. Cao; R. R. Frost; R. R. Ruch; W. P. Pan; M. L. Upchurch; H. B. Cao; D. Shao; H. H. Ho

    1993-01-01

    The goals of this project is to investigate the behavior of sulfur and chlorine during pyrolysis and combustion of Illinois coals, the chemistry of boiler deposits and the process of ash formation, and remedial measures to reduce the sulfur and chlorine compounds in combustion gases. The chemistry of boiler deposits provides information about the behavior of sulfur, chlorine, and ash

  20. A review of the neurotoxicity risk of selected hydrocarbon fuels.

    PubMed

    Ritchie, G D; Still, K R; Alexander, W K; Nordholm, A F; Wilson, C L; Rossi, J; Mattie, D R

    2001-01-01

    Over 1.3 million civilian and military personnel are occupationally exposed to hydrocarbon fuels, emphasizing gasoline, jet fuel, diesel fuel, or kerosene. These exposures may occur acutely or chronically to raw fuel, vapor, aerosol, or fuel combustion exhaust by dermal, respiratory inhalation, or oral ingestion routes, and commonly occur concurrently with exposure to other chemicals and stressors. Hydrocarbon fuels are complex mixtures of 150-260+ aliphatic and aromatic hydrocarbon compounds containing varying concentrations of potential neurotoxicants including benzene, n-hexane, toluene, xylenes, naphthalene, and certain n-C9-C12 fractions (n-propylbenzene, trimethylbenzene isomers). Due to their natural petroleum base, the chemical composition of different hydrocarbon fuels is not defined, and the fuels are classified according to broad performance criteria such as flash and boiling points, complicating toxicological comparisons. While hydrocarbon fuel exposures occur typically at concentrations below permissible exposure limits for their constituent chemicals, it is unknown whether additive or synergistic interactions may result in unpredicted neurotoxicity. The inclusion of up to six performance additives in existing fuel formulations presents additional neurotoxicity challenge. Additionally, exposures to hydrocarbon fuels, typically with minimal respiratory or dermal protection, range from weekly fueling of personal automobiles to waist-deep immersion of personnel in raw fuel during maintenance of aircraft fuel tanks. Occupational exposures may occur on a near daily basis for from several months to over 20 yr. A number of published studies have reported acute or persisting neurotoxic effects from acute, subchronic, or chronic exposure of humans or animals to hydrocarbon fuels, or to certain constituent chemicals of these fuels. This review summarizes human and animal studies of hydrocarbon fuel-induced neurotoxicity and neurobehavioral consequences. It is hoped that this review will support ongoing attempts to review and possibly revise exposure standards for hydrocarbon fuels. PMID:11503417

  1. 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.

  2. 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

  3. Hydrocarbon recovery from diatomite

    SciTech Connect

    Scinta, J.

    1984-05-15

    Supercritical extraction of diatomaceous earth results in a much more significant improvement in hydrocarbon recovery over Fischer retorting than achievable with tar sands. Process and apparatus for supercritical extraction of diatomaceous earth are disclosed.

  4. Inert Gas Dilution Effect on the Flammability Limits of Hydrocarbon Mixtures

    E-print Network

    Zhao, Fuman

    2012-02-14

    .3 Numerical data analysis?????...????..??????.... 81 5.3.1 Hydrocarbon mixture LFL?????...???????..81 5.3.2 Hydrocarbon mixture UFL?????...???????..95 5.4 Fuel mixture MIC ???????????...?..?????..111 ix CHAPTER... Page 5.7 MICs of ethylene and propylene mixtures from experimental measurement and calculation using Eq. (5-10)???????????...113 6.1 Pure fuel (CaHb) combustion productions at LFL with additional nitrogen???????????????????????????119 6...

  5. 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.

  6. 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.

  7. ENVIRONMENTAL CHEMISTRY

    EPA Science Inventory

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

  8. 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)

  9. 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)

  10. Solution Combustion Synthesis Impregnated Layer Combustion Synthesis is a Novel

    E-print Network

    Mukasyan, Alexander

    Solution Combustion Synthesis Impregnated Layer Combustion Synthesis is a Novel Methodology Engineering University of Notre Dame University of Notre Dame #12;Outline: Overview of combustion synthesis Reaction system Combustion front analaysis Theoretical model results Conclusions Acknowledgements #12

  11. Combustion 2000

    SciTech Connect

    None

    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

  12. Forensic Chemistry

    Microsoft Academic Search

    Suzanne Bell

    2009-01-01

    Forensic chemistry is unique among chemical sciences in that its research, practice, and presentation must meet the needs of both the scientific and the legal communities. As such, forensic chemistry research is applied and derivative by nature and design, and it emphasizes metrology (the science of measurement) and validation. Forensic chemistry has moved away from its analytical roots and is

  13. Biochemistry chemistry &

    E-print Network

    Morgan, Stephen L.

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

  14. Chemistry Links

    NSDL National Science Digital Library

    Charnine, Michael

    This compiled site contains titles and links to over 40 sites, journal articles, course and tutorial materials, simulations, batteries, and other resources. Definitions of chemistry, theoretical chemistry, organic, physical and nuclear chemistry are integrated with the links to outside materials. A number of useful keywords are included to help users navigate the materials.

  15. Combustion 2000

    SciTech Connect

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

    2001-06-30

    This report is a presentation of work carried out on Phase II of the HIPPS program under DOE contract DE-AC22-95PC95144 from June 1995 to March 2001. The objective of this report is to emphasize the results and achievements of the program and not to archive every detail of the past six years of effort. These details are already available in the twenty-two quarterly reports previously submitted to DOE and in the final report from Phase I. The report is divided into three major foci, indicative of the three operational groupings of the program as it evolved, was restructured, or overtaken by events. In each of these areas, the results exceeded DOE goals and expectations. HIPPS Systems and Cycles (including thermodynamic cycles, power cycle alternatives, baseline plant costs and new opportunities) HITAF Components and Designs (including design of heat exchangers, materials, ash management and combustor design) Testing Program for Radiative and Convective Air Heaters (including the design and construction of the test furnace and the results of the tests) There are several topics that were part of the original program but whose importance was diminished when the contract was significantly modified. The elimination of the subsystem testing and the Phase III demonstration lessened the relevance of subtasks related to these efforts. For example, the cross flow mixing study, the CFD modeling of the convective air heater and the power island analysis are important to a commercial plant design but not to the R&D product contained in this report. These topics are of course, discussed in the quarterly reports under this contract. The DOE goal for the High Performance Power Plant System ( HIPPS ) is high thermodynamic efficiency and significantly reduced emissions. Specifically, the goal is a 300 MWe plant with > 47% (HHV) overall efficiency and {le} 0.1 NSPS emissions. This plant must fire at least 65% coal with the balance being made up by a premium fuel such as natural gas. To achieve these objectives requires a change from complete reliance of coal-fired systems on steam turbines (Rankine cycles) and moving forward to a combined cycle utilizing gas turbines (Brayton cycles) which offer the possibility of significantly greater efficiency. This is because gas turbine cycles operate at temperatures well beyond current steam cycles, allowing the working fluid (air) temperature to more closely approach that of the major energy source, the combustion of coal. In fact, a good figure of merit for a HIPPS design is just how much of the enthalpy from coal combustion is used by the gas turbine. The efficiency of a power cycle varies directly with the temperature of the working fluid and for contemporary gas turbines the optimal turbine inlet temperature is in the range of 2300-2500 F (1260-1371 C). These temperatures are beyond the working range of currently available alloys and are also in the range of the ash fusion temperature of most coals. These two sets of physical properties combine to produce the major engineering challenges for a HIPPS design. The UTRC team developed a design hierarchy to impose more rigor in our approach. Once the size of the plant had been determined by the choice of gas turbine and the matching steam turbine, the design process of the High Temperature Advanced Furnace (HITAF) moved ineluctably to a down-fired, slagging configuration. This design was based on two air heaters: one a high temperature slagging Radiative Air Heater (RAH) and a lower temperature, dry ash Convective Air Heater (CAH). The specific details of the air heaters are arrived at by an iterative sequence in the following order:-Starting from the overall Cycle requirements which set the limits for the combustion and heat transfer analysis-The available enthalpy determined the range of materials, ceramics or alloys, which could tolerate the temperatures-Structural Analysis of the designs proved to be the major limitation-Finally the commercialization issues of fabrication and reliability, availability and maintenance. The program that has s

  16. Detailed thermokinetic modelling of alkane autoignition as a tool for the optimization of performance of internal combustion engines

    Microsoft Academic Search

    T. Faravelli; P. Gaffuri; E. Ranzi; J. F. Griffiths

    1998-01-01

    The purpose of this paper is to show how detailed chemical models of combustion processes may be applied to the optimal design of internal combustion engines. Despite the complexity of the low-, intermediate- and high-temperature oxidation mechanisms of hydrocarbon fuels, there is a sufficiently quantitative understanding of the elementary reaction steps involved, and satisfactory kinetic schemes are available, especially for

  17. 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.

  18. 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. PMID:8838466

  19. 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. PMID:25178472

  20. PDF Modeling of Turbulent Lean Premixed Combustion

    SciTech Connect

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

    2007-10-01

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

  1. Combustion chamber for an internal-combustion engine

    Microsoft Academic Search

    Ishida

    1987-01-01

    A combustion chamber for an internal-combustion engine is described comprising: a main combustion chamber defined by a first recess in the top surface of the crown of a piston; an auxiliary combustion chamber defined by a second recess in the top surface of the crown of the piston beside the main combustion chamber, the volume of the auxiliary combustion chamber

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

    SciTech Connect

    Olsen, K.B.; Wright, C.W.; Veverka, C. [Pacific Northwest Lab., Richland, WA (United States); Ball, J.C. [Ford Motor Co., Dearborn, MI (United States). Scientific Research Lab.; Stevens, R. [US Environmental Protection Agency (United States). Atmospheric Research and Exposure Assessment Lab.

    1995-03-01

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

  3. Organofluorine chemistry: A Janus cyclohexane ring

    NASA Astrophysics Data System (ADS)

    Santschi, Nico; Gilmour, Ryan

    2015-06-01

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

  4. Simulation of a hydrocarbon fueled scramjet exhaust

    NASA Technical Reports Server (NTRS)

    Leng, J.

