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Sample records for hydrocarbon combustion chemistry

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

    Energy Technology Data Exchange (ETDEWEB)

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

    2006-10-15

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

  2. Combustion chemistry

    Energy Technology Data Exchange (ETDEWEB)

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

    1993-12-01

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

  3. Alcohol combustion chemistry

    KAUST Repository

    Sarathy, Mani; Oß wald, Patrick; Hansen, Nils; Kohse-Hö inghaus, Katharina

    2014-01-01

    . While biofuel production and its use (especially ethanol and biodiesel) in internal combustion engines have been the focus of several recent reviews, a dedicated overview and summary of research on alcohol combustion chemistry is still lacking. Besides

  4. Alcohol combustion chemistry

    KAUST Repository

    Sarathy, Mani

    2014-10-01

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

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

    Energy Technology Data Exchange (ETDEWEB)

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

    1998-12-31

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

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

    Energy Technology Data Exchange (ETDEWEB)

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

    1997-12-31

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

  7. Sulfur Chemistry in Combustion I

    DEFF Research Database (Denmark)

    Johnsson, Jan Erik; Glarborg, Peter

    2000-01-01

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

  8. George A. Olah, Carbocation and Hydrocarbon Chemistry

    Science.gov (United States)

    dropdown arrow Site Map A-Z Index Menu Synopsis George A. Olah, Carbocation and Hydrocarbon Chemistry George Olah received the 1994 Nobel Prize in Chemistry "for his contribution to carbocation chemistry" and his 'role in the chemistry of hydrocarbons. In particular, he developed superacids

  9. Emissions of hydrocarbons from combustion of biofuels

    International Nuclear Information System (INIS)

    Olsson, Mona; Persson, Eva Marie.

    1991-10-01

    Evaluations and measurements of emissions of hydrocarbons from power plants with a capacity exceeding 1 MW using biofuels (wood fuels and peat) have been studied in order to identify and quantify the emissions of incompletely combusted hydrocarbons. The influence of the type of fuel and the combustion technology applied were also studied, using literature references. The report summarizes monitoring results from a number of plants using biofuels. The reported emissions from the different plants can not be compared as they are relatively few and the test results have been obtained under various conditions using different methods of testing and analysis. The methods used are often poorly documented in the studied reports. Few investigations of emissions of hydrocarbons from plants in the range of 1 to 10 MW have been carried out. The plant and the technology used are important factors determining the amount and type of emissions of hydrocarbons. Larger temporary emissions can occur during start up, operational disturbances or when using fuel of inhomogeneous quality. In order to minimize the emissions the combustion process must be efficiently controlled, and a fuel of a hohogeneous quality must be used. The report also summarizes sampling and analysis methods used for monitoring emissions of hydrocarbons. (29 refs., 17 figs.)

  10. Modeling nitrogen chemistry in combustion

    DEFF Research Database (Denmark)

    Glarborg, Peter; Miller, James A.; Ruscic, Branko

    2018-01-01

    the accuracy of engineering calculations and thereby the potential of primary measures for NOx control. In this review our current understanding of the mechanisms that are responsible for combustion-generated nitrogen-containing air pollutants is discussed. The thermochemistry of the relevant nitrogen...... via NNH or N2O are discussed, along with the chemistry of NO removal processes such as reburning and Selective Non-Catalytic Reduction of NO. Each subset of the mechanism is evaluated against experimental data and the accuracy of modeling predictions is discussed....

  11. High Pressure Preignition Chemistry of Hydrocarbons and Hydrocarbon Mixtures

    National Research Council Canada - National Science Library

    Cernansky, N.P

    1998-01-01

    .... The research program entailed mechanistic studies examining the oxidation chemistry of single-component hydrocarbons and ignition studies examining the overall ignition of pure single component fuels and fuel blends...

  12. Study of Combustion Characteristics of Hydrocarbon Nanofuel Droplets

    Science.gov (United States)

    2017-08-23

    NUMBER (Include area code) 23 August 2017 Briefing Charts 01 August 2017 - 31 August 2017 Study of Combustion Characteristics of Hydrocarbon...Douglas Talley N/A 1 Study of Combustion Characteristics of Hydrocarbon Nanofuel Droplets DISTRIBUTION STATEMENT A. Approved for public release...Angeles ϯAir Force Research Laboratory, Aerospace Systems Directorate, Combustion Devices Group, Edwards AFB, CA ONR/ARO/AFOSR Meeting, 23 Aug., 2017

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

    Energy Technology Data Exchange (ETDEWEB)

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

    2017-05-15

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

  14. Sulfur Chemistry in Combustion II

    DEFF Research Database (Denmark)

    Johnsson, Jan Erik; Kiil, Søren

    2000-01-01

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

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

    Science.gov (United States)

    2016-07-30

    flames," Physics of Fluids , vol. 7, no. 6, pp. 1447-54, 1995. [8] K. Lyons, " Toward an understanding of the stabilization mechanisms of lifted...Experimental Studies of Hydrocarbon Flame Phenomena: Enabling Combustion Control This report summarizes the research accomplished in the project...34Experimental Studies of Hydrocarbon Flame Phenomena: Enabling Combustion Control". The main areas of activity are: a) electrostatic flame and flow

  16. Combustion

    CERN Document Server

    Glassman, Irvin

    1997-01-01

    This Third Edition of Glassman's classic text clearly defines the role of chemistry, physics, and fluid mechanics as applied to the complex topic of combustion. Glassman's insightful introductory text emphasizes underlying physical and chemical principles, and encompasses engine technology, fire safety, materials synthesis, detonation phenomena, hydrocarbon fuel oxidation mechanisms, and environmental considerations. Combustion has been rewritten to integrate the text, figures, and appendixes, detailing available combustion codes, making it not only an excellent introductory text but also an important reference source for professionals in the field. Key Features * Explains complex combustion phenomena with physical insight rather than extensive mathematics * Clarifies postulates in the text using extensive computational results in figures * Lists modern combustion programs indicating usage and availability * Relates combustion concepts to practical applications.

  17. Combustion chemistry - activities in the CHEK research programme

    Energy Technology Data Exchange (ETDEWEB)

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

    1997-10-01

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

  18. Ab initio quantum chemistry for combustion

    International Nuclear Information System (INIS)

    Page, M.; Lengsfield, B.H.

    1991-01-01

    Advances in theoretical and computational methods, coupled with the rapid development of powerful and inexpensive computers, fuel the current rapid development in computational quantum chemistry (QC). Nowhere is this more evident than in the areas of QC most relevant to combustion: the description of bond breaking and rate phenomena. although the development of faster computers with larger memories has had a major impact on the scope of problems that can be addressed with QC, the development of new theoretical techniques and capabilities is responsible for adding new dimensions in QC and has paved the way for the unification of QC electronic structure calculations with statistical and dynamical models of chemical reactions. These advances will be stressed in this chapter. This paper describes past accomplishments selectively to set the stage for discussion of ideas or techniques that we believe will have significant impact on combustion research. Thus, the focus of the chapter is as much on the future as it is on the past

  19. Chemical Kinetics of Hydrocarbon Ignition in Practical Combustion Systems

    International Nuclear Information System (INIS)

    Westbrook, C.K.

    2000-01-01

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

  20. Combustion chemistry. Activities in the CHEC research programme

    Energy Technology Data Exchange (ETDEWEB)

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

    1996-12-01

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

  1. Chemistry and radiation in oxy-fuel combustion

    DEFF Research Database (Denmark)

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

    2011-01-01

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

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

    Energy Technology Data Exchange (ETDEWEB)

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

    1981-03-01

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

  3. Plasma Assisted Combustion Mechanism for Small Hydrocarbons

    Science.gov (United States)

    2015-01-01

    fast ionization wave. Combust.  Theory Modeling, 2001. V.5 pp.97‐129.  N.A.Popov. Effect of a  Pulsed  High‐Current  Discharge  on Hydrogen–Air  Mixtures... Discharge Tube Mono- chro- mator PM Pressure Gauge Electric Gauge Physics of Nonequilibrium  Systems Laboratory Hexane Oxidation by  Pulsed  Nanosecond...Pathways: C2H4‐air  Where PAC Experimental Data is Available Avalanche  to Streamer Transition in Uniform  Electric Field (air, 1 bar, 300 K, 1 cm

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

    Energy Technology Data Exchange (ETDEWEB)

    NONE

    1996-12-31

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

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

    CERN Document Server

    Liberman, Michael A

    2008-01-01

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

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

    DEFF Research Database (Denmark)

    Løj, Lusi Hindiyarti

    2007-01-01

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

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

    International Nuclear Information System (INIS)

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

    2001-01-01

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

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

    Science.gov (United States)

    Chien, Y C; Yang, S H

    2013-01-01

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

  9. DFT studies of hydrocarbon combustion on metal surfaces.

    Science.gov (United States)

    Arya, Mina; Mirzaei, Ali Akbar; Davarpanah, Abdol Mahmood; Barakati, Seyed Masoud; Atashi, Hossein; Mohsenzadeh, Abas; Bolton, Kim

    2018-02-02

    Catalytic combustion of hydrocarbons is an important technology to produce energy. Compared to conventional flame combustion, the catalyst enables this process to operate at lower temperatures; hence, reducing the energy required for efficient combustion. The reaction and activation energies of direct combustion of hydrocarbons (CH → C + H) on a series of metal surfaces were investigated using density functional theory (DFT). The data obtained for the Ag, Au, Al, Cu, Rh, Pt, and Pd surfaces were used to investigate the validity of the Brønsted-Evans-Polanyi (BEP) and transition state scaling (TSS) relations for this reaction on these surfaces. These relations were found to be valid (R 2  = 0.94 for the BEP correlation and R 2  = 1.0 for the TSS correlation) and were therefore used to estimate the energetics of the combustion reaction on Ni, Co, and Fe surfaces. It was found that the estimated transition state and activation energies (E TS  = -69.70 eV and E a  = 1.20 eV for Ni, E TS  = -87.93 eV and E a  = 1.08 eV for Co and E TS  = -92.45 eV and E a  = 0.83 eV for Fe) are in agreement with those obtained by DFT calculations (E TS  = -69.98 eV and E a  = 1.23 eV for Ni, E TS  = -87.88 eV and E a  = 1.08 eV for Co and E TS  = -92.57 eV and E a  = 0.79 eV for Fe). Therefore, these relations can be used to predict energetics of this reaction on these surfaces without doing the time consuming transition state calculations. Also, the calculations show that the activation barrier for CH dissociation decreases in the order Ag ˃ Au ˃ Al ˃ Cu ˃ Pt ˃ Pd ˃ Ni > Co > Rh > Fe.

  10. Hybrid energy converter based on swirling combustion chambers: the hydrocarbon feeding analysis

    Directory of Open Access Journals (Sweden)

    Angelo Minotti

    2017-05-01

    Full Text Available This manuscript reports the latest investigations about a miniaturized hybrid energy power source, compatible with thermal/electrical conversion, by a thermo-photovoltaic cell, and potentially useful for civil and space applications. The converter is a thermally-conductive emitting parallelepiped element and the basic idea is to heat up its emitting surfaces by means of combustion, occurred in swirling chambers, integrated inside the device, and/or by the sun, which may work simultaneously or alternatively to the combustion. The current upgrades consist in examining whether the device might fulfill specific design constraints, adopting hydrocarbons-feeding. Previous papers, published by the author, demonstrate the hydrogen-feeding effectiveness. The project’s constraints are: 1 emitting surface dimensions fixed to 30 × 30 mm, 2 surface peak temperature T > 1000 K and the relative ∆T < 100 K (during the combustion mode, 3 the highest possible delivered power to the ambient, and 4 thermal efficiency greater than 20% when works with solar energy. To this end, a 5 connected swirling chambers configuration (3 mm of diameter, with 500 W of injected chemical power, stoichiometric conditions and detailed chemistry, has been adopted. Reactive numerical simulations show that the stiff methane chemical structure obliges to increase the operating pressure, up to 10 atm, and to add hydrogen, to the methane fuel injection, in order to obtain stable combustion and efficient energy conversion.

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

    Energy Technology Data Exchange (ETDEWEB)

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

    2017-02-24

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

  12. Quantitative laser diagnostic and modeling study of C2 and CH chemistry in combustion.

    Science.gov (United States)

    Köhler, Markus; Brockhinke, Andreas; Braun-Unkhoff, Marina; Kohse-Höinghaus, Katharina

    2010-04-15

    Quantitative concentration measurements of CH and C(2) have been performed in laminar, premixed, flat flames of propene and cyclopentene with varying stoichiometry. A combination of cavity ring-down (CRD) spectroscopy and laser-induced fluorescence (LIF) was used to enable sensitive detection of these species with high spatial resolution. Previously, CH and C(2) chemistry had been studied, predominantly in methane flames, to understand potential correlations of their formation and consumption. For flames of larger hydrocarbon fuels, however, quantitative information on these small intermediates is scarce, especially under fuel-rich conditions. Also, the combustion chemistry of C(2) in particular has not been studied in detail, and although it has often been observed, its role in potential build-up reactions of higher hydrocarbon species is not well understood. The quantitative measurements performed here are the first to detect both species with good spatial resolution and high sensitivity in the same experiment in flames of C(3) and C(5) fuels. The experimental profiles were compared with results of combustion modeling to reveal details of the formation and consumption of these important combustion molecules, and the investigation was devoted to assist the further understanding of the role of C(2) and of its potential chemical interdependences with CH and other small radicals.

  13. Ash chemistry and behavior in advanced co-combustion

    Energy Technology Data Exchange (ETDEWEB)

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

    1997-10-01

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

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

    Science.gov (United States)

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

    2017-05-01

    Emissions from flares constitute unburned hydrocarbons, carbon monoxide (CO), soot, and other partially burned and altered hydrocarbons along with carbon dioxide (CO 2 ) and water. Soot or visible smoke is of particular concern for flare operators/regulatory agencies. The goal of the study is to develop a computational fluid dynamics (CFD) model capable of predicting flare combustion efficiency (CE) and soot emission. Since detailed combustion mechanisms are too complicated for (CFD) application, a 50-species reduced mechanism, LU 3.0.1, was developed. LU 3.0.1 is capable of handling C 4 hydrocarbons and soot precursor species (C 2 H 2 , C 2 H 4 , C 6 H 6 ). The new reduced mechanism LU 3.0.1 was first validated against experimental performance indicators: laminar flame speed, adiabatic flame temperature, and ignition delay. Further, CFD simulations using LU 3.0.1 were run to predict soot emission and CE of air-assisted flare tests conducted in 2010 in Tulsa, Oklahoma, using ANSYS Fluent software. Results of non-premixed probability density function (PDF) model and eddy dissipation concept (EDC) model are discussed. It is also noteworthy that when used in conjunction with the EDC turbulence-chemistry model, LU 3.0.1 can reasonably predict volatile organic compound (VOC) emissions as well. A reduced combustion mechanism containing 50 C 1 -C 4 species and soot precursors has been developed and validated against experimental data. The combustion mechanism is then employed in the computational fluid dynamics (CFD) of modeling of soot emission and combustion efficiency (CE) of controlled flares for which experimental soot and CE data are available. The validated CFD modeling tools are useful for oil, gas, and chemical industries to comply with U.S. Environmental Protection Agency's (EPA) mandate to achieve smokeless flaring with a high CE.

  15. Nitrogen chemistry in combustion and gasification - mechanisms and modeling

    International Nuclear Information System (INIS)

    Kilpinen, P.; Hupa, M.

    1998-01-01

    The objective of this work has been to increase the understanding of the complex details of gaseous emission formation in energy production techniques based on combustion and/or gasification. The aim has also been to improve the accuracy of mathematical furnace models when they are used for predicting emissions. The main emphasis has been on nitrogen oxides (NO x , N 2 O). The work supports development of cleaner and more efficient combustion technology. The main emphasis has been on combustion systems that are based on fluidized bed technology including both atmospheric and pressurized conditions (BFBC, CFBC, PFBC/G). The work has consisted of advanced theoretical modeling and of experiments in laboratory devices that have partly been made in collaboration with other LIEKKI projects. Two principal modeling tools have been used: detailed homogeneous chemical kinetic modeling and computational fluid dynamic simulation. In this report, the most important results of the following selected items will be presented: (1) Extension of a detailed kinetic nitrogen and hydrocarbon oxidation mechanism into elevated pressure, and parametric studies on: effect of pressure on fuel-nitrogen oxidation under PFBC conditions, effect of pressure on selective non-catalytic NO x reduction under PFBC conditions, effect of different oxidizers on hot-gas cleaning of ammonia by means of selective oxidation in gasification gas. (2) Extension of the above mechanism to include chlorine reactions at atmospheric pressure, and parametric studies on: effect of HCl on CO burn-out in FBC combustion of waste. (3) Development of more accurate emission prediction models: incorporation of more accurate submodels on hydrocarbon oxidation into CFD furnace models, and evaluation of different concepts describing the interaction between turbulence and chemical reaction, development of a mechanistic detailed 1.5-dimensional emission model for circulating fluidized bed combustors. (orig.) 14 refs

  16. Progress Toward Analytic Predictions of Supersonic Hydrocarbon-Air Combustion: Computation of Ignition Times and Supersonic Mixing Layers

    Science.gov (United States)

    Sexton, Scott Michael

    Combustion in scramjet engines is faced with the limitation of brief residence time in the combustion chamber, requiring fuel and preheated air streams to mix and ignite in a matter of milliseconds. Accurate predictions of autoignition times are needed to design reliable supersonic combustion chambers. Most efforts in estimating non-premixed autoignition times have been devoted to hydrogen-air mixtures. The present work addresses hydrocarbon-air combustion, which is of interest for future scramjet engines. Computation of ignition in supersonic flows requires adequate characterization of ignition chemistry and description of the flow, both of which are derived in this work. In particular, we have shown that activation energy asymptotics combined with a previously derived reduced chemical kinetic mechanism provides analytic predictions of autoignition times in homogeneous systems. Results are compared with data from shock tube experiments, and previous expressions which employ a fuel depletion criterion. Ignition in scramjet engines has a strong dependence on temperature, which is found by perturbing the chemically frozen mixing layer solution. The frozen solution is obtained here, accounting for effects of viscous dissipation between the fuel and air streams. We investigate variations of thermodynamic and transport properties, and compare these to simplified mixing layers which neglect these variations. Numerically integrating the mixing layer problem reveals a nonmonotonic temperature profile, with a peak occurring inside the shear layer for sufficiently high Mach numbers. These results will be essential in computation of ignition distances in supersonic combustion chambers.