    1982-01-01

    Exhaust nozzle flow fields for a fully integrated, hydrocarbon burning scramjet were calculated for flight conditions of M (undisturbed free stream) = 4 at 6.1 km altitude and M (undisturbed free stream) = 6 at 30.5 km altitude. Equilibrium flow, frozen flow, and finite rate chemistry effects are considered. All flow fields were calculated by method of characteristics. Finite rate chemistry results were evaluated by a one dimensional code (Bittker) using streamtube area distributions extracted from the equilibrium flow field, and compared to very slow artificial rate cases for the same streamtube area distribution. Several candidate substitute gas mixtures, designed to simulate the gas dynamics of the real engine exhaust flow, were examined. Two mixtures are found to give excellent simulations of the specified exhaust flow fields when evaluated by the same method of characteristics computer code.

  5. Computational Chemistry for Chemistry Educators

    NSDL National Science Digital Library

    Shodor Computational Science Institute

    This is a 15-session course on the technologies, techniques, and tools of computational chemistry. By using the same computational tools as research computational chemists, educators will have the opportunity to study chemistry in a manner very different than traditional teaching and education in chemistry.

  6. Combustion 2000

    SciTech Connect

    None

    1999-12-31

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

  7. Maintain Combustion Systems 

    E-print Network

    Fletcher, R. J.

    1979-01-01

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

  8. 148 Chemistry/Chinese Chemistry 347 (3)--Advanced Organic Chemistry

    E-print Network

    Dresden, Gregory

    ,organometalliccatalyticprocesses,andsolid statechemistry.Uffelman. Spring 2008 and alternate years Chemistry 365 (3)--Advanced Physical Chemistry148 Chemistry/Chinese Chemistry 347 (3)--Advanced Organic Chemistry Prerequisite: Chemistry 242,syntheticmethodology,mod- ernsyntheticreactions,protectinggroups,naturalprod- uctssynthesis,andcombinatorialchemistry.France. Spring Chemistry

  9. Formation of Aromatics in Combustion Systems

    Microsoft Academic Search

    C. Vovelle; J. L. Delfau

    \\u000a Improving the knowledge of the chemistry responsible for the formation and consumption of aromatic compounds in combustion\\u000a systems is an area of interest from both a fundamental and a practical standpoint. The former is essentially concerned with\\u000a chemical reactions forming species that grow very rapidly to thousands of carbon atoms. This occurs as soon as the fuel is\\u000a in excess

  10. Alcohol assisted hydrocarbon fuels - A comparison of exhaust emissions and fuel consumption using steady-state and dynamic engine test facilities

    Microsoft Academic Search

    D. J. Bushnell; J. M. Simonsen

    1976-01-01

    This paper presents experimental data which exemplifies the differences in emission level testing on internal combustion engines when dynamic engine tests are used instead of steady-state engine tests. A comparison of the two test methods is made using hydrocarbon fuels with varying amounts of methanol. Emissions measured include the nitric oxides, unburned hydrocarbons, and carbon monoxide. Emission levels and fuel

  11. Internal combustion engine with dual combustion chambers

    Microsoft Academic Search

    Simay

    1987-01-01

    This patent describes a spark-ignition. The overhead valve type internal combustion engine comprises: a cylinder closed at the top by a semi-spherical cylinder head; a piston reciprocating within the cylinder with the piston; cylinder and cylinder head defining at least one combustion chamber; and wherein the cylinder head includes an intake valve aperture, an exhaust valve aperture, and a spark

  12. Trace Chemistry

    NASA Technical Reports Server (NTRS)

    Radhakrishnan, Krishnan; Whitefield, Philip

    1999-01-01

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

  13. Internal combustion engine

    Microsoft Academic Search

    G. Perrin; H. Bergmann

    1984-01-01

    An externally auto-ignited four-stroke internal combustion engine which includes a combustion chamber disposed in an upper surface of a piston such that, in an upper dead-center position of the piston, the combustion chamber receives almost all of the fuel-air mixture. The combustion chamber includes a planar bottom portion and has a cross-sectional shape of a truncated cone expanding in a

  14. Ethylene oxidation chemistry in a well-stirred reactor

    SciTech Connect

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

    1994-09-01

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

  15. Thermogravimetric-mass spectrometric analysis on combustion of lignocellulosic biomass.

    PubMed

    López-González, D; Fernandez-Lopez, M; Valverde, J L; Sanchez-Silva, L

    2013-09-01

    Combustion characteristics of biomass main components and three lignocellulosic biomass (fir wood, eucalyptus wood and pine bark) were investigated by thermogravimetric analysis coupled with mass spectrometry. The combustion of biomass was divided into two main steps, devolatilization and char oxidation stage. Heating rate effect was also studied. Generally, the higher the heating rate, the higher the decomposition temperature. Furthermore, the weight loss rate decreased due to particle temperature gradients. Combustion kinetics were studied. Models based on reaction order (Oi), nucleation (Ni) and diffusion (Di) achieved the best fitting to the experimental data. Cellulose oxidation presented the highest activation energies. CO, CO2 and H2O were the main components evolved from combustion. Additionally, light hydrocarbons (CH4 and C2H5) were also present. Finally, nitrogen compounds were in a higher proportion than sulfur compounds being released as primary amines and NOx. PMID:23835261

  16. 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.

  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. Internal combustion engine apparatus

    SciTech Connect

    Kondo, T.; Inaga, H.

    1986-12-23

    An internal combustion engine apparatus is described comprising, in combination, an internal combustion engine having an ignition system capable of step advance when a predetermined engine speed is reached between low and high ranges of engine speed; and a centrifugal clutch connected to an output shaft of the internal combustion engine, the centrifugal clutch being engaged and disengaged at substantially the predetermined engine speed.

  19. BOOK REVIEW: Turbulent Combustion

    Microsoft Academic Search

    Norbert Peters

    2001-01-01

    The book Turbulent Combustion by Norbert Peters is a concise monograph on single-phase gaseous low Mach number turbulent combustion. It is compiled from the author's review papers on this topic plus some additional material. Norbert Peters characterizes turbulent combustion both by the way fuel and air are mixed and by the ratio of turbulent and chemical time scales. This approach

  20. Internal combustion engine

    Microsoft Academic Search

    Amery

    1974-01-01

    A spark ignition internal combustion engine is described that uses a double-headed cylinder to achieve more complete combustion, and hence less unburned exhaust emissions, than existing internal combustion engine designs. The engine is of the piston type, with the piston mechanically arranged for both oscillatory and related vertically reciprocating motion. The cylinder is double-headed, and the heads are oriented with

  1. Internal combustion engine

    Microsoft Academic Search

    Thomas

    1976-01-01

    An internal combustion engine is described which utilizes a combustion cylinder formed in part of material which can withstand high temperatures in conjunction with a displacement or power piston having a ringless section capable of withstanding high temperatures and being backed up by a relatively low temperature lubricated ringed piston section. Means to inject fuel and water into the combustion

  2. Combustion synthesis and nanomaterials

    Microsoft Academic Search

    Singanahally T. Aruna; Alexander S. Mukasyan

    2008-01-01

    The recent developments and trends in combustion science towards the synthesis of nanomaterials are discussed. Different modifications made to conventional combustion approaches for preparation of nanomaterials are critically analyzed. Special attention is paid to various applications of combustion synthesized nanosized products.

  3. 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.

  4. Superconductivity in aromatic hydrocarbons

    NASA Astrophysics Data System (ADS)

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

    2015-07-01

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

  5. 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.

  6. Corrosion performance of materials for advanced combustion systems

    SciTech Connect

    Natesan, K. [Argonne National Lab., IL (United States); Freeman, M.; Mathur, M. [Pittsburgh Energy Technology Center, PA (United States)

    1995-05-01

    Conceptual designs of advanced combustion systems that utilize coal as a feedstock require high-temperature furnaces and heat transfer surfaces capable of operating at much higher temperatures than those in current coal-fired power plants. The combination of elevated temperatures and hostile combustion environments requires development and application of advanced ceramic materials for heat exchangers in these designs. This paper characterizes the chemistry of coal-fired combustion environments over the wide temperature range of interest in these systems and discusses some of the experimental results for several materials obtained from laboratory tests and from exposures in a pilot-scale facility.

  7. Combustion Enhancement Using a Silent Discharge Plasma Reactor

    NASA Astrophysics Data System (ADS)

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

    2003-10-01

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

  8. Assessment of polycyclic aromatic hydrocarbons (PAHs) pollution in soil of suburban areas in Tianjin, China.

    PubMed

    Lv, Jungang; Shi, Rongguang; Cai, Yanming; Liu, Yong

    2010-07-01

    Soil contamination with polycyclic aromatic hydrocarbons is an increasing problem and has aroused more and more concern in many countries, including China. In this study, representative soil samples (n = 87) of suburban areas in Tianjin (Xiqing, Dongli, Jinnan, Beichen) were evaluated for 16 polycyclic aromatic hydrocarbons. Surface soil samples were air-dried and sieved. Microwave assisted extraction was used for polycyclic aromatic hydrocarbons preparation prior to analysis with gas chromatography-mass spectrometry. The total concentrations of tested polycyclic aromatic hydrocarbons in Xiqing, Dongli, Jinnan, Beichen ranged in 58.5-2,748.3, 36.1-6,734.7, 58.5-4,502.5, 29.7-852.5 ng/g and the averages of total concentration of polycyclic aromatic hydrocarbons were 600.5, 933.6, 640.8, 257.3 ng/g, respectively. Spatial variation of polycyclic aromatic hydrocarbons in soil was illustrated; Pollution status and comparison to other cities were also investigated. Serious polycyclic aromatic hydrocarbons soil pollution was found in Dongli district, on the contrary, Bap in most sites in Beichen did not exceed relative standards and most sites in Beichen should be classified as non-contaminated soil. Principal component analysis was used to identify the possible sources of different districts. It turned out that coal combustion still was the most important sources in three districts except Beichen. Coking, traffic, cooking, biomass combustion also accounted for polycyclic aromatic hydrocarbons pollution to certain extent in different districts. These data can be further used to assess the health risk associated with soils polluted with polycyclic aromatic hydrocarbons and help local government find proper way to reduce polycyclic aromatic hydrocarbons pollution in soils. PMID:20411238

  9. Quantitative Hydrocarbon Surface Analysis

    NASA Technical Reports Server (NTRS)

    Douglas, Vonnie M.

    2000-01-01

    The elimination of ozone depleting substances, such as carbon tetrachloride, has resulted in the use of new analytical techniques for cleanliness verification and contamination sampling. The last remaining application at Rocketdyne which required a replacement technique was the quantitative analysis of hydrocarbons by infrared spectrometry. This application, which previously utilized carbon tetrachloride, was successfully modified using the SOC-400, a compact portable FTIR manufactured by Surface Optics Corporation. This instrument can quantitatively measure and identify hydrocarbons from solvent flush of hardware as well as directly analyze the surface of metallic components without the use of ozone depleting chemicals. Several sampling accessories are utilized to perform analysis for various applications.

  10. Polycyclic Aromatic Hydrocarbons

    NSDL National Science Digital Library

    The featured molecules for the month of February are a number of polycyclic aromatic hydrocarbons (PAHs) discussed in the article "Fluorescence, Absorption, and Excitation Spectra of Polycyclic Aromatic Hydrocarbons as a Tool for Quantitative Analysis". PAHs are ubiquitous in air, soils, and water as a result of both direct and indirect emissions. PAHs are discharged into environments as byproducts of the combusion of fossil fuels used for transportation and generation of electricity. Other sources of PAH emissions include industrial processes, biomass burning, waste incineration, oil spills, and cigarette smoke.

  11. Hydrocarbon Impacts Database

    NSDL National Science Digital Library

    The Hydrocarbon Impacts (HI) database is a subset of the University of Calgary's Arctic Institute of North America's Arctic Science and Technology Information System database. More than 5,100 records describe "publications and research projects about the environmental impacts, socio-economic effects and regulation of hydrocarbon exploration, development and transportation in northern Canada." Users can search by record type, keyword, subject code, geographic code, author, and year, as well as an advanced search feature to locate the information. Well designed and easy to use, the database provides those interested in this narrow subject field a helpful resource.

  12. Hydrocarbon fuel detergent

    SciTech Connect

    Meyer, G.R.; Lyons, W.R.

    1990-01-23

    This patent describes a hydrocarbon fuel composition comprising: a hydrocarbon fuel; and a detergent amount of a detergent comprising an alkenylsuccinimide prepared by reacting an alkenylsuccinic acid or anhydride with a mixture of amines, wherein at least 90 weight percent of the alkenyl substituent is derived from an olefin having a carbon chain of from 10 to 30 carbons or mixtures thereof, and wherein the alkenylsuccinic acid or anhydride is reacted with the mixture of amines at a mole ratio of 0.8 to 1.5 moles of the amines per mole of the alkenylsuccinic acid or anhydride.

  13. 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.

  14. HYDROCARBON POLLUTANTS FROM STATIONARY SOURCES

    EPA Science Inventory

    The report gives results of a study of hydrocarbon pollutants from stationary sources. Early in the study, readily available information was assembled on stationary sources of hydrocarbon emissions and effluents. Information was also obtained on process descriptions, operating pa...

  15. Combustion and core noise

    NASA Astrophysics Data System (ADS)

    Mahan, J. Robert; Karchmer, Allen

    1991-08-01

    Two types of aircraft power plant are considered: the gas turbine and the reciprocating engine. The engine types considered are: the reciprocating engine, the turbojet engine, the turboprop engine, and the turbofan engine. Combustion noise in gas turbine engines is discussed, and reciprocating-engine combustion noise is also briefly described. The following subject areas are covered: configuration variables, operational variables, characteristics of combustion and core noise, sources of combustion noise, combustion noise theory and comparison with experiment, available prediction methods, diagnostic techniques, measurement techniques, data interpretation, and example applications.

  16. Methanol conversion to higher hydrocarbons

    SciTech Connect

    Tabak, S.A. [Mobil Research and Development Corp., Princeton, NJ (United States). Central Research Lab.

    1994-12-31

    Several indirect options exist for producing chemicals and transportation fuels from coal, natural gas, or biomass. All involve an initial conversion step to synthesis gas (CO and H{sub 2}). Presently, there are two commercial technologies for converting syngas to liquids: Fischer-Tropsch, which yields a range of aliphatic hydrocarbons with molecular weights determined by Schulz-Flory kinetics, and methanol synthesis. Mobil`s diversity of technology for methanol conversion gives the methanol synthesis route flexibility for production of either gasoline, distillate or chemicals. Mobil`s ZSM-5 catalyst is the key in several processes for producing chemicals and transportation fuels from methanol: MTO for light olefins, MTG for gasoline, MOGD for distillates. The MTG process has been commercialized in New Zealand since 1985, producing one-third of the country`s gasoline supply, while MTO and MOGD have been developed and demonstrated at greater than 100 BPD scale. This paper will discuss recent work in understanding methanol conversion chemistry and the various options for its use.

  17. Numerical study of liquid propellants combustion for space applications

    NASA Astrophysics Data System (ADS)

    Amri, R.; Rezoug, T.

    2011-09-01

    The present study focuses on the combustion of liquid propellants used in engines for space propulsion applications (satellites and launch vehicles). The combustion of the following propellant combinations was studied: hydrogen/oxygen, hydrocarbon fuel/oxygen, hydrocarbon fuel/hydrogen peroxide, hydrazine/nitrogen tetroxide, Mono-methyl hydrazine/nitrogen tetroxide and Unsymmetrical dimethyl hydrazine/nitrogen tetroxide. The purpose of this paper is to determine the combustion flame temperature and the other thermochemical parameters (combustion products politropic parameter and molecular mass) as function of mixture ratio by mass of oxidizer to fuel (O/F). Furthermore, the vacuum specific impulse was also calculated at assumed pressure conditions of propulsion engines to show the effect of mixture ratio of the propellants on the performances. For the determination of the equilibrium composition at assumed temperature, nonlinear systems of equations were solved numerically using Lieberstein's method. Some results were presented and compared with previous research in this area, the comparison shows good agreement between the results and the difference is less than 5%. As example, three cases of bi-propellant engines were studied using the programs of combustion and frozen fluid flow approximation: Space Shuttle Main Engine (SSME), Zenit second stage engine (RD-120) and Ariane-5 upper stage engine (Aestus).

  18. Doing Chemistry

    NSDL National Science Digital Library

    Brooks, David W.

    This website includes over 150 chemistry experiments in the following areas: Atomic Structure, Bonding, Chemical Reactions, Colligative Properties, Condensed States, Electrochemistry, Equilibrium Gases, Instrumentation, Limiting Reactant and more.

  19. 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.

  20. Experimental and numerical investigation of self-excited combustion oscillations in a scaled gas turbine combustor

    Microsoft Academic Search

    G Lartigue; U Meier; C Bérat

    2004-01-01

    The Prediction and Control of Combustion Instabilities in Industrial Gas Turbines (PRECCINSTA) project, financed by the European Commission Fifth Framework, concerns prediction and control of combustion instabilities in tubular and annular gas turbine combustors. One work package within the PRECCINSTA project joins DLR, CERFACS, and Turbomeca to study turbulence chemistry interaction fundamentals as follows.Turbomeca has a low emissions industrial gas

  1. Mathematical Modeling of Carbon Dioxide Injection in the Subsurface for Improved Hydrocarbon Recovery and Sequestration

    E-print Network

    Firoozabadi, Abbas

    Mathematical Modeling of Carbon Dioxide Injection in the Subsurface for Improved Hydrocarbon Recovery and Sequestration Philip C. Myint, Laurence Rongy, Kjetil B. Haugen, Abbas Firoozabadi Department. Combustion of fossil fuels contributes to rising atmospheric carbon dioxide (CO2) levels that have been

  2. Determination of polycyclic aromatic hydrocarbons (PAHs) in commonly consumed Nigerian smoked\\/grilled fish and meat

    Microsoft Academic Search

    V. O. E. Akpambang; G. Purcaro; L. Lajide; I. A. Amoo; L. S. Conte; S. Moret

    2009-01-01

    Smoking and\\/or grilling, when carried out with traditional methods involving direct contact with wood combustion fumes, is responsible for high contamination levels with carcinogenic polycyclic aromatic hydrocarbons (PAHs). The aim of this work was to investigate the PAH content of different smoked or grilled meat and fish products commonly consumed in Nigeria. A rapid method involving microwave-assisted saponification and simultaneous

  3. Polycyclic aromatic hydrocarbon composition in soils and sediments of high altitude lakes

    Microsoft Academic Search

    Joan O Grimalt; Barend L van Drooge; Alejandra Ribes; Pilar Fernández; Peter Appleby

    2004-01-01

    Polycyclic aromatic hydrocarbons (PAH) in lake sediments and nearby soils of two European high mountain regions, Pyrenees and Tatra, have been studied. Similar mixtures of parent PAH were observed in all cases, indicating predominance of airborne transported combustion products. Nevertheless, the composition of these atmospherically long-range transported PAH was better preserved in the superficial layers of soils than sediments. This

  4. Source diagnostics of polycyclic aromatic hydrocarbons in urban road runoff, dust, rain and canopy throughfall

    Microsoft Academic Search

    Wei Zhang; Shucai Zhang; Chao Wan; Dapan Yue; Youbin Ye; Xuejun Wang

    2008-01-01

    Diagnostic ratios and multivariate analysis were utilized to apportion polycyclic aromatic hydrocarbon (PAH) sources for road runoff, road dust, rain and canopy throughfall based on samples collected in an urban area of Beijing, China. Three sampling sites representing vehicle lane, bicycle lane and branch road were selected. For road runoff and road dust, vehicular emission and coal combustion were identified

  5. Source identification of aromatic hydrocarbons in sediments using GC\\/MS

    Microsoft Academic Search

    S. Sporstoel; Nina Gjos; Rainer G. Lichtenthaler; Kay O. Gustavsen; Kjell Urdal; Froydis Oreld; J. Skel

    1983-01-01

    A method that may distinguish between input of polycyclic aromatic hydrocarbons (PAH) from petroleum and combustion sources is demonstrated on sediment samples. Selected series of aromatics (unsubstituted compounds and their Câ-Câ alkyl homologues) are quantified by computerized GC\\/MS. The alkyl homologue distribution (AHD) within each series and the sum of components in each series relative to the sum of all

  6. HYDROCARBONS IN HOUSTON AIR

    EPA Science Inventory

    Ambient air samples were collected in Houston downtown and industrial areas to determine hydrocarbon composition and concentrations. Twenty-one samples were collected on three days of sampling: September 1, 1973, and January 30 and April 2, 1974. The results of the detailed hydro...