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

    KAUST Repository

    Sarathy, Mani

    2014-06-01

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

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

    KAUST Repository

    Sarathy, Mani; Javed, Tamour; Karsenty, Florent; Heufer, Alexander; Wang, Weijing; Park, Sungwoo; Elwardani, Ahmed Elsaid; Farooq, Aamir; Westbrook, Charles K.; Pitz, William J.; Oehlschlaeger, Matthew A.; Dayma, Guillaume; Curran, Henry J.; Dagaut, P.

    2014-01-01

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

  19. Combustion Chamber Fluid Dynamics and Hypergolic Gel Propellant Chemistry Simulations for Selectable Thrust Rocket Engines

    National Research Council Canada - National Science Library

    Nusca, Michael J; Chen, Chiung-Chu; McQuaid, Michael J

    2007-01-01

    .... Computational fluid dynamics is employed to model the chemically reacting flow within a system's combustion chamber, and computational chemistry is employed to characterize propellant physical and reactive properties...

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

    Science.gov (United States)

    Abdul Sater, Hassan A.

    To account for the thermal and chemical effects associated with the high CO2 concentrations in an oxy-combustion atmosphere, several refined gas-phase chemistry and radiative property models have been formulated for laminar to highly turbulent systems. This thesis examines the accuracies of several chemistry and radiative property models employed in computational fluid dynamic (CFD) simulations of laminar to transitional oxy-methane diffusion flames by comparing their predictions against experimental data. Literature review about chemistry and radiation modeling in oxy-combustion atmospheres considered turbulent systems where the predictions are impacted by the interplay and accuracies of the turbulence, radiation and chemistry models. Thus, by considering a laminar system we minimize the impact of turbulence and the uncertainties associated with turbulence models. In the first section of this thesis, an assessment and validation of gray and non-gray formulations of a recently proposed weighted-sum-of-gray gas model in oxy-combustion scenarios was undertaken. Predictions of gas, wall temperatures and flame lengths were in good agreement with experimental measurements. The temperature and flame length predictions were not sensitive to the radiative property model employed. However, there were significant variations between the gray and non-gray model radiant fraction predictions with the variations in general increasing with decrease in Reynolds numbers possibly attributed to shorter flames and steeper temperature gradients. The results of this section confirm that non-gray model predictions of radiative heat fluxes are more accurate than gray model predictions especially at steeper temperature gradients. In the second section, the accuracies of three gas-phase chemistry models were assessed by comparing their predictions against experimental measurements of temperature, species concentrations and flame lengths. The chemistry was modeled employing the Eddy

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

    International Nuclear Information System (INIS)

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

    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 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 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

  2. Empirically Estimated Heats of Combustion of Oxygenated Hydrocarbon Bio-type Oils

    Directory of Open Access Journals (Sweden)

    Dmitry A. Ponomarev

    2015-04-01

    Full Text Available An empirical method is proposed by which the heats of combustion of oxygenated hydrocarbon oils, typically found from wood pyrolysis, may be calculated additively from empirically predicted heats of combustion of individual compounds. The predicted values are in turn based on four types of energetically inequivalent carbon and four types of energetically inequivalent hydrogen atomic energy values. A method is also given to estimate the condensation heats of oil mixtures based on the presence of four types of intermolecular forces. Agreement between predicted and experimental values of combustion heats for a typical mixture of known compounds was ± 2% and < 1% for a freshly prepared mixture of known compounds.

  3. Combustion

    CERN Document Server

    Glassman, Irvin

    2008-01-01

    Combustion Engineering, a topic generally taught at the upper undergraduate and graduate level in most mechanical engineering programs, and many chemical engineering programs, is the study of rapid energy and mass transfer usually through the common physical phenomena of flame oxidation. It covers the physics and chemistry of this process and the engineering applications-from the generation of power such as the internal combustion automobile engine to the gas turbine engine. Renewed concerns about energy efficiency and fuel costs, along with continued concerns over toxic and particulate emissions have kept the interest in this vital area of engineering high and brought about new developments in both fundamental knowledge of flame and combustion physics as well as new technologies for flame and fuel control. *New chapter on new combustion concepts and technologies, including discussion on nanotechnology as related to combustion, as well as microgravity combustion, microcombustion, and catalytic combustion-all ...

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

    Science.gov (United States)

    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.

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

    Energy Technology Data Exchange (ETDEWEB)

    Hansen, Nils; Miller, James A. [Combustion Research Facility, Sandia National Laboratories, Livermore, CA 94551 (United States); Westmoreland, Phillip R. [Department of Chem. Engineering, University of Massachusetts, Amherst, MA 01003 (United States); Kasper, Tina [Combustion Research Facility, Sandia National Laboratories, Livermore, CA 94551 (United States); Department of Chemistry, Bielefeld University, D-33615 Bielefeld (Germany); Kohse-Hoeinghaus, Katharina [Department of Chemistry, Bielefeld University, D-33615 Bielefeld (Germany); Wang, Juan; Cool, Terrill A. [School of Applied and Engineering Physics, Cornell University, Ithaca, NY 14853 (United States)

    2009-11-15

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

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

    Energy Technology Data Exchange (ETDEWEB)

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

    1997-10-01

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

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

    Energy Technology Data Exchange (ETDEWEB)

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

    1993-12-01

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

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

    Energy Technology Data Exchange (ETDEWEB)

    Froelund, K.

    1997-11-01

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

  9. Combustion of High Molecular Weight Hydrocarbon Fuels and JP-8 at Moderate Pressures

    Science.gov (United States)

    2016-07-26

    1. Introduction Fundamental knowledge of mechanisms of autoignition of condensed hydrocarbon fuels at elevated pressures is essential for accurate...particular JP-8) and surrogates of jet-fuels in laminar non-uniform flows at elevated pressures upto 2.5 MPa. Experimental and kinetic modeling studies...AGENCY NAME(S) AND ADDRESS (ES) U.S. Army Research Office P.O. Box 12211 Research Triangle Park, NC 27709-2211 Combustion, Jet Fuels, JP-8, Elevated

  10. Recent contributions of flame-sampling molecular-beam mass spectrometry to a fundamental understanding of combustion chemistry

    Energy Technology Data Exchange (ETDEWEB)

    Hansen, Nils [Combustion Research Facility, Sandia National Laboratories, Livermore, CA 94551 (United States); Cool, Terrill A. [School of Applied and Engineering Physics, Cornell University, Ithaca, NY 14853 (United States); Westmoreland, Phillip R. [Department of Chemical Engineering, University of Massachusetts, Amherst, MA 01003 (United States); Kohse-Hoeinghaus, Katharina [Department of Chemistry, Bielefeld University, D-33615 Bielefeld (Germany)

    2009-04-15

    Flame-sampling molecular-beam mass spectrometry of premixed, laminar, low-pressure flat flames has been demonstrated to be an efficient tool to study combustion chemistry. In this technique, flame gases are sampled through a small opening in a quartz probe, and after formation of a molecular beam, all flame species are separated using mass spectrometry. The present review focuses on critical aspects of the experimental approach including probe sampling effects, different ionization processes, and mass separation procedures. The capability for isomer-resolved flame species measurements, achievable by employing tunable vacuum-ultraviolet radiation for single-photon ionization, has greatly benefited flame-sampling molecular-beam mass spectrometry. This review also offers an overview of recent combustion chemistry studies of flames fueled by hydrocarbons and oxygenates. The identity of a variety of intermediates in hydrocarbon flames, including resonantly stabilized radicals and closed-shell intermediates, is described, thus establishing a more detailed understanding of the fundamentals of molecular-weight growth processes. Finally, molecular-beam mass-spectrometric studies of reaction paths in flames of alcohols, ethers, and esters, which have been performed to support the development and validation of kinetic models for bio-derived alternative fuels, are reviewed. (author)

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

    Science.gov (United States)

    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.

  12. A small porous-plug burner for studies of combustion chemistry and soot formation

    Science.gov (United States)

    Campbell, M. F.; Schrader, P. E.; Catalano, A. L.; Johansson, K. O.; Bohlin, G. A.; Richards-Henderson, N. K.; Kliewer, C. J.; Michelsen, H. A.

    2017-12-01

    We have developed and built a small porous-plug burner based on the original McKenna burner design. The new burner generates a laminar premixed flat flame for use in studies of combustion chemistry and soot formation. The size is particularly relevant for space-constrained, synchrotron-based X-ray diagnostics. In this paper, we present details of the design, construction, operation, and supporting infrastructure for this burner, including engineering attributes that enable its small size. We also present data for charactering the flames produced by this burner. These data include temperature profiles for three premixed sooting ethylene/air flames (equivalence ratios of 1.5, 1.8, and 2.1); temperatures were recorded using direct one-dimensional coherent Raman imaging. We include calculated temperature profiles, and, for one of these ethylene/air flames, we show the carbon and hydrogen content of heavy hydrocarbon species measured using an aerosol mass spectrometer coupled with vacuum ultraviolet photoionization (VUV-AMS) and soot-volume-fraction measurements obtained using laser-induced incandescence. In addition, we provide calculated mole-fraction profiles of selected gas-phase species and characteristic profiles for seven mass peaks from AMS measurements. Using these experimental and calculated results, we discuss the differences between standard McKenna burners and the new miniature porous-plug burner introduced here.

  13. Flame Dynamics and Chemistry in LRE Combustion Instability

    Science.gov (United States)

    2016-12-22

    negative temperature coefficient phenomenon and engine knock. In this work, the coupling of cool flame chemistry and convective– diffusive transport...note, practical engine conditions are highly turbulent, and the autoignition phenomenon depends on both chemistry and turbulent mixing. For example...negative temperature coefficient (NTC) phenomenon and engine knock. In this work, the coupling of cool flame chemistry and convective–diffusive

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

    KAUST Repository

    Lucassen, Arnas; Park, Sungwoo; Hansen, Nils; Sarathy, Mani

    2014-01-01

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

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

    KAUST Repository

    Lucassen, Arnas

    2014-06-14

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

  16. Nitrogen Chemistry in Fluidized Bed Combustion of Coal

    DEFF Research Database (Denmark)

    Jensen, Anker Degn

    and reduction by homogeneous and heterogeneous reactions. The data for the estimation of kinetics of the heterogeneous reactions were measured by one of the partners in the project for char and bed material sampled from a pressurized FBC pilot plant burning Kiveton Park coal. Experimental data from the pilot...... plant were used for model verification. The simulations of the NO emission during staged combustion and NH3 injection for NO reduction were in qualitative agreement with the experimental data. A parametric study of the influence of operating conditions on the conversion of fuel-N to NO showed......, the gas interchange coefficient, the bubble size and the bubble rise velocity. The most important combustion parameters were the rate of CO and CH4 combustion and the fraction of CO produced from char combustion. By using a rate of production analysis, the important reactions in the NO model were...

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

    Science.gov (United States)

    Hunt, C. B.

    1979-01-01

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

  18. The effect of the composition of hydrocarbon streams on physical properties and HCCI combustion performance

    Energy Technology Data Exchange (ETDEWEB)

    Gieleciak, R. [National Centre for Upgrading Technology, Devon, AB (Canada); Natural Resources Canada, Devon, AB (Canada). CanmetENERGY

    2009-07-01

    Advanced combustion engines have been developed in tandem with evolving fuels and combustion strategies. Advanced analytical methods such as NMR and two dimensional gas chromatography (2D-GC) are also becoming both more powerful and easier to use. Statistical analysis can be used to link the very complex fuel analysis data sets from these methods to fuel chemistry, fuel properties and engine performance. This poster highlighted a study that applied an advanced statistical analysis technique to 2D-GC data for 17 oil sands derived fuels and correlated results to measured fuel chemical/physical properties, and then to HCCI engine performance. In the HCCI mode, ignition occurs by compression of the homogeneous fuel/air mixture. Advanced combustion strategies must satisfy the need for high efficiency, low emissions, and drivability. The 2D-GC was shown to be an emerging analytical technique which separates compounds in fuels to enable the identification of individual compounds and group compounds by chemistry and boiling points. The Q(2d)RPR technique allows correlations to be developed between the 2D-GC data and fuel chemical / physical properties and engine performance data. tabs., figs.

  19. Phenomenological modeling of combustion and NOx emissions using detailed tabulated chemistry methods in diesel engines

    OpenAIRE

    Rezaei, R.; Dinkelacker, F.; Tilch, B.; Delebinski, T.; Brauer, M.

    2016-01-01

    Enhancing the predictive quality of engine models, while maintaining an affordable computational cost, is of great importance. In this study, a phenomenological combustion and a tabulated NOx model, focusing on efficient modeling and improvement of computational effort, is presented. The proposed approach employs physical and chemical sub-models for local processes such as injection, spray formation, ignition, combustion, and NOx formation, being based on detailed tabulated chemistry methods....

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

    NARCIS (Netherlands)

    Bakes, ELO; Tielens, AGGM

    1998-01-01

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

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

    Science.gov (United States)

    Inner London Education Authority (England).

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

  2. Ammonia chemistry in oxy-fuel combustion of methane

    DEFF Research Database (Denmark)

    Mendiara, Teresa; Glarborg, Peter

    2009-01-01

    The oxidation of NH3 during oxy-fuel combustion of methane, i.e., at high [CO2], has been studied in a flow reactor. The experiments covered stoichiometries ranging from fuel rich to very fuel lean and temperatures from 973 to 1773 K. The results have been interpreted in terms of an updated detai...

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

    Energy Technology Data Exchange (ETDEWEB)

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

    2014-07-01

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

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

    Science.gov (United States)

    Rothamer, David A; Donohue, Timothy J

    2013-06-01

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

  5. New approaches for description of nitrogen chemistry in combustion

    Energy Technology Data Exchange (ETDEWEB)

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

    1996-12-01

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

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

    DEFF Research Database (Denmark)

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

    2011-01-01

    , heating and devolatilization of particles, and gas–solid reactions. The model is validated by comparison with entrained flow reactor results from the present work and from the literature on pulverized coal combustion in O2/CO2 and air, covering the effects of fuel, mixing conditions, temperature......In this work, a model for the nitrogen chemistry in the oxy-fuel combustion of pulverized coal has been developed. The model is a chemical reaction engineering type of model with a detailed reaction mechanism for the gas-phase chemistry, together with a simplified description of the mixing of flows......, stoichiometry, and inlet NO level. In general, the model provides a satisfactory description of NO formation in air and oxy-fuel combustion of coal, but under some conditions, it underestimates the impact on NO of replacing N2 with CO2. According to the model, differences in the NO yield between the oxy...

  7. Nitrogen Chemistry During Burnout in Fuel-Staged Combustion

    DEFF Research Database (Denmark)

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

    1996-01-01

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

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

    Science.gov (United States)

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

    2012-06-05

    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.

  9. Polycyclic aromatic hydrocarbons and organic matter associated to particulate matter emitted from atmospheric fluidized bed coal combustion

    International Nuclear Information System (INIS)

    Mastral, A.M.; Callen, M.S.; Garcia, T.

    1999-01-01

    The polycyclic aromatic hydrocarbons (PAH) and the organic matter (OM) content associated with particulate matter (PM) emissions from atmospheric fluidized bed coal combustion have been studied. The two main aims of the work have been (a) to study OM and PAH emissions as a function of the coal fluidized bed combustion (FBC) variables in solid phase and (b) to check if there is any correlation between OM and PAH contained in the PM. The combustion was carried out in a laboratory scale plant at different combustion conditions: temperature, percentage of oxygen excess, and total air flow. PAH associated on the particulate matter have been analyzed by fluorescence spectroscopy in the synchronous mode (FS) after PM extraction by sonication with dimethylformamide (DMF). It can be concluded that there is not a direct relationship between the OM content and the PAH supported in the PM emitted. In addition, neither PM or OM show dependence between themselves

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

    KAUST Repository

    Rachidi, Mariam El

    2017-06-23

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

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

    KAUST Repository

    Rachidi, Mariam El; Mehl, Marco; Pitz, William J.; Mohamed, Samah; Sarathy, Mani

    2017-01-01

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

  12. The effect of increase in humidity on the size and activity distributions of radon progeny laden aerosols from hydrocarbon combustion

    International Nuclear Information System (INIS)

    Khan, Atika; Phillips, C.R.

    1988-01-01

    The effects of a humidity increase on the distributions of aerosol size and activity for hydrocarbon combustion aerosols laden with radon progeny were determined. Pre-humidification aerosol conditions were 20 0 C and 35% RH. Post-humidification aerosol conditions were 37 0 C and 100% RH, intended to simulate conditions in the human respiratory tract. Using kerosene combustion aerosols, a growth factor of 1.3 ± 0.2 (standard deviation) was found for both the aerosol median diameter and the activity median diameter. (author)

  13. The internal combustion engine; a simple solution for pollution from petroleum hydrocarbons

    International Nuclear Information System (INIS)

    Johnson, G.A.