  7. Optrode for sensing hydrocarbons

    DOEpatents

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

    1987-05-19

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

  8. Optrode for sensing hydrocarbons

    DOEpatents

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

    1988-09-13

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

  9. Optrode for sensing hydrocarbons

    DOEpatents

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

    1987-01-01

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

  10. Optrode for sensing hydrocarbons

    DOEpatents

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

    1988-01-01

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

  11. Hydrocarbons from lignocellulosic residues

    SciTech Connect

    Soltes, D.J.

    1983-01-01

    Although there has been much interest in the search for a universal solution, e.g., fermentation alcohol, to meeting liquid engine fuel needs from biomass materials, it is argued that specific fuel needs of agricultural and forestry operations may dictate a diversity of approaches. Several options for producing fuels such as ethanol, methanol, and hydrocarbons are reviewed. Recent work in biomass pyrolysis suggests that pyrolytic tars can be feedstocks for hydrocarbon fuel synthesis via catalytic hydrocracking and hydrotreating. The nature of the process and resultant products are described. Examination of the composition of parent and hydroprocessed tars from pyrolysis of pine waste and gasification of corn cobs indicates that these tars are derived mainly from the lignin components of the parent lignocellulosic materials. Hydrocarbons produced are the alkyl cyclohexanes, straight- and branched-chain hydrocarbons from C/sub 5/ to C/sub 24/, as well as minor quantities of alkyl cyclopentanes and fused-ring compounds. Variations in hydroprocessing can lead to simple phenolic contents in the treated product. An idealized process flowsheet for the production of gasoline, diesel, and activated carbon from lignocellulosics is detailed. 26 references, 4 figures, 1 table.

  12. Plant hydrocarbon recovery

    SciTech Connect

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

    1982-01-26

    A process for production and recovery of hydrocarbons from whole plants in a form suitable for use as chemical feedstocks or as hydrocarbon energy sources comprises: pulverizing by grinding or chopping the plants to a suitable particle size, drying and preheating the particles in a reducing atmosphere under positive pressure, passing the particles through a thermal conversion zone containing a reducing atmosphere and with a residence time of 1 s to approximately 30 min at approximately 200-1000 degrees, and separately recovering the condensable vapors as liquids and the noncondensable gases in a condition suitable for use as chemical feedstocks or as hydrocarbon fuels. Thus 1 g of dried Euphorbia marginata was thermally decomposed at 950/sup 0/. The respective yields of char, liquid products, CO, CO/sub 2/, CH/sub 4/, acetylene, ethylene, and total hydrocarbons were 31.1, 12.6, 13.3, 17.7, 3.9, 1.1, 4.0, and 21.6%.

  13. Particulate polycyclic aromatic hydrocarbons in the Atlantic and Indian Ocean atmospheres during the Indian Ocean Experiment and Aerosols99: Continental sources to the marine atmosphere

    Microsoft Academic Search

    Bernard S. Crimmins; Russell R. Dickerson; Bruce G. Doddridge; Joel E. Baker

    2004-01-01

    Polycyclic aromatic hydrocarbons (PAHs), mutagenic compounds predominantly derived from combustion, have been used as markers of combustion sources to the atmosphere. Marine aerosol collected aboard the NOAA R\\/V Ronald Brown during the Aerosols99 and the Indian Ocean Experiment (INDOEX) projects was analyzed for PAHs to assess the continental impact of combustion-derived particulate matter on the Atlantic and Indian Ocean atmospheres.

  14. Characterization of molecular markers in smoke from residential coal combustion in China

    Microsoft Academic Search

    Xinhui Bi; Bernd R. T. Simoneit; Guoying Sheng; Jiamo Fu

    2008-01-01

    The organic constituents and distributions of molecular markers emitted from a residential coal-stove burning honeycomb coal briquettes were determined in this study. The major organic components emitted directly in smoke particles were polycyclic aromatic hydrocarbons (PAHs), with abundant hydroxy-polycyclic aromatic hydrocarbons (OH-PAHs), i.e., thermally altered derivative compounds from coal combustion, UCM (unresolved complex mixture of branched and cyclic compounds), n-alkanes

  15. A combustion model for IC engine combustion simulations with multi-component fuels

    SciTech Connect

    Ra, Youngchul; Reitz, Rolf D. [Engine Research Center, University of Wisconsin-Madison (United States)

    2011-01-15

    Reduced chemical kinetic mechanisms for the oxidation of representative surrogate components of a typical multi-component automotive fuel have been developed and applied to model internal combustion engines. Starting from an existing reduced mechanism for primary reference fuel (PRF) oxidation, further improvement was made by including additional reactions and by optimizing reaction rate constants of selected reactions. Using a similar approach to that used to develop the reduced PRF mechanism, reduced mechanisms for the oxidation of n-tetradecane, toluene, cyclohexane, dimethyl ether (DME), ethanol, and methyl butanoate (MB) were built and combined with the PRF mechanism to form a multi-surrogate fuel chemistry (MultiChem) mechanism. The final version of the MultiChem mechanism consists of 113 species and 487 reactions. Validation of the present MultiChem mechanism was performed with ignition delay time measurements from shock tube tests and predictions by comprehensive mechanisms available in the literature. A combustion model was developed to simulate engine combustion with multi-component fuels using the present MultiChem mechanism, and the model was applied to simulate HCCI and DI engine combustion. The results show that the present multi-component combustion model gives reliable performance for combustion predictions, as well as computational efficiency improvements through the use of reduced mechanism for multi-dimensional CFD simulations. (author)

  16. Mantle hydrocarbons: Abiotic or biotic?

    SciTech Connect

    Sugisaki, Ryuichi; Mimura, Koichi [Nagoya Univ. (Japan)] [Nagoya Univ. (Japan)

    1994-06-01

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

  17. Mantle hydrocarbons: abiotic or biotic?

    PubMed

    Sugisaki, R; Mimura, K

    1994-06-01

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

  18. Symposium on Combustion /International/, 16th, Massachusetts Institute of Technology, Cambridge, Mass., August 15-20, 1976, Proceedings

    NASA Technical Reports Server (NTRS)

    1977-01-01

    Aspects of combustion technology in power systems are considered, taking into account a combustion in large boilers, the control of over-all thermal efficiency of combustion heating systems, a comparison of mathematical models of the radiative behavior of a large-scale experimental furnace, a concentric multiannular swirl burner, and the effects of water introduction on diesel engine combustion and emissions. Attention is also given to combustion and related processes in energy production from coal, spray and droplet combustion, soot formation and growth, the kinetics of elementary reactions, flame structure and chemistry, propellant ignition and combustion, fire and explosion research, mathematical modeling, high output combustion systems, turbulent flames and combustion, and ignition, optical, and electrical properties.

  19. Bacterial sources for phenylalkane hydrocarbons

    SciTech Connect

    Ellis, L.; Winans, R.E. [Argonne National Lab., IL (United States); Langworthy, T. [Univ. of South Dakota, Vermillion, SD (United States)

    1996-10-01

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

  20. Combustion chamber system for kerosine internal combustion engine

    Microsoft Academic Search

    S. Yagi; J. Ootani; M. Araki; F. Yoshida

    1986-01-01

    A combustion chamber system is described for an overhead valve type kerosine internal combustion engine, comprising: a cylinder head; a piston slidable in a cylinder; a main combustion chamber defined by a lower surface of a cylinder head and an upper surface of the piston; an auxiliary combustion chamber defined within the cylinder head and spaced from the main combustion

  1. 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.

  2. THE USE OF CO 2 AND COMBUSTION GASES FOR ENHANCED OIL RECOVERY IN RUSSIA

    Microsoft Academic Search

    V. A. Kuvshinov

    The use of carbon dioxide and combustion gases in EOR technologies is of interest from the point of view of CO2 geological sequestration. During the period of 1980-1990 large-scale pilot tests were carried out in Russia to utilize carbon dioxide and combustion gases, formed at different petrochemical production plants, to enhance oil recovery in different hydrocarbon fields. The analysis of

  3. Chem 681 Quantum Chemistry Chemistry 681

    E-print Network

    Chem 681 Quantum Chemistry Chemistry 681 Introduction to Quantum Chemistry Fall 2003 Course outline-consistent field (Hartree-Fock) theory. G.S. Ezra 1 Cornell University #12;Chem 681 Quantum Chemistry 8. Molecules

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

    NASA Technical Reports Server (NTRS)

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

    2006-01-01

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

  5. 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.

  6. Lump wood combustion process

    NASA Astrophysics Data System (ADS)

    Kubesa, Petr; Horák, Ji?í; Branc, Michal; Krpec, Kamil; Hopan, František; Koloni?ný, 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.

  7. Conversion of CO2 to Polycarbonates and Other Materials: Insights through Computational Chemistry

    E-print Network

    Yeung, Andrew D

    2014-09-25

    The use of carbon dioxide as a chemical feedstock for the copolymerization with epoxides to give polycarbonates, and for coupling with hydrocarbons to give carboxylic acids, was probed using computational chemistry. Metal-free systems were modeled...

  8. Optimization of gasoline hydrocarbon compositions for reducing exhaust emissions.

    PubMed

    Shen, Yitao; Shuai, Shijin; Wang, Jianxin; Xiao, Jianhua

    2009-01-01

    Effects of hydrocarbon compositions on raw exhaust emissions and combustion processes were studied on an engine test bench. The optimization of gasoline hydrocarbon composition was discussed. As olefins content increased from 10.0% to 25.0% in volume, the combustion duration was shortened by about 2 degree crank angle (degrees CA), and the engine-out THC emission was reduced by about 15%. On the other hand, as aromatics content changed from 35.0% to 45.0%, the engine-out NOx emissions increased by 4%. An increment in olefins content resulted in a slight increase in engine-out CO emission, while the aromatics content had little effect on engine-out total hydrocarbon (THC) and CO emissions. Over the new European driving cycle (NEDC), the THC, NOx and CO emissions of fuel with 25.0% olefins and 35.0% aromatics were about 45%, 21% and 19% lower than those of fuel with 10.0% olefins and 40.0% aromatics, respectively. The optimized gasoline compositions for new engines and new vehicles have low aromatics and high olefins contents. PMID:19999967

  9. 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.

  10. Towards a detailed soot model for internal combustion engines

    Microsoft Academic Search

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

    2009-01-01

    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

  11. Combustion under microgravity conditions

    SciTech Connect

    Berlad, A.L.