    1992-01-01

    The internal combustion (IC) engine is an indirect cause of groundwater and soil contamination from petroleum hydrocarbons. Leaking underground storage tank systems that are used to store and distribute fuel for automobiles are a major cause of environmental degradation. That same IC engine which has indirectly caused the pollution is an excellent tool for cleaning up environmental contamination from petroleum releases. An extremely flexible clean-up system using an IC engine was designed, constructed and operated to recover free product, treat contaminated soil and remediate groundwater pollution. The treatment system uses the IC engine for vapor extraction, groundwater pumping, spray aeration and incineration. The IC engine is an excellent incinerator. The petroleum vapors are burned in the IC engine with a supplemental propane fuel. The engine drives a power-takeoff unit and provides energy for an air compressor, water pump, electrical generation and other accessories. Using waste to energy methods multiple techniques are being used in combination with different treatment technologies to optimize the remediation. As the remediation progresses the treatment system can be modified to use additional techniques. Another benefit that is directly associated with the IC engine is the presence of excess heat which is helpful in northern climates. The excess heat has many uses including spray aeration and enhanced biological remediation. The IC engine has several limitations and requires an understanding of the physical and chemical properties of the contamination. As with all environmental remediation, a proper understanding of the Hydrogeological System is critical. When properly applied the IC engine has many advantages over other methods of remediation for petroleum hydrocarbons

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

    CERN Document Server

    2000-01-01

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

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

    Energy Technology Data Exchange (ETDEWEB)

    Ekoto, Isaac W.; Barlow, Robert S.

    2012-12-01

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

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

    Energy Technology Data Exchange (ETDEWEB)

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

    2008-11-13

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

  17. Study on the combustion and hydrocarbon emission characteristics of direct injection spark-ignition engines during the direct-start process

    International Nuclear Information System (INIS)

    Shi, Lei; Xiao, Maoyu; Deng, Kangyao

    2015-01-01

    Highlights: • Mixture concentration in first-combustion cylinder of direct start is measured. • Factors that affect direct start performances are investigated. • Combustion characteristics of first-combustion cylinder are analyzed. • Hydrocarbon emission is considered to determined control strategies of direct start. - Abstract: This study was conducted to investigate the combustion and emissions characteristics of the first-combustion cylinder in a direct-start process. The explosive energy of the first combustion is important for the success of a direct start, but this combustion was rarely addressed in recent research. For a 2.0 L direct-injection spark-ignition engine, the in-cylinder mixture concentration, cylinder pressure, engine speed and exhaust hydrocarbon concentration were detected to analyze the fuel evaporation, combustion, engine movement and engine emissions, respectively. In the first-combustion cylinder of the direct-start process, the injected fuel was often enriched to ensure that an appropriate mixture concentration was obtained for ignition without misfiring. Approximately one-third of the injected fuel would not participate in the combustion process and would therefore reduce the exhaust hydrocarbon emissions. The start position determined the amount of the total explosive energy in the first-combustion cylinder, and an optimal start position for a direct start was found to be at a 70–80° crank angle before the top dead center to obtain a better combustion performance and lower emissions. A lower coolant temperature increased the maximum explosion energy of the first combustion, but additional hydrocarbon emissions were generated. Because there was almost no problem in the direct-start capability with different coolant temperatures after an idling stop, it was necessary to maintain the coolant temperature when the engine was stopped

  18. A combustion chemistry analysis of carbonate solvents used in Li-ion batteries

    Energy Technology Data Exchange (ETDEWEB)

    Harris, Stephen J.; Timmons, Adam [General Motors R and D Center, MC 480-102-000, Warren, MI 48090-9055 (United States); Pitz, William J. [Lawrence Livermore National Laboratory, Livermore, CA 94551 (United States)

    2009-09-05

    Under abusive conditions Li-ion cells can rupture, ejecting electrolyte and other flammable gases. In this paper we consider some of the thermochemical and combustion properties of these gases that determine whether they ignite and how energetically they burn. We find a significant variation among the carbonate solvents in the factors that are important to determining flammability, such as combustion enthalpy and vaporization enthalpy. We also show that flames of carbonate solvents are fundamentally less energetic than those of conventional hydrocarbons. An example of this contrast is given using a recently developed mechanism for dimethyl carbonate (DMC) combustion, where we show that a diffusion flame burning DMC has only half the peak heat release rate of an analogous propane flame. Interestingly, peak temperatures differ by only 25%. We argue that heat release rate is a more useful parameter than temperature when evaluating the likelihood that a flame in one cell will ignite a neighboring cell. Our results suggest that thermochemical and combustion property factors might well be considered when choosing solvent mixtures when flammability is a concern. (author)

  19. Emission factors of particulate matter, polycyclic aromatic hydrocarbons, and levoglucosan from wood combustion in south-central Chile.

    Science.gov (United States)

    Jimenez, Jorge; Farias, Oscar; Quiroz, Roberto; Yañez, Jorge

    2017-07-01

    In south-central Chile, wood stoves have been identified as an important source of air pollution in populated areas. Eucalyptus (Eucalyptus globulus), Chilean oak (Nothofagus oblique), and mimosa (Acacia dealbata) were burned in a single-chamber slow-combustion wood stove at a controlled testing facility located at the University of Concepción, Chile. In each experiment, 2.7-3.1 kg of firewood were combusted while continuously monitoring temperature, exhaust gases, burn rate, and collecting particulate matter samples in Teflon filters under isokinetic conditions for polycyclic aromatic hydrocarbon and levoglucosan analyses. Mean particulate matter emission factors were 2.03, 4.06, and 3.84 g/kg dry wood for eucalyptus, oak, and mimosa, respectively. The emission factors were inversely correlated with combustion efficiency. The mean emission factors of the sums of 12 polycyclic aromatic hydrocarbons in particle phases were 1472.5, 2134.0, and 747.5 μg/kg for eucalyptus, oak, and mimosa, respectively. Fluoranthene, pyrene, benzo[a]anthracene, and chrysene were present in the particle phase in higher proportions compared with other polycyclic aromatic hydrocarbons that were analyzed. Mean levoglucosan emission factors were 854.9, 202.3, and 328.0 mg/kg for eucalyptus, oak, and mimosa, respectively. Since the emissions of particulate matter and other pollutants were inversely correlated with combustion efficiency, implementing more efficient technologies would help to reduce air pollutant emissions from wood combustion. Residential wood burning has been identified as a significant source of air pollution in populated areas. Local wood species are combusted for home cooking and heating, which releases several toxic air pollutants, including particulate matter, carbon monoxide, and polycyclic aromatic hydrocarbons. Air pollutant emissions depend on the type of wood and the technology and operational conditions of the wood stove. A better understanding of emissions from

  20. Carrier-doped aromatic hydrocarbons: a new platform in condensed matter chemistry and physics.

    Science.gov (United States)

    Heguri, Satoshi; Tanigaki, Katsumi

    2018-02-27

    High-quality bulk samples of the first four polyacenes, which are naphthalene, anthracene, tetracene, and pentacene, doped with alkali metal in 1 : 1 and 1 : 2 stoichiometries were prepared and their fundamental properties were systematically studied. A new systematic understanding on the electronic states of electron-doped polyacenes sensitive to the energetic balance among on-site Coulomb repulsion, bandwidth and the Peierls instability was provided. The carrier-doped typical aromatic hydrocarbons showed a large variety of properties as well as charge transfer complexes and metal-doped fullerides. We open a new avenue for organometallic and inorganic chemistry.

  1. Emissions of polycyclic aromatic hydrocarbons from the combustion of crude oil on water

    International Nuclear Information System (INIS)

    Benner, B.A. Jr.; Bryner, N. P.; Wise, S.A.; Mulholland, G.W.; Evans, D.D.; Fingas, M.F.; Li, K.

    1991-01-01

    A study was conducted to examine some of the factors necessary to assess the environmental impact of an in-situ burn of an oil spill on water. These factors include the fraction of an oil layer which can be burned, the quantity of smoke emitted, and the concentrations of 18 polycyclic aromatic hydrocarbons (PAHs) in the smoke, crude oil, and burn residue. Alberta sweet mixed blend crude in 1, 3, 5, 10, and 30 mm layers on water was burned in the laboratory and smoke samples were collected at elevated and ambient temperatures and analyzed by two independent laboratories. While burning the crude oil produced less total PAHs than was in the original crude, the concentrations of PAHs with 5 or more rings were 10-20 times greater in the smoke than in the oil. The organic carbon fraction of the smoke was in the 14-21% range. As the fuel layer thickness was increased from 2 to 10 mm, the smoke yield increased from 0.035 g smoke/g fuel and the percentage of oil residue decreased from 46% to 17%. By consuming much of the oil spill and reducing the amount of PAHs in the water, and by dispersing the combustion products over a larger area, in-situ burning can mitigate the local environmental impact of an oil spill. There appears to be a range of situations, such as in Arctic ice fields, where in-situ burning might be the most viable cleanup method. 25 refs., 6 figs., 6 tabs

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

    Science.gov (United States)

    Pratt, D. T.

    1984-01-01

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

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

    KAUST Repository

    Guerrero Peñ a, Gerardo D.J.; Alrefaai, Mhd Maher; Yang, Seung Yeon; Raj, Abhijeet; Brito, Joaquin L.; Stephen, Samuel; Anjana, Tharalekshmy; Pillai, Vinu; Al Shoaibi, Ahmed; Chung, Suk-Ho

    2016-01-01

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

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

    KAUST Repository

    Guerrero Peña, Gerardo D.J.

    2016-07-23

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

  5. THE ROLE OF NITROGEN IN TITAN’S UPPER ATMOSPHERIC HYDROCARBON CHEMISTRY OVER THE SOLAR CYCLE

    Energy Technology Data Exchange (ETDEWEB)

    Luspay-Kuti, A.; Mandt, K. E.; Greathouse, T. K. [Department of Space Research, Southwest Research Institute, San Antonio, TX 78228 (United States); Westlake, J. H. [Johns Hopkins University Applied Physics Laboratory, Laurel, MD 20723 (United States); Plessis, S., E-mail: aluspaykuti@swri.edu [Fund Kis, F-92160 Antony (France)

    2016-06-01

    Titan’s thermospheric photochemistry is primarily driven by solar radiation. Similarly to other planetary atmospheres, such as Mars’, Titan’s atmospheric structure is also directly affected by variations in the solar extreme-UV/UV output in response to the 11-year-long solar cycle. Here, we investigate the influence of nitrogen on the vertical production, loss, and abundance profiles of hydrocarbons as a function of the solar cycle. Our results show that changes in the atmospheric nitrogen atomic density (primarily in its ground state N({sup 4}S)) as a result of photon flux variations have important implications for the production of several minor hydrocarbons. The solar minimum enhancement of CH{sub 3}, C{sub 2}H{sub 6}, and C{sub 3}H{sub 8}, despite the lower CH{sub 4} photodissociation rates compared with solar maximum conditions, is explained by the role of N({sup 4}S). N({sup 4}S) indirectly controls the altitude of termolecular versus bimolecular chemical regimes through its relationship with CH{sub 3}. When in higher abundance during solar maximum at lower altitudes, N({sup 4}S) increases the importance of bimolecular CH{sub 3} + N({sup 4}S) reactions producing HCN and H{sub 2}CN. The subsequent remarkable CH{sub 3} loss and decrease in the CH{sub 3} abundance at lower altitudes during solar maximum affects the overall hydrocarbon chemistry.

  6. Combustion Research Facility | A Department of Energy Office of Science

    Science.gov (United States)

    Collaborative Research Facility Back to Sandia National Laboratory Homepage Combustion Research Search the CRF Combustion Chemistry Flame Chemistry Research.Combustion_Chemistry.Flame_Chemistry Theory and Modeling Theory and Modeling Combustion Kinetics High Pressure Chemistry Chemistry of Autoignition

  7. Combustion

    CERN Document Server

    Glassman, Irvin

    1987-01-01

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

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

    Energy Technology Data Exchange (ETDEWEB)

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

    2017-06-09

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

  9. Rate of hexabromocyclododecane decomposition and production of brominated polycyclic aromatic hydrocarbons during combustion in a pilot-scale incinerator.

    Science.gov (United States)

    Miyake, Yuichi; Tokumura, Masahiro; Wang, Qi; Amagai, Takashi; Horii, Yuichi

    2017-11-01

    Here, we examined the incineration of extruded polystyrene containing hexabromocyclododecane (HBCD) in a pilot-scale incinerator under various combustion temperatures (800-950°C) and flue gas residence times (2-8sec). Rates of HBCD decomposition ranged from 99.996% (800°C, 2sec) to 99.9999% (950°C, 8sec); the decomposition of HBCD, except during the initial stage of combustion (flue gas residence timepolycyclic aromatic hydrocarbons (BrPAHs) were detected as unintentional by-products. Of the 11 BrPAHs detected, 2-bromoanthracene and 1-bromopyrene were detected at the highest concentrations. The mutagenic and carcinogenic BrPAHs 1,5-dibromoanthracene and 1-bromopyrene were most frequently detected in the flue gases analyzed. The total concentration of BrPAHs exponentially increased (range, 87.8-2,040,000ng/m 3 ) with increasing flue gas residence time. Results from a qualitative analysis using gas chromatography/high-resolution mass spectrometry suggest that bromofluorene and bromopyrene (or fluoranthene) congeners were also produced during the combustion. Copyright © 2017. Published by Elsevier B.V.

  10. Finite-rate chemistry modelling of non-conventional combustion regimes using a Partially-Stirred Reactor closure: combustion model formulation and implementation details

    OpenAIRE

    Li, Zhiyi; Ferrarotti, Marco; Cuoci, Alberto; Parente, Alessandro

    2018-01-01

    The present work focuses on the numerical simulation ofModerate or Intense Low oxygen Dilution combustion condition, using thePartially-Stirred Reactor model for turbulence-chemistry interactions.The Partially-Stirred Reactor model assumes that reactions are confinedin a specific region of the computational cell, whose mass fractiondepends both on the mixing and the chemical time scales. Therefore, theappropriate choice of mixing and chemical time scales becomes crucial toensure the accuracy ...

  11. Modelling of plume chemistry of high flying aircraft with H2 combustion engines

    International Nuclear Information System (INIS)

    Weibring, G.; Zellner, R.

    1993-01-01

    Emissions from hydrogen fueled aircraft engines include large concentrations of radicals such as NO, OH, O and H. We describe the result of modelling studies in which the evolution of the radical chemistry in an expanding and cooling plume for three different mixing velocities is evaluated. The simulations were made for hydrogen combustion engines at an altitude of 26 km. For the fastest mixing conditions, the radical concentrations decrease only because of dilution with the ambient air, since the time for chemical reaction is too short. With lower mixing velocities, however, larger chemical conversions were determined. For the slowest mixing conditions the unburned hydrogen is converted into water. As a consequence the radicals O and OH increase considerably around 1400 K. The only exception being NO, for which no chemical change during the expansion is found. The concentrations of the reservoir molecules like H 2 O 2 , N 2 O 5 or HNO 3 have been calculated to remain relatively small. (orig.)

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

    International Nuclear Information System (INIS)

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

    2017-01-01

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

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

    Science.gov (United States)

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

    2017-10-01

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

  14. Hydrocarbons

    Energy Technology Data Exchange (ETDEWEB)

    1927-02-22

    Coal tar, mineral oils, bitumens, coal extraction products, hydrogenation products of coal, oil schists can be atomized and heated with steam to decompose pyrogenetically and form gases rich in olefins which may be heated with or without pressure and with or without catalysts to produce liquid hydrocarbons of low boiling point, some of which may be aromatic. The apparatus should be lined with copper, silica, or ferrosilicon to prevent contact of the bases with iron which causes deposition of soot. Catalysts used may be metal oxides, silica, graphite, active charcoal, mica, pumice, porcelain, barium carbonate, copper, silver, gold, chromium, boron, or their compounds. At temperatures from 300 to 400/sup 0/C, olefins are produced. At higher temperatures, naphthenes and benzene hydrocarbons are produced.

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

    Science.gov (United States)

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

    2017-05-15

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

  16. Hydrocarbon conversion with cracking catalyst having co-combustion promoters lanthanum and iron

    International Nuclear Information System (INIS)

    Csicsery, S.M.

    1979-01-01

    A composition useful in hydrocarbon conversion processes such as catalytic cracking comprises 0.05 to 10 weight percent lanthanum associated with a refractory support. The composition may also include 0.02 to 10 weight percent iron. The refractory support is a zeolitic crystalline aluminosilicate

  17. Emission factors of polycyclic and nitro-polycyclic aromatic hydrocarbons from residential combustion of coal and crop residue pellets.

    Science.gov (United States)

    Yang, Xiaoyang; Liu, Shijie; Xu, Yisheng; Liu, Yu; Chen, Lijiang; Tang, Ning; Hayakawa, Kazuichi

    2017-12-01

    Polycyclic aromatic hydrocarbons (PAHs) and nitro-polycyclic aromatic hydrocarbons (NPAHs) are toxic pollutants mainly produced during fossil fuel combustion. Domestic coal stoves, which emit large amounts of PAHs and NPAHs, are widely used in the Chinese countryside. In this study, emission factors (Efs) for 13 PAH species and 21 NPAH species for four raw coal (three bituminous and one anthracite), one honeycomb briquette, and one crop residue pellet (peanut hulls) samples burned in a typical Chinese rural cooking stove were determined experimentally. The PAH and NPAH Efs for the six fuels were 3.15-49 mg/kg and 0.32-100 μg/kg, respectively. Peanut hulls had very high Efs for both PAHs and NPAHs, and honeycomb briquettes had the lowest Efs. 2-Nitropyrene and 2-nitrofluoranthene, which are NPAHs typically found in secondary organic aerosol, were detected in the emissions from some fuels, suggesting that chemical reactions may have occurred in the dilution tunnel between the flue gas leaving the stove and entering the sampler. The 1-nitropyrene to pyrene diagnostic ratios for coal and peanut hulls were 0.0001 ± 0.0001 and 0.0005, respectively. These were in the same order of magnitude as reference ratios for emissions during coal combustion. The 6-nitrobenzo[a]pyrene to benzo[a]pyrene ratios for the fuels were determined, and the ratios for coal and peanut hulls were 0.0010 ± 0.0001 and 0.0014, respectively. The calculated potential toxic risks indicated that peanut hull emissions were very toxic, especially in terms of NPAHs, compared with emissions from the other fuels. Copyright © 2017 Elsevier Ltd. All rights reserved.

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

    Energy Technology Data Exchange (ETDEWEB)

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

    1999-09-25

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

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

    Energy Technology Data Exchange (ETDEWEB)

    Cappelli, Mark; Mungal, M Godfrey

    2014-10-28

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

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

    Science.gov (United States)

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

    2014-11-26

    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.

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

    Science.gov (United States)

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

    2006-08-01

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

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

    Directory of Open Access Journals (Sweden)

    A. Guillon

    2013-03-01

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

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

    Science.gov (United States)

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

    2014-03-01

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

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

    Science.gov (United States)

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

    2013-01-01

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

  5. Polycyclic aromatic hydrocarbons and other organic compounds in ashes from biomass combustion

    Czech Academy of Sciences Publication Activity Database

    Straka, Pavel; Havelcová, Martina

    2012-01-01

    Roč. 9, č. 4 (2012), s. 481-490 ISSN 1214-9705 R&D Projects: GA MZe QI102A207 Institutional research plan: CEZ:AV0Z30460519 Keywords : biomass combustion * ash * PAHs Subject RIV: GD - Fertilization, Irrigation, Soil Processing Impact factor: 0.530, year: 2011 http://www.irsm.cas.cz/materialy/acta_content/2012_04/6.Straka_%20Havelcova.pdf

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

    Energy Technology Data Exchange (ETDEWEB)

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

    2010-12-12

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

  7. Study of the chemistry of sulfur- and nitrogen oxides at fluidized bed combustion. Final report

    International Nuclear Information System (INIS)

    Lindqvist, O.

    1995-01-01

    Research has been carried out concerning chemistry of nitrogen and sulfur oxides, with relevance to fluidized bed combustion. Studies of the heterogeneous decomposition reactions of NO and N 2 O molecules have also been carried out. The effect of O 2 on the heterogeneous reactions has been investigated and the results indicate that NO can deteriorate only in the reducing zones of a FBC. The formation of NO and N 2 O as well as the question of what parameters affect this formation have been studied in a series of combustion experiments. In addition, it has also been demonstrated that the volatiles and the char are about equally important for the NO and N 2 O formation. Quantum chemical calculations have been used to study the surface processes of the nitrogen oxides. Investigations of the desulfurization reactions at high percentages of CO 2 with special regard to the PFBC technique have been made. In addition, the same reaction has been studied with e.g. spectroscopic methods at normal CO 2 percentages, but with varying amounts of O 2 and CO. CaSO 3 has been demonstrated to be an intermediary and CaS as being one of the products. An important part of the project activities is the analytical work which primarily supports the full scale experiments on the 12 MW th CTH FBC boiler. As a link between the CTH boiler and our analytical laboratory, a chemical engineer also has been employed. In this activity is also included the development of sampling and analytical methods, e.g. NH 3 and HCN sampling in the combustor. Time has also been allocated to measuring corrosive alkali metals (Na and K) in flue gases from a PFBC plant. 29 refs, 4 figs, 1 tab

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

    Energy Technology Data Exchange (ETDEWEB)

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

    2008-07-01

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

  9. One hundred and fifty years of combustion of fossil hydrocarbons: The emergent alternatives

    International Nuclear Information System (INIS)

    Laine, Jorge

    2009-01-01

    After one hundred fifty years of drilling first commercial petroleum wells that led to the intensive use of liquid fuels to move transport vehicles, we are arriving at the peak of the world-wide petroleum reserves. Yet, we still have a good portion for spending, with the hope that the consequences will be better than in the first part, which has implied several wars and deteriorations of the environment. This assay brings a review about the history of fossil fuels and with the prospective of the emergent energetic alternatives, placing emphasis on bioenergy as an alternative for the transition between the actual combustion age and the new age of clean energy.

  10. Challenges in simulation of chemical processes in combustion furnaces

    Energy Technology Data Exchange (ETDEWEB)

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

    1996-12-31

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

  11. Challenges in simulation of chemical processes in combustion furnaces

    Energy Technology Data Exchange (ETDEWEB)

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

    1997-12-31

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

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

    Directory of Open Access Journals (Sweden)

    Olek Malgorzata

    2013-01-01

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

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

    Energy Technology Data Exchange (ETDEWEB)

    Dryer, Frederick L.

    2009-04-10

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

  14. Environmental hazards from natural hydrocarbons seepage: Integrated classification of risk from sediment chemistry, bioavailability and biomarkers responses in sentinel species

    International Nuclear Information System (INIS)

    Benedetti, Maura; Gorbi, Stefania; Fattorini, Daniele; D'Errico, Giuseppe; Piva, Francesco; Pacitti, Davide; Regoli, Francesco

    2014-01-01

    Potential effects of natural emissions of hydrocarbons in the marine environment have been poorly investigated. In this study, a multidisciplinary weight of evidence (WOE) study was carried out on a shallow seepage, integrating sediment chemistry with bioavailability and onset of subcellular responses (biomarkers) in caged eels and mussels. Results from different lines of evidence (LOEs) were elaborated within a quantitative WOE model which, based on logical flowcharts, provide synthetic indices of hazard for each LOE, before their integration in a quantitative risk assessment. Evaluations of different LOEs were not always in accordance and their overall elaboration summarized as Moderate the risk in the seepage area. This study provided first evidence of biological effects in organisms exposed to natural hydrocarbon emissions, confirming the limit of chemical characterization as stand-alone criteria for environmental quality assessment and the utility of multidisciplinary investigations to determine the good environmental status as required by Environmental Directives. -- Highlights: • Hazards from natural seepage were evaluated through a multidisciplinary WOE study. • Caged eels and mussels were chosen as bioindicator organisms. • Evaluations obtained from various LOEs were not always in accordance. • Biological effects of natural hydrocarbons release were demonstrated. • WOE approach could discriminate different levels of hazard in low impacted conditions. -- A multidisciplinary WOE study in a shallow coastal seepage summarized a Moderate level of risk based on integration of sediment chemistry with biological effects in caged organisms

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

    Science.gov (United States)

    Omidvarborna, Hamid

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

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

    Directory of Open Access Journals (Sweden)

    Alexandra Ushakova

    2017-01-01

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

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

    CERN Document Server

    Dorai, R

    2003-01-01

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

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

    Science.gov (United States)

    Landera, Alexander

    2013-12-01

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

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

    Energy Technology Data Exchange (ETDEWEB)

    Baxter, Larry L.

    2008-06-09

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

  20. Chemistry and photophysics of polycyclic aromatic hydrocarbons in the interstellar medium

    NARCIS (Netherlands)

    Boschman, Leon

    2017-01-01

    Polycyclic aromatic hydrocarbons (PAHs) are ubiquitous in the interstellar medium, and it is thought that they are a key factor in the formation of molecular hydrogen at high gas and dust grain temperatures. We have explored how PAHs can contribute to the formation of H2 by taking a small PAH

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

    Energy Technology Data Exchange (ETDEWEB)

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

    2014-11-15

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

  2. Impact of finite rate chemistry on the hydrodynamic stability of shear flows in turbulent lean premixed combustion

    Science.gov (United States)

    Dagan, Yuval; Ghoniem, Ahmed

    2017-11-01

    Recent experimental observations show that the dynamic response of a reactive flow is strongly impacted by the fuel chemistry. In order to gain insight into some of the underlying mechanisms we formulate a new linear stability model that incorporates the impact of finite rate chemistry on the hydrodynamic stability of shear flows. Contrary to previous studies which typically assume that the velocity field is independent of the kinetic rates, the velocity field in our study is coupled with the temperature field. Using this formulation, we reproduce previous results, e.g., most unstable global modes, obtained for non-reacting shear flow. Moreover, we show that these modes are significantly altered in frequency and gain by the presence of a reaction region within the shear layer. This qualitatively agrees with results of our recent experimental and numerical studies, which show that the flame surface location relative to the shear layer influences the stability characteristics in combustion tunnels. This study suggests a physical explanation for the observed impact of finite rate chemistry on shear flow stability.

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

    Energy Technology Data Exchange (ETDEWEB)

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

    2009-02-02

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

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

    Energy Technology Data Exchange (ETDEWEB)

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

    2012-08-13

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

  5. Subgrid scale modeling in large-Eddy simulation of turbulent combustion using premixed fdlamelet chemistry

    NARCIS (Netherlands)

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

    2009-01-01

    Large-eddy simulation (LES) of turbulent combustion with premixed flamelets is investigated in this paper. The approach solves the filtered Navier-Stokes equations supplemented with two transport equations, one for the mixture fraction and another for a progress variable. The LES premixed flamelet

  6. Obtaining of a barium compound by combustion chemistry and their evaluation as Co adsorbent

    International Nuclear Information System (INIS)

    Rosas G, N.

    2008-01-01

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

  7. Computationally Efficient Modeling of Hydrocarbon Oxidation Chemistry and Flames Using Constituents and Species

    Science.gov (United States)

    2012-02-10

    Cremer , J-Y Chen, C.K. Westbrook, L.Q. Maurice, J. Propul. Power 18 (1) (2002) 192–198. K. Harstad, J. Bellan / Combustion and Flame 157 (2010) 1594... Cremer , J.-Y. Chen, C.K. Westbrook, L.Q. Maurice, J. Propuls. Power 18 (1) (2002) 192–198. a 10-9 10-7 10-5 10-3 10-1 101 N oh (m ol /m 3 ) T0 = 800...Caltech by the Army Research Office under the direction of Drs. David Mann, Kevin McNesby and Ralph Anthenien. References 1U. C. Müeller, N. Peters, A

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

    Energy Technology Data Exchange (ETDEWEB)

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

    1995-12-31

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

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

    International Nuclear Information System (INIS)

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

    2003-01-01

    We report the first use of synchrotron radiation, continuously tunable from 8 to 15 eV, for flame-sampling photoionization mass spectrometry (PIMS). Synchrotron radiation offers important advantages over the use of pulsed vacuum ultraviolet lasers for PIMS; these include superior signal-to-noise, soft ionization, and access to photon energies outside the limited tuning ranges of current VUV laser sources. Near-threshold photoionization efficiency measurements were used to determine the absolute concentrations of the allene and propyne isomers of C 3 H 4 in low-pressure laminar ethylene-oxygen and benzene-oxygen flames. Similar measurements of the isomeric composition of C 2 H 4 O species in a fuel-rich ethylene-oxygen flame revealed the presence of substantial concentrations of ethenol (vinyl alcohol) and acetaldehyde. Ethenol has not been previously detected in hydrocarbon flames. Absolute photoionization cross sections were measured for ethylene, allene, propyne, and acetaldehyde, using propene as a calibration standard. PIE curves are presented for several additional reaction intermediates prominent in hydrocarbon flames

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

    Energy Technology Data Exchange (ETDEWEB)

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

    1996-12-31

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

  11. Reaction Mechanisms on Multiwell Potential Energy Surfaces in Combustion (and Atmospheric) Chemistry

    International Nuclear Information System (INIS)

    Osborn, David L.

    2017-01-01

    Chemical reactions occurring on a potential energy surface with multiple wells are ubiquitous in low temperature combustion and the oxidation of volatile organic compounds in earth’s atmosphere. The rich variety of structural isomerizations that compete with collisional stabilization make characterizing such complex-forming reactions challenging. This review describes recent experimental and theoretical advances that deliver increasingly complete views of their reaction mechanisms. New methods for creating reactive intermediates coupled with multiplexed measurements provide many experimental observables simultaneously. Automated methods to explore potential energy surfaces can uncover hidden reactive pathways, while master equation methods enable a holistic treatment of both sequential and well-skipping pathways. Our ability to probe and understand nonequilibrium effects and reaction sequences is increasing. These advances provide the fundamental science base for predictive models of combustion and the atmosphere that are crucial to address global challenges.

  12. Reaction Mechanisms on Multiwell Potential Energy Surfaces in Combustion (and Atmospheric) Chemistry

    Science.gov (United States)

    Osborn, David L.

    2017-05-01

    Chemical reactions occurring on a potential energy surface with multiple wells are ubiquitous in low-temperature combustion and in the oxidation of volatile organic compounds in Earth's atmosphere. The rich variety of structural isomerizations that compete with collisional stabilization makes characterizing such complex-forming reactions challenging. This review describes recent experimental and theoretical advances that deliver increasingly complete views of their reaction mechanisms. New methods for creating reactive intermediates coupled with multiplexed measurements provide many experimental observables simultaneously. Automated methods to explore potential energy surfaces can uncover hidden reactive pathways, and master equation methods enable a holistic treatment of both sequential and well-skipping pathways. Our ability to probe and understand nonequilibrium effects and reaction sequences is increasing. These advances provide the fundamental science base for predictive models of combustion and the atmosphere that are crucial to address global challenges.

  13. PDF Modeling of Turbulent Combustion

    National Research Council Canada - National Science Library

    Pope, Stephen B

    2006-01-01

    .... The PDF approach to turbulent combustion has the advantages of fully representing the turbulent fluctuations of species and temperature, and of allowing realistic combustion chemistry to be implemented...

  14. ''Combustion Always Produces Carbon Dioxide and Water'': A Discussion of University Chemistry Students' Use of Rules in Place of Principles

    Science.gov (United States)

    Robertson, Amy D.; Shaffer, Peter S.

    2014-01-01

    On the basis of responses to written questions administered to more than one thousand introductory chemistry students, we claim that students often rotely apply memorized combustion rules instead of reasoning based on explanatory models for what happens at the molecular level during chemical reactions. In particular, many students argue that…

  15. Hydrocarbon-soluble calcium hydride: a "worker-bee" in calcium chemistry.

    Science.gov (United States)

    Spielmann, Jan; Harder, Sjoerd

    2007-01-01

    The reactivity of the hydrocarbon-soluble calcium hydride complex [{CaH(dipp-nacnac)(thf)}(2)] (1; dipp-nacnac=CH{(CMe)(2,6-iPr(2)C(6)H(3)N)}(2)) with a large variety of substrates has been investigated. Addition of 1 to C=O and C=N functionalities gave easy access to calcium alkoxide and amide complexes. Similarly, reduction of the C[triple chemical bond]N bond in a cyanide or an isocyanide resulted in the first calcium aldimide complexes [Ca{N=C(H)R}(dipp-nacnac)] and [Ca{C(H)=NR}(dipp-nacnac)], respectively. Complexation of 1 with borane or alane Lewis acids gave the borates and alanates as contact ion pairs. In reaction with epoxides, nucleophilic ring-opening is observed as the major reaction. The high reactivity of hydrocarbon-soluble 1 with most functional groups contrasts strongly with that of insoluble CaH(2), which is essentially inert and is used as a common drying agent. Crystal structures of the following products are presented: [{Ca{OC(H)Ph(2)}(dipp-nacnac)}(2)], [{Ca{N=C(H)Ph}(dipp-nacnac)}(2)], [{Ca{C(H)=NC(Me)(2)CH(2)C(Me)(3)}(dipp-nacnac)}(2)], [{Ca{C(H)=NCy}(dipp-nacnac)}(2)], [Ca(dipp-nacnac)(thf)](+)[H(2)BC(8)H(14)](-) and [{Ca(OCy)(dipp-nacnac)}(2)]. The generally smooth and clean conversions of 1 with a variety of substrates and the stability of most intermediates against ligand exchange make 1 a valuable key precursor in the syntheses of a wide variety of beta-diketiminate calcium complexes.

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

    Energy Technology Data Exchange (ETDEWEB)

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

    1993-06-01

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

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

    Science.gov (United States)

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

    2014-04-01

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

  18. XIX Mendeleev Congress on general and applied chemistry. Abstract book in 4 volumes. Volume 4. Chemistry aspects of modern energy and alternative energy resources. Chemistry of fossil and renewable hydrocarbon raw materials. Analytical chemistry: novel methods and devices for chemical research and analysis. Chemical education

    International Nuclear Information System (INIS)

    2011-01-01

    The abstracts of the XIX Mendeleev Congress on general and applied chemistry held 25-30 September 2011 in Volgograd are presented. The program includes the Congress plenary and section reports, poster presentations, symposia and round tables on key areas of chemical science and technology, and chemical education. The work of the Congress was held the following sections: 1. Fundamental problems of chemical sciences; 2. Chemistry and technology of materials, including nanomaterials; 3. Physicochemical basis of metallurgical processes; 4. Current issues of chemical production, technical risk assessment; 5. Chemical aspects of modern power and alternative energy sources; 6. Chemistry of fossil and renewable hydrocarbons; 7. Analytical chemistry: new methods and instruments for chemical research and analysis; 8. Chemical education. Volume 4 includes abstracts of oral and poster presentations and presentations of correspondent participants of the sections: Chemistry aspects of modern energy and alternative energy resources; Chemistry of fossil and renewable hydrocarbon raw materials; Analytical chemistry: novel methods and devices for chemical research and analysis; Chemical education, and author index [ru

  19. Dense plasma chemistry of hydrocarbons at conditions relevant to planetary interiors and inertial confinement fusion

    Science.gov (United States)

    Kraus, Dominik

    2017-10-01

    Carbon-hydrogen demixing and subsequent diamond precipitation has been predicted to strongly participate in shaping the internal structure and evolution of icy giant planets like Neptune and Uranus. The very same dense plasma chemistry is also a potential concern for CH plastic ablator materials in inertial confinement fusion (ICF) experiments where similar conditions are present during the first compression stage of the imploding capsule. Here, carbon-hydrogen demixing may enhance the hydrodynamic instabilities occurring in the following compression stages. First experiments applying dynamic compression and ultrafast in situ X-ray diffraction at SLAC's Linac Coherent Light Source demonstrated diamond formation from polystyrene (CH) at 150 GPa and 5000 K. Very recent experiments have now investigated the influence of oxygen, which is highly abundant in icy giant planets on the phase separation process. Compressing PET (C5H4O2) and PMMA(C5H8O2), we find again diamond formation at pressures above 150 GPa and temperatures of several thousand kelvins, showing no strong effect due to the presence of oxygen. Thus, diamond precipitation deep inside icy giant planets seems very likely. Moreover, small-angle X-ray scattering (SAXS) was added to the platform, which determines an upper limit for the diamond particle size, while the width of the diffraction features provides a lower limit. We find that diamond particles of several nanometers in size are formed on a nanosecond timescale. Finally, spectrally resolved X-ray scattering is used to scale amorphous diffraction signals and allows for determining the amount of carbon-hydrogen demixing inside the compressed samples even if no crystalline diamond is formed. This whole set of diagnostics provides unprecedented insights into the nanosecond kinetics of dense plasma chemistry.