    1982-01-01

    Reduced gravity combustion experiments are frequently required to provide the information necessary for comprehensive understanding of combustion phenomena at normal gravitational conditions. Previous papers have dealt in detail with a broad range of combustion science experiments which require reduced gravity experimentation. This paper enlarges on these previous studies. Reduced gravity experiments are shown to be needed for comprehensive understanding of kinetic and thermokinetic oscillatory flame processes, the radiative ignition of solids, high pressure flame propagation and extinction phenomena, as well as a number of other combustion science areas of vital interest.

  12. Combustion Byproducts Recycling Consortium

    SciTech Connect

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

    2008-08-31

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

  13. Circumstellar chemistry

    NASA Technical Reports Server (NTRS)

    Glassgold, Alfred E.; Huggins, Patrick J.

    1987-01-01

    The study of the outer envelopes of cool evolved stars has become an active area of research. The physical properties of CS envelopes are presented. Observations of many wavelengths bands are relevant. A summary of observations and a discussion of theoretical considerations concerning the chemistry are summarized. Recent theoretical considerations show that the thermal equilibrium model is of limited use for understanding the chemistry of the outer CS envelopes. The theoretical modeling of the chemistry of CS envelopes provides a quantitive test of chemical concepts which have a broader interest than the envelopes themselves.

  14. Chemistry of Aviation Fuels

    NASA Technical Reports Server (NTRS)

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

    2004-01-01

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

  15. Direct hydrocarbon fuel cells

    DOEpatents

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

    2010-05-04

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

  16. Biogeochemistry of Halogenated Hydrocarbons

    NASA Astrophysics Data System (ADS)

    Adriaens, P.; Gruden, C.; McCormick, M. L.

    2003-12-01

    Halogenated hydrocarbons originate from both natural and industrial sources. Whereas direct anthropogenic emissions to the atmosphere and biosphere are often easy to assess, particularly when they are tied to major industrial activities, the attribution of emissions to other human activities (e.g., biomass burning), diffuse sources (e.g., atmospheric discharge, run off), and natural production (e.g., soils, fungi, algae, microorganisms) are difficult to quantify. The widespread occurrence of both alkyl and aryl halides in groundwater, surface water, soils, and various trophic food chains, even those not affected by known point sources, suggests a substantial biogeochemical cycling of these compounds (Wania and Mackay, 1996; Adriaens et al., 1999; Gruden et al., 2003). The transport and reactive fate mechanisms controlling their reactivity are compounded by the differences in sources of alkyl-, aryl-, and complex organic halides, and the largely unknown impact of biogenic processes, such as enzymatically mediated halogenation of organic matter, fungal production of halogenated hydrocarbons, and microbial or abiotic transformation reactions (e.g., Asplund and Grimvall, 1991; Gribble, 1996; Watling and Harper, 1998; Oberg, 2002). The largest source may be the natural halogenation processes in the terrestrial environment, as the quantities detected often exceed the amount that can be explained by human activities in the surrounding areas ( Oberg, 1998). Since biogeochemical processes result in the distribution of a wide range of halogenated hydrocarbon profiles, altered chemical structures, and isomer distributions in natural systems, source apportionment (or environmental forensics) can often only be resolved using multivariate statistical methods (e.g., Goovaerts, 1998; Barabas et al., 2003; Murphy and Morrison, 2002).This chapter will describe the widespread occurrence of halogenated hydrocarbons, interpret their distribution and biogeochemical cycling in light of natural and anthropogenic sources, biotic and abiotic reactivity, and prevailing cycling mechanisms. Specific emphasis will be placed on the potential role of biotic and abiotic transformation reactions in soil, water, and sediment environments resulting in environmental sequestration and phase transfer.

  17. Assessment of the contribution of in-situ combustion of coal to greenhouse gas emission; based on a comparison of Chinese mining information to previous remote sensing estimates

    Microsoft Academic Search

    Paul van Dijk; Jianzhong Zhang; Wang Jun; Claudia Kuenzer; Karl-Heinz Wolf

    2011-01-01

    Greenhouse gas (GHG) emission from geological sources such as volcanic activity, seabed gas hydrate release, hydrocarbon seepage as well as uncontrolled combustion of fossil fuels is erratic and difficult to quantify. In this paper we assess the GHG emission due to spontaneous combustion of in-situ coal deposits (‘coal fires’). This problem is aggravated by human intervention (mining activities) which on

  18. State to State Chemistry This research is concerned with the description of chemical reactions, photoprocesses and

    E-print Network

    State to State Chemistry This research is concerned with the description of chemical reactions are interested in are: 1.Reactions of oxygen atoms with polyatomic molecules (hydrocarbons, fluorinated hydrocarbons) We have performed extensive studies of the reaction of atomic oxygen (O(3 P)) with small

  19. Cooperative Chemistry

    NSDL National Science Digital Library

    Allan A. Gahr

    2003-02-01

    Concept mapping in the organic chemistry laboratory can supplant cookbook activities with higher cognitive exercises. The common thread of most organic lab experiments is the synthesis, isolation, purification, and characterization of a carbon compound. T

  20. Radioanalytical Chemistry

    NSDL National Science Digital Library

    Hardy, James K.

    This website provides a course on the use of radionuclides in analytical chemistry. Types of radioactive decay are discussed as well as the techniques of scintillation counting, neutron activation analysis, and gamma spectroscopy.

  1. Precolumbian Chemistry.

    ERIC Educational Resources Information Center

    Robinson, Janet Bond

    1995-01-01

    Describes the content and development of a curriculum that provides an approach to descriptive chemistry and the history of technology through consideration of the pottery, metallurgy, pigments, dyes, agriculture, and medicine of pre-Columbian people. (DDR)

  2. Green Chemistry

    NSDL National Science Digital Library

    2011-03-02

    Learn about a study in which participants discovered contaminants in their homes, and how green chemistry may provide alternatives to such everyday toxins, in this video adapted from Contaminated Without Consent.

  3. 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)

  4. Combustion Enhancement with a Silent Discharge Plasma

    NASA Astrophysics Data System (ADS)

    Rosocha, Louis

    2003-10-01

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

  5. Manufacture of a gas containing carbon monoxide and hydrogen gas from a starting material containing carbon and/or hydrocarbon

    SciTech Connect

    Santen, S.; Johansson, B.

    1984-08-21

    In a process for manufacturing a gas substantially containing carbon monoxide and hydrogen gas from a starting material containing carbon and/or hydrocarbon, the starting material is injected in powder or liquid form together with an oxidizing agent and slag former in a combustion zone while heat energy is simultaneously supplied. The combustion zone is formed in the lower portion of a shaft filled with particulate, solid, carbonaceous material and sulphur-binding slag former.

  6. Stratospheric chemistry

    SciTech Connect

    Brune, W.H. (USAF, Geophysics Laboratory, Hanscom AFB, MA (United States))

    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.

  7. Combustion of volatile matter during the initial stages of coal combustion

    SciTech Connect

    Marlow, D.; Niksa, S.; Kruger, C.H.

    1990-08-01

    Both the secondary pyrolysis and combustion of the volatiles from a bituminous coal will be studied. Devolatilization and secondary pyrolysis experiments will be conducted in a novel flow reactor in which secondary pyrolysis of the volatiles occurs after devolatilization is complete. This allows unambiguous measurements of the yields from both processes. Measurements will be made for reactor temperatures from 1500 to 1700 K, and a nominal residence time of 200 msec. These conditions are typical of coal combustion. Yields of tar, soot, H{sub 2}, CO, CH{sub 4}, and C{sub 2} and C{sub 3} hydrocarbons will be determined as a function of reactor temperature. The yields will be reported as a function of the temperature of the reactor. The instrumentation for temperature measurements will be developed during future studies. Combustion studies will be conducted in a constant volume bomb, which will be designed and constructed for this study. Tar and soot will be removed before introducing the volatiles to the bomb, so that only the combustion of the light gas volatiles will be considered. The burning velocities of light gas volatiles will be determined both as functions of mixture stoichiometry and the temperature at which the volatiles are pyrolysed. 90 refs., 70 figs., 13 tabs.

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

    Microsoft Academic Search

    Y. C. Chien; S. H. Yang

    2012-01-01

    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

  9. Ultra-lean combustion at high inlet temperatures

    NASA Technical Reports Server (NTRS)

    Anderson, D. N.

    1981-01-01

    Combustion at inlet air temperatures of 1100 to 1250 K was studied for application to advanced automotive gas turbine engines. Combustion was initiated by the hot environment, and therefore no external ignition source was used. Combustion was stabilized without a flameholder. The tests were performed in a 12 cm diameter test section at a pressure of 2.5 x 10 to the 5th power Pa, with reference velocities of 32 to 60 m/sec and at maximum combustion temperatures of 1350 to 1850 K. Number 2 diesel fuel was injected by means of a multiple source fuel injector. Unburned hydrocarbons emissions were negligible for all test conditions. Nitrogen oxides emissions were less than 1.9 g NO2/kg fuel for combustion temperatures below 1680 K. Carbon monoxide emissions were less than 16 g CO/kg fuel for combustion temperatures greater than 1600 K, inlet air temperatures higher than 1150 K, and residence times greater than 4.3 microseconds.

  10. Numerical modeling of hydrogen-fueled internal combustion engines

    SciTech Connect

    Johnson, N.L.; Amsden, A.A.

    1996-12-31

    The planned use of hydrogen as the energy carrier of the future introduces new challenges and opportunities, especially to the engine design community. Hydrogen is a bio-friendly fuel that can be produced from renewable resources and has no carbon dioxide combustion products; and in a properly designed ICE, almost zero NO{sub x} and hydrocarbon emissions can be achieved. Because of the unique properties of hydrogen combustion - in particular the highly wrinkled nature of the laminar flame front due to the preferential diffusion instability - modeling approaches for hydrocarbon gaseous fuels are not generally applicable to hydrogen combustion. This paper reports on the current progress to develop a engine design capability based on KIVA family of codes for hydrogen-fueled, spark-ignited engines in support of the National Hydrogen Program. A turbulent combustion model, based on a modified eddy-turnover model in conjunction with an intake flow valve model, is found to describe well the efficiency and NO{sub x} emissions of this engine satisfy the Equivalent Zero Emission Vehicle (EZEV) standard established by the California Resource Board. 26 refs., 10 figs., 1 tab.