  20. Radiation chemistry of hydrocarbon and alkyl halide systems. Progress report, August 30, 1979-July 31, 1980

    International Nuclear Information System (INIS)

    Hanrahan, R.J.

    1980-01-01

    This progress report covers experiments on pulse radiolysis of methyl iodide, radiation induced reactions in H 2 -CO mixtures and photochemistry and mass spectrometry of CF 3 I-CH 3 I systems. In the pulse radiolysis of alkyl iodide, it was possible to follow rate processes involving atomic iodine in the 2 P/sub 1/2/ excited state and 2 P/sub 3/2/ ground state resulting from irradiation of these compounds. The excited state proved easy to follow, since it can be observed in a strong transition at 206.2 nm. Observation of atomic iodine in the 2 P/sub 3/2/ ground state proved difficult, since it must be observed at 178.3 nm, well into the vacuum ultraviolet. Several design improvements in the pulse radiolysis apparatus were made to achieve a reliable measurement of the I*/I production ratio. The physical arrangement of the apparatus which was adopted is illustrated. A remaining problem which stands in the way of measuring I*/I ratios is the lack of information on extinction coefficients of 2 P/sub 1/2/ and 2 P/sub 3/2/ atomic iodine at 206 and 178 nm. It is expected that indirect calculations and/or computer modelling will be employed. In the H 2 -CO system, investigation of the effect of total pressure in the homogeneous gas phase was made, concentrating on the 3:1 H 2 -CO mixtures. Measurements were made as a function of pressure in the range of 250 to 3300 torr for saturated and unsaturated hydrocarbon in the C 1 to C 6 range. Two trends were exhibited; yields of all products dropped markedly as system pressure was increased; and yields in the nickel vessels were generally in excess of yields in the stainless vessels. Photolysis of CF 3 I-CH 3 I gas phase showed a substantial yield of the product CH 2 I 2 . High pressure mass spectrometry of CF 3 -CH 3 I mixtures revealed (CH 3 ICH 3 ) + , I 2 + , CF 3 I 2 + , (CF 3 I) 2 + , and unique species such as CF 3 ICH 3 and CF 2 ICH 2 +

  1. USSR Report Chemistry

    National Research Council Canada - National Science Library

    1986-01-01

    Contents: Adsorption, Chemistry,Alkaloids, Analytical Chemistry, Catalysis,Chemical Industry,,Coal Gasification, Combustion, Electrochemistry,Explosives and Explosions, Fertilizers, Free Radicals, Inorganic...

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

    KAUST Repository

    Selim, Hatem

    2015-04-16

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

  3. Microbial contamination of stored hydrocarbon fuels and its control Contaminação microbiana de combustíveis hidrocarbonados e o seu controle

    Directory of Open Access Journals (Sweden)

    Christine C. Gaylarde

    1999-01-01

    Full Text Available The major microbial problem in the petroleum refining industry is contamination of stored products, which can lead to loss of product quality, formation of sludge and deterioration of pipework and storage tanks, both in the refinery and at the end-user. Three major classes of fuel are discussed in this article - gasoline, aviation kerosene and diesel, corresponding to increasingly heavy petroleum fractions. The fuel that presents the most serious microbiological problems is diesel. The many microorganisms that have been isolated from hydrocarbon fuel systems are listed. The conditions required for microbial growth and the methods used to monitor and to control this activity are discussed. The effects of various fuel additives, including biocides, are considered.O problema microbiano maior na indústria de refino de petróleo é a contaminação de produtos armazenados, que pode levar à perda da qualidade, à formação de borra e à deterioração de tubulações e tanques de estocagem, na refinaria e no usuário. São abordadas, neste artigo, três classes de combustível, gasolina, querosene de aviação e óleo diesel, correspondente à ordem crescente de peso no fracionamento de petróleo. O óleo diesel apresenta os problemas microbiológicos mais sérios. São relatados os diversos microrganismos isolados de sistemas de combustíveis hidrocarbonados. São apresentadas as condições necessárias para crescimento microbiano e os métodos utilizados para o monitoramento e controle desse crescimento. Os efeitos de diversos aditivos, inclusive biocidas, são discutidos

  4. Combustion Chemistry of Fuels: Quantitative Speciation Data Obtained from an Atmospheric High-temperature Flow Reactor with Coupled Molecular-beam Mass Spectrometer.

    Science.gov (United States)

    Köhler, Markus; Oßwald, Patrick; Krueger, Dominik; Whitside, Ryan

    2018-02-19

    This manuscript describes a high-temperature flow reactor experiment coupled to the powerful molecular beam mass spectrometry (MBMS) technique. This flexible tool offers a detailed observation of chemical gas-phase kinetics in reacting flows under well-controlled conditions. The vast range of operating conditions available in a laminar flow reactor enables access to extraordinary combustion applications that are typically not achievable by flame experiments. These include rich conditions at high temperatures relevant for gasification processes, the peroxy chemistry governing the low temperature oxidation regime or investigations of complex technical fuels. The presented setup allows measurements of quantitative speciation data for reaction model validation of combustion, gasification and pyrolysis processes, while enabling a systematic general understanding of the reaction chemistry. Validation of kinetic reaction models is generally performed by investigating combustion processes of pure compounds. The flow reactor has been enhanced to be suitable for technical fuels (e.g. multi-component mixtures like Jet A-1) to allow for phenomenological analysis of occurring combustion intermediates like soot precursors or pollutants. The controlled and comparable boundary conditions provided by the experimental design allow for predictions of pollutant formation tendencies. Cold reactants are fed premixed into the reactor that are highly diluted (in around 99 vol% in Ar) in order to suppress self-sustaining combustion reactions. The laminar flowing reactant mixture passes through a known temperature field, while the gas composition is determined at the reactors exhaust as a function of the oven temperature. The flow reactor is operated at atmospheric pressures with temperatures up to 1,800 K. The measurements themselves are performed by decreasing the temperature monotonically at a rate of -200 K/h. With the sensitive MBMS technique, detailed speciation data is acquired and

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

    Science.gov (United States)

    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

    2012-06-05

    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). 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.

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

    Directory of Open Access Journals (Sweden)

    G. A. Folberth

    2006-01-01

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

  7. Large eddy simulation of spray and combustion characteristics with realistic chemistry and high-order numerical scheme under diesel engine-like conditions

    International Nuclear Information System (INIS)

    Zhou, Lei; Luo, Kai Hong; Qin, Wenjin; Jia, Ming; Shuai, Shi Jin

    2015-01-01

    Highlights: • MUSCL differencing scheme in LES method is used to investigate liquid fuel spray and combustion process. • Using MUSCL can accurately capture the gas phase velocity distribution and liquid spray features. • Detailed chemistry mechanism with a parallel algorithm was used to calculate combustion process. • Increasing oxygen concentration can decrease ignition delay time and flame LOL. - Abstract: The accuracy of large eddy simulation (LES) for turbulent combustion depends on suitably implemented numerical schemes and chemical mechanisms. In the original KIVA3V code, finite difference schemes such as QSOU (Quasi-second-order upwind) and PDC (Partial Donor Cell Differencing) cannot achieve good results or even computational stability when using coarse grids due to large numerical diffusion. In this paper, the MUSCL (Monotone Upstream-centered Schemes for Conservation Laws) differencing scheme is implemented into KIVA3V-LES code to calculate the convective term. In the meantime, Lu’s n-heptane reduced 58-species mechanisms (Lu, 2011) is used to calculate chemistry with a parallel algorithm. Finally, improved models for spray injection are also employed. With these improvements, the KIVA3V-LES code is renamed as KIVALES-CP (Chemistry with Parallel algorithm) in this study. The resulting code was used to study the gas–liquid two phase jet and combustion under various diesel engine-like conditions in a constant volume vessel. The results show that using the MUSCL scheme can accurately capture the spray shape and fuel vapor penetration using even a coarse grid, in comparison with the Sandia experimental data. Similarly good results are obtained for three single-component fuels, i-Octane (C8H18), n-Dodecanese (C12H26), and n-Hexadecane (C16H34) with very different physical properties. Meanwhile the improved methodology is able to accurately predict ignition delay and flame lift-off length (LOL) under different oxygen concentrations from 10% to 21

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

    Energy Technology Data Exchange (ETDEWEB)

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

    1997-10-01

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

  9. Chemistry

    International Nuclear Information System (INIS)

    Ferris, L.M.

    1975-01-01

    The chemical research and development efforts related to the design and ultimate operation of molten-salt breeder reactor systems are concentrated on fuel- and coolant-salt chemistry, including the development of analytical methods for use in these systems. The chemistry of tellurium in fuel salt is being studied to help elucidate the role of this element in the intergranular cracking of Hastelloy N. Studies were continued of the effect of oxygen-containing species on the equilibrium between dissolved UF 3 and dissolved UF 4 , and, in some cases, between the dissolved uranium fluorides and graphite, and the UC 2 . Several aspects of coolant-salt chemistry are under investigation. Hydroxy and oxy compounds that could be formed in molten NaBF 4 are being synthesized and characterized. Studies of the chemistry of chromium (III) compounds in fluoroborate melts were continued as part of a systematic investigation of the corrosion of structural alloys by coolant salt. An in-line voltammetric method for determining U 4+ /U 3+ ratios in fuel salt was tested in a forced-convection loop over a six-month period. (LK)

  10. Catalytically enhanced combustion process

    International Nuclear Information System (INIS)

    Rodriguez, C.

    1992-01-01

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

  11. Sandia Combustion Research: Technical review

    Energy Technology Data Exchange (ETDEWEB)

    NONE

    1995-07-01

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

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

    International Nuclear Information System (INIS)

    Hahn, D. W.; Hencken, K. R.; Johnsen, H. A.; Ross, J. R.; Walsh, P. M.

    1998-01-01

    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 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 3 , respectively. A possible source of silicon is the water injected into the turbine

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

    Science.gov (United States)

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

    2013-01-01

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

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

    Science.gov (United States)

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

    2014-03-01

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

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

    Directory of Open Access Journals (Sweden)

    Burger J.

    2006-11-01

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

  16. Combustor nozzle for a fuel-flexible combustion system

    Science.gov (United States)

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

    2011-03-22

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

  17. Hydrocarbons and air pollution

    International Nuclear Information System (INIS)

    Herz, O.

    1992-01-01

    This paper shows the influence of hydrocarbons vapors, emitted by transports or by volatile solvents using, on air pollution. Hydrocarbons are the principal precursors of photochemical pollution. After a brief introduction on atmospheric chemistry and photochemical reactions, the author describes the french prevention program against hydrocarbons emissions. In the last chapter, informations on international or european community programs for photochemical pollution study are given. 5 figs., 10 tabs

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

    Energy Technology Data Exchange (ETDEWEB)

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

    1985-01-01

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

  19. Chemistry

    International Nuclear Information System (INIS)

    Ferris, L.M.

    1976-01-01

    Research progress is reported in programs on fuel-salt chemistry, properties of compounds in the Li--Te system, Te spectroscopy UF 4 --H equilibria, porous electrode studies of molten salts, fuel salt-coolant salt reactions, thermodynamic properties of transition-metal fluorides, and properties of sodium fluoroborate. Developmental work on analytical methods is summarized including in-line analysis of molten MSBR fuel, analysis of coolant-salts for tritium, analysis of molten LiF--BeF 2 --ThF 4 for Fe and analysis of LiF--BeF--ThF 4 for Te

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

    Science.gov (United States)

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

    2015-01-01

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

  1. Combustion modeling in internal combustion engines

    Science.gov (United States)

    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.

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

    Science.gov (United States)

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

    2007-01-01

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

  3. Forensic Chemistry

    Science.gov (United States)

    Bell, Suzanne

    2009-07-01

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

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

    Science.gov (United States)

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

    2014-03-01

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

  5. Functional Group Analysis for Diesel-like Mixing-Controlled Compression Ignition Combustion Blendstocks

    Energy Technology Data Exchange (ETDEWEB)

    Gaspar, Daniel J.; McCormick, Robert L.; Polikarpov, Evgueni; Fioroni, Gina; George, Anthe; Albrecht, Karl O.

    2016-12-30

    This report addresses the suitability of hydrocarbon and oxygenate functional groups for use as a diesel-like fuel blending component in an advanced, mixing-controlled, compression ignition combustion engine. The functional groups are chosen from those that could be derived from a biomass feedstock, and represent a full range of chemistries. This first systematic analysis of functional groups will be of value to all who are pursuing new bio-blendstocks for diesel-like fuels.

  6. Chemistry

    International Nuclear Information System (INIS)

    Ferris, L.M.

    1975-01-01

    Research and development activities dealing with the chemical problems related to design and ultimate operation of molten-salt reactor systems are described. An experimental test stand was constructed to expose metallurgical test specimens to Te 2 vapor at defined temperatures and deposition rates. To better define the chemistry of fluoroborate coolant, several aspects are being investigated. The behavior of hydroxy and oxy compounds in molten NaBF 4 is being investigated to define reactions and compounds that may be involved in corrosion and/or could be involved in methods for trapping tritium. Two corrosion products of Hastelloy N, Na 3 CrF 6 and Na 5 Cr 3 F 14 , were identified from fluoroborate systems. The evaluation of fluoroborate and alternate coolants continued. Research on the behavior of hydrogen and its isotopes is summarized. The solubilities of hydrogen, deuterium, and helium in Li 2 BeF 4 are very low. The sorption of tritium on graphite was found to be significant (a few milligrams of tritium per kilogram of graphite), possibly providing a means of sequestering a portion of the tritium produced. Development of analytical methods continued with emphasis on voltammetric and spectrophotometric techniques for the in-line analysis of corrosion products such as Fe 2+ and Cr 3+ and the determination of the U 3+ /U 4+ ratio in MSBR fuel salt. Similar studies were conducted with the NaBF 4 --NaF coolant salt. Information developed during the previous operation of the CSTF has been assessed and used to formulate plans for evaluation of in-line analytical methods in future CSTF operations. Electroanalytical and spectrophotometric research suggests that an electroactive protonic species is present in molten NaBF 4 --NaF, and that this species rapidly equilibrates with a volatile proton-containing species. Data obtained from the CSTF indicated that tritium was concentrated in the volatile species. (JGB)

  7. Smog chamber studies on the air chemistry of biogenic hydrocarbons in the presence of ozone, NOx and SO2

    International Nuclear Information System (INIS)

    Nolting, F.; Zetzsch, C.

    1990-01-01

    The influence of SO 2 on the photochemical degradation processes of the biogenic hydrocarbon α-pinene was studied with respect to the present forest decline. For that purpose premixed air was irradiated with simulated sunlight in laboratory experiments using a modified smog chamber. The performance of a novel semi continuous analyzer for H 2 SO 4 /sulfate was tested for smog chamber studies of the transformation of SO 2 to sulfuric acid and sulfur containing aerosol. An influence of SO 2 on the formation of ozone was not detected. The rates of degradation cannot be described by gas phase reactions alone, and, in addition, they are faster in the presence of humidity. Depending on humidity, 30-50% of the consumed SO 2 can be recovered in the suspended aerosol. In the presence of 60% relative humidity the nearly exclusive product is sulfur aerosol that needs further characterization. (orig.) With 9 figs., 42 refs [de

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

    International Nuclear Information System (INIS)

    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

  9. Chemistry Impacts in Gasoline HCCI

    Energy Technology Data Exchange (ETDEWEB)

    Szybist, James P [ORNL; Bunting, Bruce G [ORNL

    2006-09-01

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

  10. Premixed flame chemistry of a gasoline primary reference fuel surrogate

    KAUST Repository

    Selim, Hatem; Mohamed, Samah; Hansen, Nils; Sarathy, Mani

    2017-01-01

    Investigating the combustion chemistry of gasoline surrogate fuels promises to improve detailed reaction mechanisms used for simulating their combustion. In this work, the combustion chemistry of one of the simplest, but most frequently used

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

    Energy Technology Data Exchange (ETDEWEB)

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

    2008-07-01

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

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

    Directory of Open Access Journals (Sweden)

    Bordet N.