  11. Mineral Characterization for Combustion

    Microsoft Academic Search

    Colin R. Ward

    The material referred to as “mineral matter” in coal has been to the combustion engineer a close to random association of chemical elements. These “random” elements are transformed in the combustion process to ash, react to form boiler deposits (slagging); abrade the internal parts of the boiler (erosion), and produce vapor phases that react with the metals in the boiler

  12. Internal combustion piston engines

    Microsoft Academic Search

    Segaser

    1977-01-01

    Current worldwide production of internal combustion piston engines includes many diversified types of designs and a very broad range of sizes. Engine sizes range from a few horsepower in small mobile units to over 40,000 brake horsepower in large stationary and marine units. The key characteristics of internal combustion piston engines considered appropriate for use as prime movers in Integrated

  13. Fundamental aspects of combustion

    Microsoft Academic Search

    A. Linan; F. A. Williams

    1993-01-01

    This book is addressed to readers who have not specialized in combustion. Chapter 1 provides introductory information on combustion. Premixed flames and diffusion flames are the main topics of chapters 2 and 3, emphasizing the important roles played by asymptotic analysis and the diversity arising from chemical kinetics in flames. In an attempt to emphasize their common features, the subjects

  14. Fifteenth combustion research conference

    SciTech Connect

    NONE

    1993-06-01

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

  15. Rotary internal combustion engine

    Microsoft Academic Search

    Roggenburk

    1987-01-01

    This patent describes a rotary internal combustion engine, which comprises: a nonrotatable housing; means for supplying a combustion mixture; a rotatable shaft journalled within the housing; a compression portion rotatable with the shaft, the compression portion comprising a first rotor mounted on the shaft and cylinders and pistons, each of the pistons reciprocating within one of the cylinders to compress

  16. Rocket combustion chamber life-enhancing design concepts

    NASA Technical Reports Server (NTRS)

    Quentmeyer, Richard J.

    1990-01-01

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

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

    NASA Astrophysics Data System (ADS)

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

    2014-08-01

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

  18. Production of small hydrocarbons in photo-dissociation regions

    NASA Astrophysics Data System (ADS)

    Pilleri, P.; Joblin, C.; Gerin, M.; Pety, J.; Montillaud, J.; Boulanger, F.; Fuente, A.

    2011-05-01

    Observational studies of photo-dissociation regions (PDRs) have shown that gas-phase small hydrocarbons are more abundant than predicted by models, especially in the layers of PDRs where polycyclic aromatic hydrocarbon (PAH) molecules emit in the aromatic infrared bands (AIBs, Pety et al., A&A 2005). This strongly indicates that additional chemical pathways play a role in the formation of hydrocarbons. Several studies have shown that PAHs are formed by photo-fragmentation of very small dust particles called evaporating very small grains (eVSGs, Rapacioli et al., A&A 2005; Berné et al., A&A 2007; Pilleri et al., A&A 2011). In this work, we combine IR and mm observations to investigate if the production of small hydrocarbons could be related to this process. We obtained high-spatial-resolution spectro-imagery data at different wavelengths to trace the emission of PAHs, eVSGs and hydrocarbons in the north-west PDR of the reflection nebula NGC 7023. This PDR is a good template for such study since the emission of all these species can be spatially resolved at both IR and mm wavelengths. We present new mm interferometric and single-dish observations obtained at the IRAM 30m telescope and at the Plateau de Bure interferometer of C_2H and C_3H_2. We compare these results with near- and mid-IR data obtained with Spitzer and AKARI to search for a link between the emission of small hydrocarbons and the chemical transition between eVSGs and PAHs. The comparison of the AIB emission with the interferometric maps shows that the emission of small hydrocarbons peaks at the transition between eVSGs and PAHs, where eVSGs are destroyed to produce free PAHs. In the same regions, we report a strong intensity decrease of the aliphatic 3.4 ?m emission band relative to the 3.3 ?m aromatic feature. This suggests that aliphatic CH_3 sidegroups of PAHs/eVSGs are released in the gas-phase, possibly influencing the chemistry of small hydrocarbons. The observations presented here are consistent with eVSGs being a mixture of PAH clusters of various sizes, aliphatic groups and/or super-hydrogenated PAHs. We conclude that the photo-dissociation of PAHs and eVSGs play an important role in the chemistry of PDRs.

  19. Chemistry of the outer planets

    NASA Technical Reports Server (NTRS)

    Scattergood, Thomas W.

    1992-01-01

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

  20. Hydrocarbon biodegradation in intertidal wetland sediments.

    PubMed

    McGenity, Terry J

    2014-06-01

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

  1. Coumarin, Naphthalene, and Additional Polycyclic Aromatic Hydrocarbons

    NSDL National Science Digital Library

    The featured molecules this month are drawn from two papers. The first, "One-Pot Synthesis of 7-Hydroxy-3-carboxycoumarin in Water", is a Green Chemistry feature by Fringuelli, Piermatti, and Pizzo. The three-dimensional versions of the molecules in the synthesis of the coumarin derivative are directly tied to the reaction scheme included in the paper, opening the possibility of showing large numbers of complex synthetic pathways in this manner.The second paper is "Determining the Carbon-Carbon Distance in an Organic Molecule with a Ruler" by Simoni, Tubino, and Ricchi. This article describes an experiment to determine the size of a naphthalene molecule, using an extension of classic experiments for determining molecular size and Avogadro's number. While the structure of naphthalene will come as no surprise to most students, the molecule collection also includes additional polycyclic aromatic hydrocarbons (PAHs) that can be used to introduce students to the environmental and health issues related to these molecules.

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

    SciTech Connect

    Fu, S.; Li, K.; Xia, X.J.; Xu, X.B. [Chinese Academy of Sciences, Beijing (China)

    2009-02-15

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

  3. 66 FR 3180 - National Emission Standards for Hazardous Air Pollutants for Chemical Recovery Combustion Sources...

    Federal Register 2010, 2011, 2012, 2013, 2014

    2001-01-12

    ...combustion units using total hydrocarbon (THC) as a surrogate for gaseous organic HAP...gaseous organic HAP emissions (as measured by THC reported as carbon) from these units by...organic HAP emission limit (as measured by THC reported as carbon) of 1.49...

  4. Flow in the coolant passages of an internal combustion engine cylinder head

    Microsoft Academic Search

    C. H. Liu; C. Vafidis; J. H. Whitelaw; R. Margary

    1990-01-01

    Detailed measurements of the coolant flow field have been made in the water passages of the cylinder head of an internal combustion engine. They were obtained by casting a transparent acrylic model of the cylinder head and using a mixture of hydrocarbon fluids at a predetermined temperature and concentration which ensured that the refractive index of the fluid was identical

  5. Supersonic Combustion of Kerosene\\/H2Mixtures in a Model Scramjet Combustor

    Microsoft Academic Search

    C. Gruenig; F. Mayinger

    1999-01-01

    Liquid hydrocarbon supersonic combustion has been experimentally investigated. Kerosene was burnt in a steady. vitiated Mach 2.15 - air flow of a model scramjet combustor. The fuel is injected into the supersonic air stream by means of pylons. The effervescent atomisation method has been employed such that the liquid fuel is injected as a spray. By means of the Mie

  6. Lox/hydrocarbon propellants for space propulsion systems

    NASA Technical Reports Server (NTRS)

    Boyd, W. C.

    1984-01-01

    The significant results of technology efforts directed by the NASA Lyndon B. Johnson Space Center investigating liquid oxygen/hydrocarbon (lox/HC) propellant combination are presented. These efforts are intended to identify viable propellant combinations and system designs to replace nitrogen tetroxide and monomethylhydrazine for future spacecraft orbital maneuvering and attitude control systems, and to date have been focused primarily on the various technology areas of lox/HC combustion - injector element design effects, performance, combustion chamber heat transfer, coking, and ignition. In addition, a study was performed to compare candidate lox/HC propulsion system concepts and to evaluate major system/component design options. The data generated provide quantitative substantiation of trends previously experienced with hypergolic propellants and with a lox and rocket propellant combination. More importantly, however, the data provide a sound footing for the technology data base that must be built to support future systems development.

  7. Computation of azimuthal combustion instabilities in an helicopter combustion chamber

    E-print Network

    Nicoud, Franck

    Computation of azimuthal combustion instabilities in an helicopter combustion chamber C. Sensiau to compute azimuthal combustion instabilities is presented. It requires a thermoacoustic model using a n - formulation for the coupling between acoutics and combustion. The parameters n and are computed from a LES

  8. Process for extracting hydrocarbons from hydrocarbon bearing ores

    SciTech Connect

    Friedman, R.H.; Eakin, B.E.

    1986-02-18

    This patent describes a process for recovering hydrocarbons from a diatomite ore consisting of: reducing the size of the ore to less than about 5 mesh to form a reduced ore; combining the reduced ore with liquid to form ore pellets; treating the ore pellets to form extractable ore pellets; contacting a bed of the extractable pellets with extracting solvent in an extraction zone such that the relative velocity of the solvent to the extractable pellets is at least about one-half gallon per square foot per minute or more to thereby extract hydrocarbons from the extractable pellets and form spent pellets and a hydrocarbon rich solvent stream comprising extracting solvent and extracted hydrocarbons. The extracted hydrocarbons have an ash content of about less than 3 weight percent; and recovering extracting solvent from the spent pellets while retaining the spent pellets in pellet form without release of a significant amount of fines.

  9. Internal combustion engine with rotary combustion chamber

    Microsoft Academic Search

    C. N. Hansen; P. C. Cross

    1988-01-01

    This patent describes an internal combustion engine comprising: a block having at least one cylindrical wall surrounding a piston chamber, piston means located in the piston chamber, means operable to reciprocate the piston means in the chamber, head means mounted on the block covering the chamber. The head means having an air and fuel intake passage, an exhaust gas passage,

  10. Internal combustion engine with rotary combustion chamber

    Microsoft Academic Search

    C. N. Hansen; P. C. Cross

    1986-01-01

    This patent describes an internal combustion engine comprising: a block having at least one cylindrical wall surrounding a piston chamber, piston means located in the piston chamber means operable to reciprocate the piston means in the chamber, head means mounted on the block covering the chamber. The head means has an air and fuel intake passage, and exhaust gas passage,

  11. Internal combustion engine squish jet combustion chamber

    Microsoft Academic Search

    1986-01-01

    This patent describes a internal combustion engine block having a piston and cylinder head, one of which has: (a) a substantially cylindrical bowl opening into the face thereof; (b) a pair of squish jet passages having respective inlets communicating with the face thereof, and respective, transversely spaced, outlets directed substantially tangentially into the bowl, the outlet of a first one

  12. CHEMISTRY 108-01 GENERAL CHEMISTRY II

    E-print Network

    Findley, Gary L.