    2011-11-01

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

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

    Science.gov (United States)

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

    2017-10-01

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

  14. Study of the chemistry of sulfur- and nitrogen oxides at fluidized bed combustion. Final report; Studier avseende svavel- och kvaeveoxidernas kemi vid fluidiserad foerbraenning

    Energy Technology Data Exchange (ETDEWEB)

    Lindqvist, O [Chalmers Univ. of Technology and Goeteborg Univ. (Sweden). Dept. of Inorganic Chemistry

    1995-12-01

    Research has been carried out concerning chemistry of nitrogen and sulfur oxides, with relevance to fluidized bed combustion. Studies of the heterogeneous decomposition reactions of NO and N{sub 2}O molecules have also been carried out. The effect of O{sub 2} on the heterogeneous reactions has been investigated and the results indicate that NO can deteriorate only in the reducing zones of a FBC. The formation of NO and N{sub 2}O as well as the question of what parameters affect this formation have been studied in a series of combustion experiments. In addition, it has also been demonstrated that the volatiles and the char are about equally important for the NO and N{sub 2}O formation. Quantum chemical calculations have been used to study the surface processes of the nitrogen oxides. Investigations of the desulfurization reactions at high percentages of CO{sub 2} with special regard to the PFBC technique have been made. In addition, the same reaction has been studied with e.g. spectroscopic methods at normal CO{sub 2} percentages, but with varying amounts of O{sub 2} and CO. CaSO{sub 3} has been demonstrated to be an intermediary and CaS as being one of the products. An important part of the project activities is the analytical work which primarily supports the full scale experiments on the 12 MW{sub th} CTH FBC boiler. As a link between the CTH boiler and our analytical laboratory, a chemical engineer also has been employed. In this activity is also included the development of sampling and analytical methods, e.g. NH{sub 3} and HCN sampling in the combustor. Time has also been allocated to measuring corrosive alkali metals (Na and K) in flue gases from a PFBC plant. 29 refs, 4 figs, 1 tab

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

    NARCIS (Netherlands)

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

    2014-01-01

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

  16. Fuels and Combustion | Transportation Research | NREL

    Science.gov (United States)

    Fuels and Combustion Fuels and Combustion This is the March 2015 issue of the Transportation and , combustion strategy, and engine design hold the potential to maximize vehicle energy efficiency and performance of low-carbon fuels in internal combustion engines with a whole-systems approach to fuel chemistry

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

    Science.gov (United States)

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

    2014-03-01

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

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

    Science.gov (United States)

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

    2013-01-01

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

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

    Directory of Open Access Journals (Sweden)

    De Soete G.

    2006-11-01

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

  20. Experimental Investigation of the Effect of the Excess Fuel Coefficient on the Electrical Conductivity of Potassium-Seeded Hydrocarbon Fuel Combustion Products; 042d 041a 0421 041f 0414

    Energy Technology Data Exchange (ETDEWEB)

    Gol' denberg, S. A.; Zimin, Je. P.; Levlev, V. N.; Popov, V. A. [Energeticheskij Institut Im. G.M.Krzhizhanovskogo, Moskva, USSR (Russian Federation)

    1968-11-15

    An experimental study was carried out on the relation between ionization of the potassium seed and the composition of the combustion products of two hydrocarbon fuels, methane and benzine. The composition of the combustion products could be varied by changing the excess fuel coefficient for the combustion mixture. Measurements were carried out at various fixed temperatures in the range 1850-3000 Degree-Sign K (total pressure 1 atm). The temperature was kept constant (by diluting the combustion products with nitrogen). The experimental data obtained for the conductivity correspond to a potassium seed partial pressure of 1%. In the high temperature range (with benzine as fuel) measurements were carried out directly with 1% seeding, while at low temperatures (with methane as fuel) measurements were carried out for 3 x 10{sup -2}% seeding and the results extrapolated to 1% seeding. Resonance circuit and radiowave ({lambda} = 0.8 cm) damping methods were adopted in making the measurements. The temperature of the combustion products was measured by sodium D-line reversal. The measurements showed that the electrical conductivity of the combustion products with potassium seeding decreases as the excess fuel coefficient is reduced. At higher excess fuel coefficients this decrease is only slight. A sharp decrease in the electrical conductivity (several times) occurs for excess fuel coefficients in the range 1 to 1.7. In interpreting the experimental data, use was made of the results of a theoretical calculation of the effect of the hydroxyl radical on the ionization of the potassium seed (formation of KOH) and on the conductivity (capture of some free electrons to obtain OH{sup -}). The comparison showed good qualitative agreement between the experimental and calculated data, confirming the applicability of the mechanism proposed for gauging the effect of combustion product composition on seed ionization. (author) [Russian] Provedeno jeksperimental'noe issledovanie

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

    Directory of Open Access Journals (Sweden)

    Agung Dhamar Syakti

    2016-11-01

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

  2. Predictive Evaluations of Oxygen-Rich Hydrocarbon Combustion Gas-Centered Swirl Coaxial Injectors using a Flamelet-Based 3-D CFD Simulation Approach

    Science.gov (United States)

    Richardson, Brian R.; Braman, Kalem; West, Jeff

    2016-01-01

    NASA Marshall Space Flight Center (MSFC) has embarked upon a joint project with the Air Force to improve the state-of-the-art of space application combustion device design and operational understanding. One goal of the project is to design, build and hot-fire test a 40,000 pound-thrust Oxygen/Rocket Propellant-2 (RP-2) Oxygen-Rich staged engine at MSFC. The overall project goals afford the opportunity to test multiple different injector designs and experimentally evaluate the any effect on the engine performance and combustion dynamics. To maximize the available test resources and benefits, pre-test, combusting flow, Computational Fluid Dynamics (CFD) analysis was performed on the individual injectors to guide the design. The results of the CFD analysis were used to design the injectors for specific, targeted fluid dynamic features and the analysis results also provided some predictive input for acoustic and thermal analysis of the main Thrust Chamber Assembly (TCA). MSFC has developed and demonstrated the ability to utilize a computationally efficient, flamelet-based combustion model to guide the pre-test design of single-element Gas Centered Swirl Coaxial (GCSC) injectors. Previous, Oxygen/RP-2 simulation models utilizing the Loci-STREAM flow solver, were validated using single injector test data from the EC-1 Air Force test facility. The simulation effort herein is an extension of the validated, CFD driven, single-injector design approach applied to single injectors which will be part of a larger engine array. Time-accurate, Three-Dimensional, CFD simulations were performed for five different classes of injector geometries. Simulations were performed to guide the design of the injector to achieve a variety of intended performance goals. For example, two GCSC injectors were designed to achieve stable hydrodynamic behavior of the propellant circuits while providing the largest thermal margin possible within the design envelope. While another injector was designed

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

    Directory of Open Access Journals (Sweden)

    Taco-Vasquez S.

    2013-04-01

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

  4. Aromatic hydrocarbons

    International Nuclear Information System (INIS)

    Roder, M.

    1985-01-01

    Papers dealing with radiolysis of aromatic hydrocarbons of different composition (from benzene to terphenyls and hydrocarbons with condensed rings) as well as their mixtures (with alkanes, alkenes, other aromatic hydrocarbons) are reviewed. High radiation stability of aromatic hydrocarbons in condensed phases associated with peculiarities of molecular structure of compounds is underlined. Mechanisms of radiolytic processes, vaues of product yields are considered

  5. Studies in combustion dynamics

    Energy Technology Data Exchange (ETDEWEB)

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

    1993-12-01

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

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

    Energy Technology Data Exchange (ETDEWEB)

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

    2007-03-15

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

  7. Collections for terminology in chemistry

    International Nuclear Information System (INIS)

    1974-08-01

    This book describes terminology in chemistry, which is divided into seven chapters. The contents of this book are element name, names of an inorganic compound such as ion and radical and polyacid, an organic compound on general principle and names, general terminology 1 and 2, unit and description method on summary, unit and the symbol for unit, number and pH, Korean mark for people's name in chemistry, names of JUPAC organic compound of summary, hydrocarbons, fused polycyclic hydrocarbons, bridged hydrocarbons, cyclic hydrocarbons with side chains, terpenes hydrocarbons, fundamental heterocyclic systems and heterocyclic spiro compounds.

  8. Twenty-fifth symposium (international) on combustion

    International Nuclear Information System (INIS)

    Anon.

    1994-01-01

    Approximately two-thirds of the papers presented at this conference are contained in this volume. The other one-third appear in special issues of ''Combustion and Flame'', Vol. 99, 1994 and Vol. 100, 1995. Papers are divided into the following sections: Supersonic combustion; Detonations and explosions; Internal combustion engines; Practical aspects of combustion; Incineration and wastes; Sprays and droplet combustion; Coal and organic solids combustion; Soot and polycyclic aromatic hydrocarbons; Reaction kinetics; NO x ; Turbulent flames; Turbulent combustion; Laminar flames; Flame spread, fire and halogenated fire suppressants; Global environmental effects; Ignition; Two-phase combustion; Solid propellant combustion; Materials synthesis; Microgravity; and Experimental diagnostics. Papers have been processed separately for inclusion on the data base

  9. Near wall combustion modeling in spark ignition engines. Part B: Post-flame reactions

    International Nuclear Information System (INIS)

    Demesoukas, Sokratis; Caillol, Christian; Higelin, Pascal; Boiarciuc, Andrei; Floch, Alain

    2015-01-01

    Highlights: • Models for the post flame reactions (CO and hydrocarbons) and heat release rate are proposed. • ‘Freezing’ effect of CO kinetics is captured but equilibrium CO concentrations are low. • Reactive–diffusive processes are modeled for hydrocarbons and the last stage of combustion is captured. - Abstract: Reduced fuel consumption, low pollutant emissions and adequate output performance are key features in the contemporary design of spark ignition engines. Zero-dimensional numerical simulation is an attractive alternative to engine experiments for the evaluation of various engine configurations. Both flame front reaction and post-flame processes contribute to the heat release rate. The contribution of this work is to highlight and model the role of post-flame reactions (CO and hydrocarbons) in the heat release rate. The modeling approach to CO kinetics used two reactions considered to be dominant and thus more suitable for the description of CO chemical mechanism. Equilibrium concentrations of all the species involved were calculated by a two-zone thermodynamic model. The computed characteristic time of CO kinetics was found to be of a similar order to the results of complex chemistry simulations. The proposed model captured the ‘freezing’ effect (reaction rate is almost zero) for temperatures lower than 1800 K and followed the trends of the measured values at exhaust. However, a consistent underestimation of CO levels at the exhaust was observed. The impact of the remaining CO on the combustion efficiency is considerable especially for rich mixtures. For a remaining 0.4% CO mass fraction, the impact on combustion inefficiency is 0.1%. Unburnt hydrocarbon, which have not reacted within the flame front before quenching, diffuse in the burnt gas and react. In this work, a global reaction rate models the kinetic behavior of hydrocarbon. The diffusion process was modeled by a relaxation equation applied on the calculated kinetic concentration

  10. NOx reduction and NO2 emission characteristics in rich-lean combustion of hydrogen

    OpenAIRE

    Shudo, Toshio; Omori, Kento; Hiyama, Osamu

    2008-01-01

    Hydrogen is a clean alternative to conventional hydrocarbon fuels, but it is very important to reduce the nitrogen oxides (NOx) emissions generated by hydrogen combustion. The rich-lean combustion or staged combustion is known to reduce NOx emissions from continuous combustion burners such as gas turbines and boilers, and NOx reduction effects have been demonstrated for hydrocarbon fuels. The authors applied rich-lean combustion to a hydrogen gas turbine and showed its NOx reduction effect in...

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

    Energy Technology Data Exchange (ETDEWEB)

    Lighty, J.S.; Veranth, J.M.; Sarofim, A.F. [University of Utah, Salt Lake City, UT (USA). Dept. of Chemical and Fuels Engineering

    2000-09-01

    Particulate matter (PM) emissions from stationary combustion sources burning coal, fuel oil, biomass, and waste, and PM from internal combustion (IC) engines burning gasoline and diesel, are a significant source of primary particles smaller than 2.5 {mu}m (PM{sub 2.5}) in urban areas. Combustion-generated particles are generally smaller than geologically produced dust and have unique chemical composition and morphology. The fundamental processes affecting formation of combustion PM and the emission characteristics of important applications are reviewed. Particles containing transition metals, ultrafine particles, and soot are emphasized because these types of particles have been studied extensively, and their emissions are controlled by the fuel composition and the oxidant-temperature-mixing history from the flame to the stack. There is a need for better integration of the combustion, air pollution control, atmospheric chemistry, and inhalation health research communities. Epidemiology has demonstrated that susceptible individuals are being harmed by ambient PM. Particle surface area, number of ultrafine particles, bioavailable transition metals, polycyclic aromatic hydrocarbons (PAH), and other particle-bound organic compounds are suspected to be more important than particle mass in determining the effects of air pollution. Time and size-resolved PM measurements are needed for testing mechanistic toxicological hypotheses, for characterizing the relationship between combustion operating conditions and transient emissions, and for source apportionment studies to develop air quality plans. Citations are provided to more specialized reviews, and the concluding comments make suggestions for further research. 464 refs., 22 figs., 10 tabs.

  12. Mathematical Modeling in Combustion Science

    CERN Document Server

    Takeno, Tadao

    1988-01-01

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

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

    Energy Technology Data Exchange (ETDEWEB)

    Rullaud, M

    2004-06-01

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

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

    Energy Technology Data Exchange (ETDEWEB)

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

    2008-07-01

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

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

    Science.gov (United States)

    Nalim, M. Razi

    1995-01-01

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

  16. Resonance ionization detection of combustion radicals

    Energy Technology Data Exchange (ETDEWEB)

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

    1993-12-01

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

  17. Sandia Combustion Research Program

    Energy Technology Data Exchange (ETDEWEB)

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

    1988-01-01

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

  18. Petroleum hydrocarbons

    International Nuclear Information System (INIS)

    Farrington, J.W.; Teal, J.M.; Parker, P.L.

    1976-01-01

    Methods for analysis of petroleum hydrocarbons in marine samples are presented. Types of hydrocarbons present and their origins are discussed. Principles and methods of analysis are outlined. Infrared spectrometry, uv spectrometry, gas chromatography, mass spectroscopy, and carbon 14 measurements are described

  19. Recent Trends in the Production, Combustion and Modeling of Furan-Based Fuels

    Directory of Open Access Journals (Sweden)

    Mazen A. Eldeeb

    2018-02-01

    Full Text Available There is growing interest in the use of furans, a class of alternative fuels derived from biomass, as transportation fuels. This paper reviews recent progress in the characterization of its combustion properties. It reviews their production processes, theoretical kinetic explorations and fundamental combustion properties. The theoretical efforts are focused on the mechanistic pathways for furan decomposition and oxidation, as well as the development of detailed chemical kinetic models. The experiments reviewed are mostly concerned with the temporal evolutions of homogeneous reactors and the propagation of laminar flames. The main thrust in homogeneous reactors is to determine global chemical time scales such as ignition delay times. Some studies have adopted a comparative approach to bring out reactivity differences. Chemical kinetic models with varying degrees of predictive success have been established. Experiments have revealed the relative behavior of their combustion. The growing body of literature in this area of combustion chemistry of alternative fuels shows a great potential for these fuels in terms of sustainable production and engine performance. However, these studies raise further questions regarding the chemical interactions of furans with other hydrocarbons. There are also open questions about the toxicity of the byproducts of combustion.

  20. Preparing valuable hydrocarbons by hydrogenation

    Energy Technology Data Exchange (ETDEWEB)

    Pier, M

    1930-08-22

    A process is described for the preparation of valuable hydrocarbons by treatment of carbonaceous materials, like coal, tars, minerals oils, and their distillation and conversion products, and for refining of liquid hydrocarbon mixture obtained at raised temperature and under pressure, preferably in the presence of catalysts, by the use of hydrogen-containing gases, purified and obtained by distilling solid combustibles, characterized by the purification of the hydrogen-containing gases being accomplished for the purpose of practically complete removal of the oxygen by heating at ordinary or higher pressure in the presence of a catalyst containing silver and oxides of metals of group VI of the periodic system.

  1. Molten salt combustion of radioactive wastes

    International Nuclear Information System (INIS)

    Grantham, L.F.; McKenzie, D.E.; Richards, W.L.; Oldenkamp, R.D.

    1976-01-01

    The Atomics International Molten Salt Combustion Process reduces the weight and volume of combustible β-γ contaminated transuranic waste by utilizing air in a molten salt medium to combust organic materials, to trap particulates, and to react chemically with any acidic gases produced during combustion. Typically, incomplete combustion products such as hydrocarbons and carbon monoxide are below detection limits (i.e., 3 ) is directly related to the sodium chloride vapor pressure of the melt; >80% of the particulate is sodium chloride. Essentially all metal oxides (combustion ash) are retained in the melt, e.g., >99.9% of the plutonium, >99.6% of the europium, and >99.9% of the ruthenium are retained in the melt. Both bench-scale radioactive and pilot scale (50 kg/hr) nonradioactive combustion tests have been completed with essentially the same results. Design of three combustors for industrial applications are underway

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

    Science.gov (United States)

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

    2016-01-01

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

  3. Organometallic chemistry of metal surfaces

    International Nuclear Information System (INIS)

    Muetterties, E.L.

    1981-06-01

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

  4. Infrared monitoring of combustion

    International Nuclear Information System (INIS)

    Bates, S.C.; Morrison, P.W. Jr.; Solomon, P.R.

    1991-01-01

    In this paper, the use of Fourier Transform Infrared (FT-IR) spectroscopy for combustion monitoring is described. A combination of emission, transmission, and reflection FT-IR spectroscopy yields data on the temperature and composition of the gases, surfaces and suspended particles in the combustion environment. Detection sensitivity of such trace exhaust gases as CO, CO 2 , SO 2 , NO x , and unburned hydrocarbons is at the ppm level. Tomographic reconstruction converts line-of-sight measurements into spatially resolved temperature and concentration data. Examples from various combustion processes are used to demonstrate the capabilities of the technique. Industrial measurements are described that have been performed directly in the combustion zone and in the exhaust duct of a large chemical recovery boiler. Other measurements of hot slag show how FT-IR spectroscopy can determine the temperature and optical properties of surfaces. In addition, experiments with water droplets show that transmission FT-IR data yield spectra that characterize particle size and number density

  5. Theoretical Studies of Elementary Hydrocarbon Species and Their Reactions

    Energy Technology Data Exchange (ETDEWEB)

    Allen, Wesley D. [University of Georgia, Department of Chemistry and Center for Computational Quantum Chemistry; Schaefer, Henry F. [University of Georgia, Center for Computational Quantum Chemistry

    2018-04-08

    The research program supported by this DOE grant carried out both methodological development and computational applications of first-principles theoretical chemistry based on quantum mechanical wavefunctions, as directed toward understanding and harnessing the fundamental chemical physics of combustion. To build and refine the world’s database of thermochemistry, spectroscopy, and chemical kinetics, predictive and definitive computational methods are needed that push the envelope of modern electronic structure theory. The application of such methods has been made to gain comprehensive knowledge of the paradigmatic reaction networks by which the n- and i-propyl, t-butyl, and n-butyl radicals are oxidized by O2. Numerous ROO and QOOH intermediates in these R + O2 reaction systems have been characterized along with the interconnecting isomerization transition states and the barriers leading to fragmentation. Other combustion-related intermediates have also been studied, including methylsulfinyl radical, cyclobutylidene, and radicals derived from acetaldehyde and vinyl alcohol. Theoretical advances have been achieved and made available to the scientific community by implementation into PSI4, an open-source electronic structure computer package emphasizing automation, advanced libraries, and interoperability. We have pursued the development of universal explicitly correlated methods applicable to general electronic wavefunctions, as well as a framework that allows multideterminant reference functions to be expressed as a single determinant from quasiparticle operators. Finally, a rigorous analytical tool for correlated wavefunctions has been created to elucidate dispersion interactions, which play essential roles in many areas of chemistry, but whose effects are often masked and enigmatic. Our research decomposes and analyzes the coupled-cluster electron correlation energy in molecular systems as a function of interelectronic distance. Concepts

  6. Mid-IR Absorption Cross-Section Measurements of Hydrocarbons

    KAUST Repository

    Alrefae, Majed Abdullah

    2013-01-01

    -known at combustion-relevant conditions. Absorption cross-section is an important spectroscopic quantity and has direct relation to the species concentration. In this work, the absorption cross-sections of basic hydrocarbons are measured using Fourier Transform

  7. DOE fundamentals handbook: Chemistry

    International Nuclear Information System (INIS)

    1993-01-01

    This handbook was developed to assist nuclear facility operating contractors in providing operators, maintenance personnel, and the technical staff with the necessary fundamentals training to ensure a basic understanding of chemistry. This volume contains the following modules: reactor water chemistry (effects of radiation on water chemistry, chemistry parameters), principles of water treatment (purpose; treatment processes [ion exchange]; dissolved gases, suspended solids, and pH control; water purity), and hazards of chemicals and gases (corrosives [acids, alkalies], toxic compounds, compressed gases, flammable/combustible liquids)

  8. Combustion engineering

    CERN Document Server

    Ragland, Kenneth W

    2011-01-01

    Introduction to Combustion Engineering The Nature of Combustion Combustion Emissions Global Climate Change Sustainability World Energy Production Structure of the Book   Section I: Basic Concepts Fuels Gaseous Fuels Liquid Fuels Solid Fuels Problems Thermodynamics of Combustion Review of First Law Concepts Properties of Mixtures Combustion StoichiometryChemical EnergyChemical EquilibriumAdiabatic Flame TemperatureChemical Kinetics of CombustionElementary ReactionsChain ReactionsGlobal ReactionsNitric Oxide KineticsReactions at a Solid SurfaceProblemsReferences  Section II: Combustion of Gaseous and Vaporized FuelsFlamesLaminar Premixed FlamesLaminar Flame TheoryTurbulent Premixed FlamesExplosion LimitsDiffusion FlamesGas-Fired Furnaces and BoilersEnergy Balance and EfficiencyFuel SubstitutionResidential Gas BurnersIndustrial Gas BurnersUtility Gas BurnersLow Swirl Gas BurnersPremixed-Charge Engine CombustionIntroduction to the Spark Ignition EngineEngine EfficiencyOne-Zone Model of Combustion in a Piston-...

  9. Environmental optimisation of waste combustion

    Energy Technology Data Exchange (ETDEWEB)

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

    2000-12-01

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

  10. Production of hydrocarbons of value

    Energy Technology Data Exchange (ETDEWEB)

    1931-06-16

    A process is described for the production of hydrocarbons of great value by treating with heat and pressure carbonaceous materials such as coals, tars, mineral oils, and products of distillation and transformation of these materials, also for the refining with heat and pressure of mixed liquid hydrocarbons by means of hydrogen gas, preferably in the presence of catalysts, consisting in using as the hydrogenating gas that obtained by gasification of combustible solids after partial or complete cleaning at atmospheric or elevated pressures, by means of solid adsorbents, chemical agents or catalysts, or mixtures of these agents, the hydrocarbons being characterized by strong unsaturation, and the presence of oxygen, sulfur compounds, and oxides of nitrogen.

  11. Process of distilling heavy hydrocarbons

    Energy Technology Data Exchange (ETDEWEB)

    1929-12-03

    This invention has for its object the distillation of heavy liquid hydrocarbons for the purpose of obtaining lighter hydrocarbons stable and immediately salable for fuels in combustion motors. The process is distinguished by the fact that the heavy hydrocarbon is distilled by means of heating to a temperature in keeping with the nature of the material to be treated up to 350/sup 0/C under pressure or without pressure the distillation being carried out on catalysts containing successively nickel, copper, and iron (3 parts of nickel, 1 part of copper, and 1 part of iron), the vapors produced by this distillation being exposed in turn to the action of catalysts of the same nature and in the same proportion.

  12. A Free-Radical Pathway to Hydrogenated Phenanthrene in Molecular Clouds-Low Temperature Growth of Polycyclic Aromatic Hydrocarbons.

    Science.gov (United States)

    Thomas, Aaron M; Lucas, Michael; Yang, Tao; Kaiser, Ralf I; Fuentes, Luis; Belisario-Lara, Daniel; Mebel, Alexander M

    2017-08-05

    The hydrogen-abstraction/acetylene-addition mechanism has been fundamental to unravelling the synthesis of polycyclic aromatic hydrocarbons (PAHs) detected in combustion flames and carbonaceous meteorites like Orgueil and Murchison. However, the fundamental reaction pathways accounting for the synthesis of complex PAHs, such as the tricyclic anthracene and phenanthrene along with their dihydrogenated counterparts, remain elusive to date. By investigating the hitherto unknown chemistry of the 1-naphthyl radical with 1,3-butadiene, we reveal a facile barrierless synthesis of dihydrophenanthrene adaptable to low temperatures. These aryl-type radical additions to conjugated hydrocarbons via resonantly stabilized free-radical intermediates defy conventional wisdom that PAH growth is predominantly a high-temperature phenomenon and thus may represent an overlooked path to PAHs as complex as coronene and corannulene in cold regions of the interstellar medium like in the Taurus Molecular Cloud. © 2017 Wiley-VCH Verlag GmbH & Co. KGaA, Weinheim.

  13. Combustion engine. [for air pollution control

    Science.gov (United States)

    Houseman, J. (Inventor)

    1977-01-01

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

  14. Purifying hydrocarbons

    Energy Technology Data Exchange (ETDEWEB)

    Demoulins, H D; Garner, F H

    1923-02-07

    Hydrocarbon distillates, including natural gases and vapors produced by cracking hydrocarbon oils, are desulfurized etc. by treating the vapor with an aqueous alkaline solution of an oxidizing agent. The hydrocarbons may be previously purified by sulfuric acid. In examples aqueous solutions of sodium or calcium hydrochlorite containing 1.5 to 5.0 grams per liter of available chlorine and sufficient alkali to give an excess of 0.1 percent in the spent reagent are preheated to the temperature of the vapor, and either sprayed or atomized into the vapors near the outlet of the dephlegmator or fractionating tower, or passed in countercurrent to the vapors through one or a series of scrubbers.

  15. Research in Supercritical Fuel Properties and Combustion Modeling

    Science.gov (United States)

    2015-09-18

    identified reactions needing further study and C-2 and C-3 species to add to the mechanism . 15. SUBJECT TERMS Supercritical fluids , Brillouin scattering...kinetics mechanism for combustion of hydrocarbon fuels containing up to 2 carbon atoms, including uncertainties. • We identified key reactions and...safety. The chemical mechanisms for combustion of all of these fuels share the same set of elementary reactions of smaller-fragment hydrocarbons , and

  16. Example Problems in LES Combustion

    Science.gov (United States)

    2016-09-26

    Lesieur, M., Turbulence in Fluids , 2nd Revised Ed., Fluid Mechanics and Its Applications, Vol. 1, Kluwer Academic Publishers, Boston, Massachusetts, 1990...34, Journal of Fluid Mechanics , Vol. 238, 1992, pp. 155-185. 5. Hirsch, C., Numerical Computation of Internal and External Flows, Vol. 2, Computational...reaction mechanisms for the oxidation of hydrocarbon fuels in flames", Combustion Science and Technology, Vol. 27, 1981, pp. 31-43. 14. Spalding, D.B

  17. Global climate change due to the hydrocarbon industry

    International Nuclear Information System (INIS)

    Almasi, M.; Racz, L.

    1999-01-01

    An overview is presented on the industry's response to the agreements of the Rio de Janeiro (1992) and Kyoto (1987) conventions on climate change, and to other international agreements. The announcements by large petroleum companies on the changes introduced according to the international commitments in order to fight climatic impacts of hydrocarbon fuels. The problems and foreseeable future of the Hungarian hydrocarbon industry with environmental protection are discussed. Finally, emission abatement and control possibilities of hydrocarbon combustion are considered. (R.P.)

  18. Pulsating combustion - Combustion characteristics and reduction of emissions

    Energy Technology Data Exchange (ETDEWEB)

    Lindholm, Annika

    1999-11-01

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

  19. Formation of polycyclic aromatic hydrocarbons in circumstellar envelopes

    International Nuclear Information System (INIS)

    Frenklach, M.; Feigelson, E.D.

    1989-01-01

    Production of polycyclic aromatic hydrocarbons in carbon-rich circumstellar envelopes was investigated using a kinetic approach. A detailed chemical reaction mechanism of gas-phase PAH formation and growth, containing approximately 100 reactions of 40 species, was numerically solved under the physical conditions expected in cool stellar winds. The chemistry is based on studies of soot production in hydrocarbon pyrolysis and combustion. Several first-ring and second-ring cyclization processes were considered. A linear lumping algorithm was used to describe PAH growth beyond the second aromatic ring. PAH production using this mechanism was examined with respect to a grid of idealized constant velocity stellar winds as well as several published astrophysical models. The basic result is that the onset of PAH production in the interstellar envelopes is predicted to occur within the temperature interval of 1100 to 900 K. The absolute amounts of the PAHs formed, however, are very sensitive to a number of parameters, both chemical and astrophysical, whose values are not accurately known. Astrophysically meaningful quantities of PAHs require particularly dense and slow stellar winds and high initial acetylene abundance. It is suggested that most of the PAHs may be produced in a relatively small fraction of carbon-rich red giants. 87 refs

  20. Purifying hydrocarbons

    Energy Technology Data Exchange (ETDEWEB)

    Dunstan, A E

    1918-06-03

    Ligroin, kerosene, and other distillates from petroleum and shale oil, are purified by treatment with a solution of a hypochlorite containing an excess of alkali. The hydrocarbon may be poured into brine, the mixture stirred, and an electric current passed through. Heat may be applied.

  1. Catalytic combustion in small wood burning appliances

    Energy Technology Data Exchange (ETDEWEB)

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

    1996-12-31

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

  2. Catalytic combustion in small wood burning appliances

    Energy Technology Data Exchange (ETDEWEB)

    Oravainen, H [VTT Energy, Jyvaeskylae (Finland)

    1997-12-31

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

  3. A turbulent time scale based k–ε model for probability density function modeling of turbulence/chemistry interactions: Application to HCCI combustion

    International Nuclear Information System (INIS)

    Maroteaux, Fadila; Pommier, Pierre-Lin

    2013-01-01

    Highlights: ► Turbulent time evolution is introduced in stochastic modeling approach. ► The particles number is optimized trough a restricted initial distribution. ► The initial distribution amplitude is modeled by magnitude of turbulence field. -- Abstract: Homogenous Charge Compression Ignition (HCCI) engine technology is known as an alternative to reduce NO x and particulate matter (PM) emissions. As shown by several experimental studies published in the literature, the ideally homogeneous mixture charge becomes stratified in composition and temperature, and turbulent mixing is found to play an important role in controlling the combustion progress. In a previous study, an IEM model (Interaction by Exchange with the Mean) has been used to describe the micromixing in a stochastic reactor model that simulates the HCCI process. The IEM model is a deterministic model, based on the principle that the scalar value approaches the mean value over the entire volume with a characteristic mixing time. In this previous model, the turbulent time scale was treated as a fixed parameter. The present study focuses on the development of a micro-mixing time model, in order to take into account the physical phenomena it stands for. For that purpose, a (k–ε) model is used to express this micro-mixing time model. The turbulence model used here is based on zero dimensional energy cascade applied during the compression and the expansion cycle; mean kinetic energy is converted to turbulent kinetic energy. Turbulent kinetic energy is converted to heat through viscous dissipation. Besides, in this study a relation to calculate the initial heterogeneities amplitude is proposed. The comparison of simulation results against experimental data shows overall satisfactory agreement at variable turbulent time scale

  4. Combustion physics

    Science.gov (United States)

    Jones, A. R.

    1985-11-01

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

  5. Flammability characteristics of combustible gases and vapors

    Energy Technology Data Exchange (ETDEWEB)

    Zabetakis, M. G. [Bureau of Mines, Pittsburgh, PA (United States)

    1964-05-01

    This is a summary of the available limit of flammability, autoignition and burning-rate data for more than 200 combustible gases and vapors in air and other oxidants, as well as of empirical rules and graphs that can be used to predict similar data for thousands of other combustibles under a variety of environmental conditions. Spec$c data are presented on the paraffinic, unsaturated, aromatic, and alicyclic hydrocarbons, alcohols, ethers, aldehydes, ketones, and sulfur compounds, and an assortment of fuels, fuel blends, hydraulic fluids, engine oils, and miscellaneous combustible gases and vapors.

  6. 3rd International Conference on Numerical Combustion

    CERN Document Server

    Larrouturou, Bernard; Numerical Combustion

    1989-01-01

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

  7. IEA combustion agreement : a collaborative task on alternative fuels in combustion

    International Nuclear Information System (INIS)

    Larmi, M.

    2009-01-01

    The focus of the alternative fuels in combustion task of the International Energy Agency is on high efficiency engine combustion, furnace combustion, and combustion chemistry. The objectives of the task are to develop optimum combustion for dedicated fuels by fully utilizing the physical and chemical properties of synthetic and renewable fuels; a significant reduction in carbon dioxide, NOx and particulate matter emissions; determine the minimum emission levels for dedicated fuels; and meet future emission standards of engines without or with minimum after-treatment. This presentation discussed the alternative fuels task and addressed issues such as synthetic fuel properties and benefits. The anticipated future roadmap was presented along with a list of the synthetic and renewable engine fuels to be studied, such as neat oxygenates like alcohols and ethers, biogas/methane and gas combustion, fuel blends, dual fuel combustion, high cetane number diesel fuels like synthetic Fischer-Tropsch diesel fuel and hydrogenated vegetable oil, and low CN number fuels. Implementation examples were also discussed, such as fuel spray studies in optical spray bombs; combustion research in optical engines and combustion chambers; studies on reaction kinetics of combustion and emission formation; studies on fuel properties and ignition behaviour; combustion studies on research engines; combustion optimization; implementing the optimum combustion in research engines; and emission measurements. Overall milestone examples and the overall schedule of participating countries were also presented. figs.

  8. Electrostatically atomised hydrocarbon sprays

    Energy Technology Data Exchange (ETDEWEB)

    Yule, A.J.; Shrimpton, J.S.; Watkins, A.P.; Balachandran, W.; Hu, D. [UMIST, Manchester (United Kingdom). Thermofluids Division, Dept. of Mechanical Engineering

    1995-07-01

    A burner using an electrostatic method to produce and control a fuel spray is investigated for non-burning sprays. The burner has a charge injection nozzle and the liquid flow rate and charge injection rate are varied using hydrocarbon liquids of differing viscosities, surface tensions and electrical conductivities (kerosene, white spirit and diesel oil). Droplet size distributions are measured and it is shown how the dropsize, spray pattern, breakup mechanism and breakup length depend on the above variables, and in particular on the specific charge achieved in the spray. The data are valuable for validating two computer models under development. One predicts the electric field and flow field inside the nozzle as a function of emitter potential, geometry and flow rate. The other predicts the effect of charge on spray dispersion, with a view to optimizing spray combustion. It is shown that electrostatic disruptive forces can be used to atomize oils at flow rates commensurate with practical combustion systems and that the charge injection technique is particularly suitable for highly resistive liquids. Possible limitations requiring further research include the need to control the wide spray angle, which may provide fuel-air mixtures too lean near the nozzle, and the need to design for maximum charge injection rate, which is thought to be limited by corona breakdown in the gas near the nozzle orifice. 30 refs., 15 figs., 1 tab.