    CHEMISTRY 108-01 GENERAL CHEMISTRY II Fall Term, 2002 10:00 - 10:50 am, MWThF CNSB 243 INSTRUCTOR-1835 Email: findley@ulm.edu URL: www.ulm.edu/chemistry/findley COURSE Content: Principles of modern chemistry. Goals/ Objectives: CHEM 108 is the second semester of a fundamental introduction to chemistry

  13. CHEMISTRY 107-01 GENERAL CHEMISTRY I

    E-print Network

    Findley, Gary L.

    CHEMISTRY 107-01 GENERAL CHEMISTRY I Spring 2002 8:00 am - 8:50 am, MTuWTh Rm. CNSB 243 INSTRUCTOR-1835 Email: chfindley@ulm.edu URL: http://www.ulm.edu/chemistry/findley COURSE Content: Principles of modern chemistry. Goals/ Objectives: CHEM 107 is the first semester of a fundamental introduction to chemistry

  14. Chem 681 Quantum Chemistry Chemistry 681

    E-print Network

    ]. The physical chemistry text by McQuarrie & Simon [3] (used in Chem 390) also has relevant material. The third] McQuarrie and Simon, Physical Chemistry (University Science Books). [4] R.P. Feynman, R.B. LeightonChem 681 Quantum Chemistry Chemistry 681 Introduction to Quantum Chemistry Fall 2003 BIBLIOGRAPHY

  15. CHEMISTRY 321 PHYSICAL CHEMISTRY LABORATORY I

    E-print Network

    Findley, Gary L.

    CHEMISTRY 321 PHYSICAL CHEMISTRY LABORATORY I Fall 2009 2:00 - 5:00 pm, F CNSB 142 INSTRUCTOR techniques of physical chemistry. Goals/ Objectives: Physical Chemistry Laboratory introduces the student analysis software and IEEE-488 electronic devices. The focus for Physical Chemistry Laboratory I

  16. CHEMISTRY 323 PHYSICAL CHEMISTRY LABORATORY II

    E-print Network

    Findley, Gary L.

    CHEMISTRY 323 PHYSICAL CHEMISTRY LABORATORY II Spring 2010 2:00 - 5:00 pm, F CNSB 142 INSTRUCTOR techniques of physical chemistry. Goals/ Objectives: Physical Chemistry Laboratory introduces the student analysis software and IEEE-488 electronic devices. The focus for Physical Chemistry Laboratory II

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

    NASA Astrophysics Data System (ADS)

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

    2013-09-01

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

  18. Source diagnostics of polycyclic aromatic hydrocarbons in urban road runoff, dust, rain and canopy throughfall.

    PubMed

    Zhang, Wei; Zhang, Shucai; Wan, Chao; Yue, Dapan; Ye, Youbin; Wang, Xuejun

    2008-06-01

    Diagnostic ratios and multivariate analysis were utilized to apportion polycyclic aromatic hydrocarbon (PAH) sources for road runoff, road dust, rain and canopy throughfall based on samples collected in an urban area of Beijing, China. Three sampling sites representing vehicle lane, bicycle lane and branch road were selected. For road runoff and road dust, vehicular emission and coal combustion were identified as major sources, and the source contributions varied among the sampling sites. For rain, three principal components were apportioned representing coal/oil combustion (54%), vehicular emission (34%) and coking (12%). For canopy throughfall, vehicular emission (56%), coal combustion (30%) and oil combustion (14%) were identified as major sources. Overall, the PAH's source for road runoff mainly reflected that for road dust. Despite site-specific sources, the findings at the study area provided a general picture of PAHs sources for the road runoff system in urban area of Beijing. PMID:17949873

  19. Chemistry Now

    NSDL National Science Digital Library

    2012-08-17

    The National Science Foundation (NSF) recently teamed up with NBC and the National Science Teachers Association to celebrate the International Year of Chemistry. Their big joint project was to create Chemistry Now, a weekly online video series that uncovers and explains the science of common, physical objects. There are over two dozen short films here that cover topics like the chemistry of salt, grapheme, safety glass, and the common cheeseburger. All of the videos are lively and interesting, and they can be used in a wide range of classroom settings to provide visual and audio reinforcement of topics that might be addressed in course lectures and other activities. The videos are completely free and the site includes links to other organizations that have created similar videos.

  20. Chemistry & Industry

    NSDL National Science Digital Library

    1997-01-01

    Chemistry and Industry Magazine, a bimonthly product of the Society of Chemical Industry, provides selected full-text articles from the print magazine in the areas of news, commentary, features, latest results from chemical literature, and highlights from the latest European patents. In addition, there is a searchable and browsable archive of past issues, a daily news section, and searchable jobs and meetings databases. The Society of Chemical Industry is "an international association of about 6000 members aimed at furthering applied chemistry." One of the highlights of its web site is its publication section, where, under "electronic publications," readers can find updated daily news, jobs and meetings listings on chemistry, pharmaceuticals, biotechnology, and the environment.

  1. Pyrogenic polycyclic aromatic hydrocarbons in soils of reserved and anthropogenically modified areas: Factors and features of accumulation

    NASA Astrophysics Data System (ADS)

    Gennadiev, A. N.; Tsibart, A. S.

    2013-01-01

    The accumulation features of pyrogenic polycyclic aromatic hydrocarbons (PAHs) in soils were analyzed depending on the type of burning material and the combustion conditions (the temperature, oxygen access, and dispersion of the combustion products). The PAH accumulation features in the soils of three reserved areas of forest, steppe, and peat fires were revealed. The distribution features of the PAHs resulting from the anthropogenic pyrogenic processes (the household combustion of wood and the inflammation of coal dumps) in soils were established. The differences in the qualitative composition of the PAHs arriving to the soils from the different pyrogenic sources were shown.

  2. 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.

  3. Four Lectures on Turbulent Combustion

    E-print Network

    Peters, Norbert

    Four Lectures on Turbulent Combustion N. Peters Institut f¨ur Technische Mechanik RWTH Aachen Turbulent Combustion: Introduction and Overview 1 1.1 Moment Methods in Modeling Turbulence with Combustion and Velocity Scales . . . . . . . . . . . 11 1.4 Regimes in Premixed Turbulent Combustion

  4. Assessment of RANS-based turbulent combustion models for prediction of gas turbine emissions: turbulence model and reaction mechanism effects

    Microsoft Academic Search

    J. R. Nanduri; I. B. Celik; P. A. Strakey; D. R. Parsons

    2007-01-01

    The goal of this study is to assess current, commonly applied turbulence and combustion models with respect to their performance in gas-turbine combustion (GTC). Reynolds Averaged Navier-Stokes (RANS)-based turbulence and chemistry models are two primary factors influencing the uncertainty in predicting turbulent combustion characteristics, especially for GTC. RANS-based methods are the design tools of choice in the gas turbine industry

  5. Fluidized bed combustion: Mechanical systems and chemical processes. (Latest citations from the NTIS bibliographic database). Published Search

    SciTech Connect

    Not Available

    1993-11-01

    The bibliography contains citations concerning research and development activities of mechanical systems and chemical processes pertaining to fluidized bed combustion systems. Descriptions and evaluations of the following topics are considered: combustion and ignition studies, mechanical elements, heating and cooling systems, industrial chemistry, and chemical process engineering. (Contains 250 citations and includes a subject term index and title list.)

  6. Chemistry 320N Organic Chemistry II

    E-print Network

    Chemistry 320N Organic Chemistry II for Prehealth Professionals Unique number: 52365 Spring 2013 M students can access the information. #12;Required Text: Brown, Foote, Iverson, & Anslyn Organic Chemistry

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

    SciTech Connect

    Apostolescu, N.; Chiriac, R. [Univ. Politehnica of Bucharest (Romania)

    1996-09-01

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

  8. Radical cations in radiation chemistry of liquid hydrocarbons

    SciTech Connect

    Trifunac, A.D.; Sauer, M.C., Jr.; Shkrob, I.A.; Werst, D.W.

    1996-07-01

    The state of knowledge concerning radical cations in liquid alkanes is discussed with particular emphasis on those which exhibit high mobility. Uncertainty has existed in the interpretation of previous results with respect to the nature and reactivity of high mobility ions, especially for cyclohexane. Recent time-resolved studies on pulse radiolysis/transient absorption, photoconductivity, and magnetic resonance in these systems have led us to propose new mechanisms for the high mobility ions. In decalins, scavenging of these ions by solutes is a pseudo-first-order reaction. In cyclohexane, the behavior is more complex and is indicative of the involvement of two species. This bimodality is rationalized in terms of a dynamic equilibrium between two conformers of the solvent radical cation. Several experimental tests supporting these views include a recent study on two-color laser photoionization in cyclohexane.

  9. Reactions of hydrocarbon radicals and biradicals.

    PubMed

    Pilling, Michael J

    2013-05-01

    Experimental measurements of the rate coefficients for several types of gas phase radical reactions are reviewed. They include radical isomerization and dissociation, radical + radical association, and unimolecular reactions of peroxy radicals. Some reactions of methylene in its lowest singlet state are also considered. The links to theories of chemical reaction rates and especially of capture rates for radical + radical reactions are examined. Many of the reactions involve formation of adducts, which can isomerize and dissociate. Such reactions frequently involve energy distributions of the adducts that are far from Boltzmann, and the interpretation of measurements requires the use of master equation techniques. The basis of these methods and the use of matrix diagonalization and eigenvector/eigenvalue analysis to extract phenomenological rate coefficients are discussed. The relevance of the measurements to applications in atmospheric chemistry and, especially, in combustion is briefly considered. PMID:23570237

  10. 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…

  11. Nuclear Chemistry

    NSDL National Science Digital Library

    This page, from the University of North Carolina - Chapel Hill Chemistry Fundamentals program and the Shodor Education Foundation, discusses five different types of radioactive decay: alpha, beta negative, gamma, positron emission, and electron capture. After examining the numerous equations, students can test their dating skills by solving three practice problems. Solutions are included.

  12. 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)

  13. 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)

  14. Green Chemistry

    NSDL National Science Digital Library

    WGBH Educational Foundation

    2010-02-12

    This audio segment from PRI's The World Science Podcast explores the science of Green Chemistry. Hear about companies that are developing greener chemicals, and learn why they are fast becoming an attractive alternative for the multi-billion dollar chemical industry.

  15. Countertop Chemistry

    NSDL National Science Digital Library

    Chemistry activities and demonstrations that use common household items and kitchen chemicals. There are activities appropriate for students in elementary school, middle school, and high school. The activities were designed and tested by the Science House, the science and mathematics learning outreach program of North Carolina State University.

  16. Chemistry Activities

    NSDL National Science Digital Library

    This collection of resource features demonstrations, laboratory investigations, teaching tips, worksheets and other chemistry-related activities. Materials include investigations of mols, nuclear energy, the periodic table, weight and mass, elements, calculations, equations, pH, atomic weight, half-lives, and reactions.

  17. Analytical Chemistry

    NSDL National Science Digital Library

    Hardy, James K.

    This site features lecture notes for first and second level courses in analytical chemistry. Topics include titrations, gravimetry, kinetics and electrochemistry (redox). Potentiometry, coulometry, voltammetry, spectroscopic and separation methods are presented as well, and are illustrated with QuickTime animations.

  18. Common Chemistry

    NSDL National Science Digital Library

    Chemical Abstracts Service (CAS)

    A web resource that contains Chemical Abstracts Service (CAS) Registry Numbers for approximately 7,800 chemicals of widespread general public interest. Common Chemistry is helpful to non-chemists who know either a name or CAS Registry Number® of a common chemical and want to pair both pieces of information.

  19. Atmospheric Chemistry

    NSDL National Science Digital Library

    This set of links provides access to resources on atmospheric chemistry, especially acid deposition, air pollution, and air quality. The sites include personal and government pages, universities and research groups, non-governmental organizations and meetings, and products and services. There are also links to related search topics.

  20. 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…

  1. Combustion Technology Outreach

    NASA Technical Reports Server (NTRS)

    1995-01-01

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

  2. Consider Compressed Combustion

    E-print Network

    Crowther, R. H.

    1982-01-01

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

  3. Consider Compressed Combustion 

    E-print Network

    Crowther, R. H.

    1982-01-01

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

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

    SciTech Connect

    Hubbard, A.J.; Grande, D.E.; Berens, J.R. [Wisconsin Dept. of Natural Resources, Madison, WI (United States); Piotrowski, J. [Tenneco Packaging, Inc., Tomahawk, WI (United States)

    1997-12-31

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

  5. Internal combustion engines and method of operating an internal combustion engine using staged combustion

    Microsoft Academic Search

    1991-01-01

    A method of operating an internal combustion engine with a split chamber design for stage combustion comprising the steps of: forming at least one primary combustion chamber and at least one secondary combustion chamber in association with a cylinder means having at least two regions formed therein and piston means within the engine, causing air within the cylinder means to

  6. Fall 2011 Chemistry 676

    E-print Network

    Mather, Patrick T.

    Fall 2011 Chemistry 676 "Introduction to organic synthesis: Methodology" T chemistry, olefination reactions, cross coupling chemistry, and modern transition metal are due by 1200 (noon) in my office (CST 3-008) or my mailbox in the chemistry

  7. Polycyclic aromatic hydrocarbon contamination of American lobster, Homarus americanus , in the proximity of a coal-coking plant

    Microsoft Academic Search

    J. F. Uthe; C. J. Musial

    1986-01-01

    Polycyclic aromatic hydrocarbons (PAH) are ubiquitous environmental contaminants resulting predominantly from anthropogenic pyrolytic and combustion processes (NRCC 1983). In addition to the usual methods of aerial and aqueous transport to the coastal marine environment substantial amounts of PAH are added through the use of products such as creosote, coal tar and coal tar pitch as preservative and antifouling agents in

  8. Determination of Firefighter Exposure to Polycyclic Aromatic Hydrocarbons and Benzene During Fire Fighting Using Measurement of Biological Indicators

    Microsoft Academic Search

    Chantal Caux; Cindy OBrien; Claude Viau

    2002-01-01

    In accomplishing their duties, firefighters are potentially exposed to a vast array of toxic combustion and pyrolysis products such as benzene, carbon monoxide, acrolein, nitrogen dioxide, and polycyclic aromatic hydrocarbons. Exposure to PAH and benzene was assessed by means of urinary measurements of 1-hydroxypyrene and t,t -muconic acid, respectively. All urine samples were collected from 43 firefighters during a period

  9. Comparison of polycyclic aromatic hydrocarbon levels in placental tissues of Indian women with full- and preterm deliveries

    Microsoft Academic Search

    Vipul Kumar Singh; Jyoti Singh; Madhu Anand; Prabhat Kumar; Devendra Kumar Patel; Mudiam Mohana Krishna Reddy; Mohammed Kaleem Javed Siddiqui

    2008-01-01

    Polycyclic aromatic hydrocarbons (PAHs) are ubiquitous environmental contaminants formed from combustion products of fossil fuels, cigarette smoking and in grilled\\/smoked foods. They are reported to alter trophoblast proliferation in placenta, in addition to disturbing its endocrine functions, which may be able to increase the risk of preterm delivery in pregnant women. The present study was planned to assess possible involvement

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

    EPA Science Inventory

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

  11. Formation of polycyclic aromatic hydrocarbons and their growth to soot—a review of chemical reaction pathways

    Microsoft Academic Search

    H. Richter; J. B. Howard

    2000-01-01

    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 discusses a general scheme of PAH formation and sequential growth of PAH by reactions with stable and radical species, including single-ring aromatics, other PAH

  12. Influence of humidity, sunlight, and temperature on the daytime decay of polyaromatic hydrocarbons on atmospheric soot particles

    Microsoft Academic Search

    Richard M. Kamens; Zhishi Guo; J. N. Fuicher; Douglas A. Bell

    1988-01-01

    In this paper we have attempted to quantify the loss of polyaromatic hydrocarbons (PAH) on atmospheric soot particles with respect to the effects of humidity, solar radiation, and temperature. Dilute residential wood smoke and internal gasoline combustion emissions were individually aged in the presence of natural sunlight in 25-m³ outdoor Teflon film chambers. Soot particles were collected on filters and

  13. Calculations of the influence of additives on coal combustion deposits

    SciTech Connect

    Blander, M.; Sinha, S.; Pelton, A.; Eriksson, G.

    1989-01-01

    The complex chemistry of coal combustion involves hundreds of species in gaseous, solid, and liquid phases, with some of these being solution phases. We have developed new robust calculational techniques capable of defining the total chemistry of coal combustion and of the complex solid and liquid silicate and sulfate solutions involved. The results indicate that coal combustion chemistry is more complex than had been believed and that kinetic factors can enhance fouling and corrosion by liquid condensates. In this paper, we examine the changes in chemistry due to additions of CaCO/sub 3/ (to desulfurize the gaseous effluents) and of NaCl and CaCl/sub 2/ (which are recommended as deicers or to increase the conductivity of effluents in electrostatic precipitators). The results reveal the chemical changes due to these additives; these should be important in defining a strategy for making such additions. In addition, we also impose an expected kinetic constraint on the chemical reactions. Such constraints should, ultimately, prove to be very important in real systems. 8 refs., 4 tabs.

  14. Intrinsic bioremediation of petroleum hydrocarbons in a gas condensate-contaminated aquifer

    Microsoft Academic Search

    Lisa M. Gieg; R. S. Tanner; S. H. Jr. Harris; K. L. Sublette; J. M. Suflita; R. V. Kolhatkar

    1999-01-01

    A study was designed to determine if the intrinsic bioremediation of gas condensate hydrocarbons represented an important fate process in a shallow aquifer underlying a natural gas production site. For over 4 yr, changes in the groundwater, sediment, and vadose zone chemistry in the contaminated portion of the aquifer were interpreted relative to a background zone. Changes included decreased dissolved

  15. Stable Carbon Isotope Characterization of Non-Methane Hydrocarbons in Vancouver and Toronto Airsheds

    Microsoft Academic Search

    G. MacIsaac; M. J. Whiticar; J. Rudolph; S. Gao

    2004-01-01

    We have developed an approach using stable carbon isotopes as tool to understanding distribution and free radical chemistry of Volatile Organic Compounds (VOCs) in urban airsheds. Carbon isotope ratios are indirect tracers for the reactions of non-methane hydrocarbons (NMHC) with OH radicals. The carbon isotope signatures are diagnostic of the source inputs and trajectories and potentially fingerprint emissions. Compound Specific

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

    ERIC Educational Resources Information Center

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

    2014-01-01

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

  17. Kinetics of Radical-Radical Reactions of Hydrocarbon-Based Radicals Vadim D. Knyazev,*

    E-print Network

    Knyazev, Vadim D.

    1 Kinetics of Radical-Radical Reactions of Hydrocarbon-Based Radicals Vadim D. Knyazev,* Irene R of Chemistry The Catholic University of America, Washington, DC 20064, USA, E-mail: knyazev@cua.edu Radical-radical as chain termination pathways. In addition, radical-radical reactions represent pathways of molecular mass

  18. Generalities on combustion instabilities

    NASA Astrophysics Data System (ADS)

    Kuentzmann, Paul

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

  19. Combustible gas sensor

    SciTech Connect

    Vaughn, E.D.; Creason, S.C.

    1993-07-06

    In a combustible gas sensor having a housing defining an interior containing an electrically conductive reference element and an electrically conducting measurement element coated with a catalyst for the catalytic combustion of a combustible gas and circuitry for measuring the difference in resistance between said measurement element and said reference element as they are heated by combustion of said combustible gas and means for measuring the difference in resistance between said measurement element and said reference element thereby to determine the quantity of combustible gas in a sample, the improvement is described comprising: maintaining said reference element and said measurement element in a common confined space for direct fluid communication therebetween wherein said reference element and said measurement element are disposed in one end of a housing member, a disk having an upper and a lower surface and a slot opening in said lower surface is disposed in said one end of said housing with said reference element and said measurement element being received in said slot and said disk having means for introducing gaseous sample to be tested into said slot whereby said gaseous sample freely communicates with both the said reference element and said measurement element.

  20. METC Combustion Research Facility

    SciTech Connect

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

    1993-11-01

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