  9. Combustion and utilization of low calorific value gases (LCVG)

    Energy Technology Data Exchange (ETDEWEB)

    Kishore, Puneet; Ray, Anjan

    2010-09-15

    Combustion becomes increasingly difficult / inefficient / impossible with decrease in hydrocarbon content / calorific value of gas with available technologies. Through analysis it was postulated that Low Calorific Value Gas would be combustible with Oxygen in existing burner equipment with minor changes, and experimentally tested in the laboratory. The broad conclusion is that LCVG (with 8% or more Hydrocarbon content) could be combusted as efficiently as a normal High CV natural gas. This creates opportunity to translate significant promise and potential of LCVG from a variety of un-conventional sources globally into reliable long term energy resources.

  10. Chemical kinetics and combustion modeling

    Energy Technology Data Exchange (ETDEWEB)

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

    1993-12-01

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

  11. Biofuels combustion.

    Science.gov (United States)

    Westbrook, Charles K

    2013-01-01

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

  12. Modeling of Plasma Assisted Combustion

    Science.gov (United States)

    Akashi, Haruaki

    2012-10-01

    Recently, many experimental study of plasma-assisted combustion has been done. However, numerous complex reactions in combustion of hydrocarbons are preventing from theoritical study for clarifying inside the plasma-assisted combustion, and the effect of plasma-assist is still not understood. Shinohara and Sasaki [1,2] have reported that the shortening of flame length by irradiating microwave without increase of gas temperature. And they also reported that the same phenomena would occur when applying dielectric barrier discharges to the flame using simple hydrocarbon, methane. It is suggested that these phenomena may result by the electron heating. To clarify this phenomena, electron behavior under microwave and DBD was examined. For the first step of DBD plasma-assisted combustion simulation, electron Monte Carlo simulation in methane, oxygen and argon mixture gas(0.05:0.14:0.81) [2] has been done. Electron swarm parameters are sampled and electron energy distribution function (EEDF)s are also determined. In the combustion, gas temperature is higher(>1700K), so reduced electric field E/N becomes relatively high(>10V/cm/Torr). The electrons are accelerated to around 14 eV. This result agree with the optical emission from argon obtained by the experiment of reference [2]. Dissociation frequency of methane and oxygens are obtained in high. This might be one of the effect of plasma-assist. And it is suggested that the electrons should be high enough to dissociate methane, but plasma is not needed.[4pt] [1] K. Shinohara et al, J. Phys. D:Appl. Phys., 42, 182008 (1-7) (2009).[0pt] [2] K. Sasaki, 64th Annual Gaseous Electronic Conference, 56, 15 CT3.00001(2011).

  13. Cracking hydrocarbons

    Energy Technology Data Exchange (ETDEWEB)

    Forwood, G F; Lane, M; Taplay, J G

    1921-10-07

    In cracking and hydrogenating hydrocarbon oils by passing their vapors together with steam over heated carbon derived from shale, wood, peat or other vegetable or animal matter, the gases from the condenser are freed from sulfuretted hydrogen, and preferably also from carbon dioxide, and passed together with oil vapors and steam through the retort. Carbon dioxide may be removed by passage through slaked lime, and sulfuretted hydrogen by means of hydrated oxide of iron. Vapors from high-boiling oils and those from low-boiling oils are passed alternately through the retort, so that carbon deposited from the high-boiling oils is used up during treatment of low-boiling oils.

  14. Distilling hydrocarbons

    Energy Technology Data Exchange (ETDEWEB)

    Bataafsche, N V; de Brey, J H.C.

    1918-10-30

    Hydrocarbons containing a very volatile constituent and less volatile constituents, such as casing-head gases, still gases from the distillation of crude petroleum and bituminous shale are separated into their constituents by rectification under pressure; a pressure of 20 atmospheres and limiting temperatures of 150/sup 0/C and 40/sup 0/C are mentioned as suitable. The mixture may be subjected to a preliminary treatment consisting in heating to a temperature below the maximum rectification temperature at a pressure greater than that proposed to be used in the rectification.

  15. Radiation chemistry

    International Nuclear Information System (INIS)

    Rodgers, F.; Rodgers, M.A.

    1987-01-01

    The contents of this book include: Interaction of ionizing radiation with matter; Primary products in radiation chemistry; Theoretical aspects of radiation chemistry; Theories of the solvated electron; The radiation chemistry of gases; Radiation chemistry of colloidal aggregates; Radiation chemistry of the alkali halides; Radiation chemistry of polymers; Radiation chemistry of biopolymers; Radiation processing and sterilization; and Compound index

  16. Hydrogen assisted diesel combustion

    Energy Technology Data Exchange (ETDEWEB)

    Lilik, Gregory K.; Boehman, Andre L. [The EMS Energy Institute, The Pennsylvania State University, University Park, PA 16802 (United States); Zhang, Hedan; Haworth, Daniel C. [Department of Mechanical and Nuclear Engineering, The Pennsylvania State University, University Park, PA 16802 (United States); Herreros, Jose Martin [Escuela Tecnica Superior de Ingenieros Industriales, Universidad de Castilla La-Mancha, Avda. Camilo Jose Cela s/n, 13071 Ciudad Real (Spain)

    2010-05-15

    Hydrogen assisted diesel combustion was investigated on a DDC/VM Motori 2.5L, 4-cylinder, turbocharged, common rail, direct injection light-duty diesel engine, with a focus on exhaust emissions. Hydrogen was substituted for diesel fuel on an energy basis of 0%, 2.5%, 5%, 7.5%, 10% and 15% by aspiration of hydrogen into the engine's intake air. Four speed and load conditions were investigated (1800 rpm at 25% and 75% of maximum output and 3600 rpm at 25% and 75% of maximum output). A significant retarding of injection timing by the engine's electronic control unit (ECU) was observed during the increased aspiration of hydrogen. The retarding of injection timing resulted in significant NO{sub X} emission reductions, however, the same emission reductions were achieved without aspirated hydrogen by manually retarding the injection timing. Subsequently, hydrogen assisted diesel combustion was examined, with the pilot and main injection timings locked, to study the effects caused directly by hydrogen addition. Hydrogen assisted diesel combustion resulted in a modest increase of NO{sub X} emissions and a shift in NO/NO{sub 2} ratio in which NO emissions decreased and NO{sub 2} emissions increased, with NO{sub 2} becoming the dominant NO{sub X} component in some combustion modes. Computational fluid dynamics analysis (CFD) of the hydrogen assisted diesel combustion process captured this trend and reproduced the experimentally observed trends of hydrogen's effect on the composition of NO{sub X} for some operating conditions. A model that explicitly accounts for turbulence-chemistry interactions using a transported probability density function (PDF) method was better able to reproduce the experimental trends, compared to a model that ignores the influence of turbulent fluctuations on mean chemical production rates, although the importance of the fluctuations is not as strong as has been reported in some other recent modeling studies. The CFD results confirm

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

    International Nuclear Information System (INIS)

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

    2005-01-01

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

  18. Numerical simulation of turbulent combustion: Scientific challenges

    Science.gov (United States)

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

    2014-08-01

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

  19. Final Technical Report: Vibrational Spectroscopy of Transient Combustion Intermediates Trapped in Helium Nanodroplets

    Energy Technology Data Exchange (ETDEWEB)

    Douberly, Gary Elliott [Univ. of Georgia, Athens, GA (United States)

    2017-11-16

    The objective of our experimental research program is to isolate and stabilize transient intermediates and products of prototype combustion reactions. This will be accomplished by Helium Nanodroplet Isolation, a novel technique where liquid helium droplets freeze out high energy metastable configurations of a reacting system, permitting infrared spectroscopic characterizations of products and intermediates that result from hydrocarbon radical reactions with molecular oxygen and other small molecules relevant to combustion environments. The low temperature (0.4 K) and rapid cooling associated with He droplets provides a perfectly suited medium to isolate and probe a broad range of molecular radical and carbene systems important to combustion chemistry. The sequential addition of molecular species to He droplets often leads to the stabilization of high-energy, metastable cluster configurations that represent regions of the potential energy surface far from the global minimum. Single and double resonance IR laser spectroscopy techniques, along with Stark and Zeeman capabilities, are being used to probe the structural and dynamical properties of these systems.

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

    Science.gov (United States)

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

    2014-01-14

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

  1. Hydrocarbon oils

    Energy Technology Data Exchange (ETDEWEB)

    Foorwood, G F; Taplay, J G

    1916-12-12

    Hydrocarbon oils are hydrogenated, cracked, or treated for the removal of sulfur by bringing their vapors mixed with steam at temperatures between 450 and 600/sup 0/C into contact with a form of carbon that is capable of decomposing steam with the production of nascent hydrogen at those temperatures. The forms of carbon used include lamp-black, soot, charcoals derived from wood, cellulose, and lignite, and carbons obtained by carbonizing oil residues and other organic bodies at temperatures below 600/sup 0/C. The process is applied to the treatment of coal oil, shale oil, petroleum, and lignite oil. In examples, kerosene is cracked at 570/sup 0/C, cracked spirit is hydrogenated at 500/sup 0/C, and shale spirit is desulfurized at 530/sup 0/C. The products are led to a condenser and thence to a scrubber, where they are washed with creosote oil. After desulfurization, the products are washed with dilute caustic soda to remove sulfurretted hydrogen.

  2. Hydrocarbon exploration

    Energy Technology Data Exchange (ETDEWEB)

    Lerche, I. (South Carolina Univ., Columbia, SC (United States). Dept. of Geological Sciences)

    1993-01-01

    This special issue of the journal examines various aspects of the on-going search for hydrocarbons, ranging from frontier basins where little data are available, to more mature areas where considerable data are available. The incentives underlying the search for oil are roughly: the social, economic and industrial needs of a nation; the incentive of a corporation to be profitable; and the personal incentives of individuals in the oil industry and governments, which range from financial wealth to power and which are as diverse as the individuals who are involved. From a geopolitical perspective, the needs, requirements, goals, strategies, and philosophies of nations, and groups of nations, also impact on the oil exploration game. Strategies that have been employed have ranged from boycott to austerity and rationing, to physical intervention, to global ''flooding'' with oil by over-production. (author)

  3. Reduced Order Modeling of Combustion Instability in a Gas Turbine Model Combustor

    Science.gov (United States)

    Arnold-Medabalimi, Nicholas; Huang, Cheng; Duraisamy, Karthik

    2017-11-01

    Hydrocarbon fuel based propulsion systems are expected to remain relevant in aerospace vehicles for the foreseeable future. Design of these devices is complicated by combustion instabilities. The capability to model and predict these effects at reduced computational cost is a requirement for both design and control of these devices. This work focuses on computational studies on a dual swirl model gas turbine combustor in the context of reduced order model development. Full fidelity simulations are performed utilizing URANS and Hybrid RANS-LES with finite rate chemistry. Following this, data decomposition techniques are used to extract a reduced basis representation of the unsteady flow field. These bases are first used to identify sensor locations to guide experimental interrogations and controller feedback. Following this, initial results on developing a control-oriented reduced order model (ROM) will be presented. The capability of the ROM will be further assessed based on different operating conditions and geometric configurations.

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

    Directory of Open Access Journals (Sweden)

    Jorge Laine

    2009-12-01

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

  5. Hypersonic Air Flow with Finite Rate Chemistry

    National Research Council Canada - National Science Library

    Boyd, Ian

    1997-01-01

    ... describe the effects of non-equilibrium flow chemistry, shock interaction, and turbulent mixing and combustion on the performance of vehicles and air breathing engines designed to fly in the hypersonic flow...

  6. Tubular combustion

    CERN Document Server

    Ishizuka, Satoru

    2014-01-01

    Tubular combustors are cylindrical tubes where flame ignition and propagation occur in a spatially confined, highly controlled environment, in a nearly flat, elongated geometry. This allows for some unique advantages where extremely even heat dispersion is required over a large surface while still maintaining fuel efficiency. Tubular combustors also allow for easy flexibility in type of fuel source, allowing for quick changeover to meet various needs and changing fuel pricing. This new addition to the MP sustainable energy series will provide the most up-to-date research on tubular combustion--some of it only now coming out of private proprietary protection. Plentiful examples of current applications along with a good explanation of background theory will offer readers an invaluable guide on this promising energy technology. Highlights include: * An introduction to the theory of tubular flames * The "how to" of maintaining stability of tubular flames through continuous combustion * Examples of both small-scal...

  7. Advanced Combustion

    Energy Technology Data Exchange (ETDEWEB)

    Holcomb, Gordon R. [NETL

    2013-03-11

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

  8. Large-eddy simulation of swirling pulverized-coal combustion

    Energy Technology Data Exchange (ETDEWEB)

    Hu, L.Y.; Luo, Y.H. [Shanghai Jiaotong Univ. (China). School of Mechanical Engineering; Zhou, L.X.; Xu, C.S. [Tsinghua Univ., Beijing (China). Dept. of Engineering Mechanics

    2013-07-01

    A Eulerian-Lagrangian large-eddy simulation (LES) with a Smagorinsky-Lilly sub-grid scale stress model, presumed-PDF fast chemistry and EBU gas combustion models, particle devolatilization and particle combustion models are used to study the turbulence and flame structures of swirling pulverized-coal combustion. The LES statistical results are validated by the measurement results. The instantaneous LES results show that the coherent structures for pulverized coal combustion is stronger than that for swirling gas combustion. The particles are concentrated in the periphery of the coherent structures. The flame is located at the high vorticity and high particle concentration zone.

  9. Combustion instability modeling and analysis

    Energy Technology Data Exchange (ETDEWEB)

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

  10. Simulation of MILD combustion using Perfectly Stirred Reactor model

    KAUST Repository

    Chen, Z.; Vanteru, Mahendra Reddy; Ruan, S.; Doan, N. A K; Roberts, William L.; Swaminathan, N.

    2016-01-01

    A simple model based on a Perfectly Stirred Reactor (PSR) is proposed for moderate or intense low-oxygen dilution (MILD) combustion. The PSR calculation is performed covering the entire flammability range and the tabulated chemistry approach is used

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

    KAUST Repository

    Cai, Liming; Uygun, Yasar; Togbé , Casimir; Pitsch, Heinz G.; Olivier, Herbert; Dagaut, P.; Sarathy, Mani

    2015-01-01

    This study presents the first investigation on the combustion chemistry of n-octanol, a long chain alcohol. Ignition delay times were determined experimentally in a high-pressure shock tube, and stable species concentration profiles were obtained

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

    Energy Technology Data Exchange (ETDEWEB)

    Fouquet, Marcel Christian Thomas

    2012-03-15

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

  13. Collision data involving hydro-carbon molecules

    International Nuclear Information System (INIS)

    Tawara, H.; Itikawa, Y.; Nishimura, H.; Tanaka, H.; Nakamura, Y.

    1990-07-01

    Hydro-carbon molecules are abundantly produced when graphites are used as internal wall materials of hydrogen plasmas and strongly influence properties of low temperature plasmas near the edges as well as those of high temperature plasmas at the center. In this report, following simple description of the production mechanisms of hydro-carbon molecules under the interactions between graphite and hydrogen plasma, the present status of collision data for hydro-carbon molecules by electron impact is discussed and the relevant data are summarized in a series of figures and tables. It should also be noted that, in addition to fusion plasmas, these hydrocarbon data compiled here are quite useful in other applications such as plasma chemistry and material processing. (author)

  14. First principles modeling of hydrocarbons conversion in non-equilibrium plasma

    Energy Technology Data Exchange (ETDEWEB)

    Deminsky, M.A.; Strelkova, M.I.; Durov, S.G.; Jivotov, V.K.; Rusanov, V.D.; Potapkin, B.V. [Russian Research Centre Kurchatov Inst., Moscow (Russian Federation)

    2001-07-01

    Theoretical justification of catalytic activity of non-equilibrium plasma in hydrocarbons conversion process is presented in this paper. The detailed model of highest hydrocarbons conversion includes the gas-phase reactions, chemistry of the growth of polycyclic aromatic hydrocarbons (PAHs), precursor of soot particles formation, neutral, charged clusters and soot particle formation, ion-molecular gas-phase and heterogeneous chemistry. The results of theoretical analysis are compared with experimental results. (authors)

  15. Process for producing volatile hydrocarbons from hydrocarbonaceous solids

    Energy Technology Data Exchange (ETDEWEB)

    1949-02-03

    In a process for producing volatile hydrocarbons from hydrocarbonaceous solids, a hydrocarbonaceus solid is passed in subdivided state and in the form of a bed downwardly through an externally unheated distilling retort wherein the evolution of volatiles from the bed is effected while solid material comprising combustible heavy residue is discharged from the lower portion of the bed and retort, combustibles are burned from the discharged solid material. The admixture resultant combustion gases with the vapours evolved in the retort is prevented, and a stream of hydrocarbon fluid is heated by indirect heat exchange with hot combustion gases produced by burning to a high temperature and is introduced into the distilling retort and direct contact with bed, supplying heat to the latter for effecting the evolution of volatiles from the hydrocarbonaceous solid. The improvement consists of subjecting the volatile distillation products evolved and removed from the bed to a fractionation and separating selected relatively light and heavy hydrocarbon fractions from the distillation products, withdrawing at least one of the selected fractions from the prcess as a product heating at least one other of the selected fractions to high temperature by the indirect heat exchange with hot combustion gases, and introducing the thus heated hydrocarbon fraction into direct contact with the bed.

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

    Energy Technology Data Exchange (ETDEWEB)

    Coda Zabetta, Edgardo; Hupa, Mikko [Aabo Akademi Process Chemistry Centre, Piispankatu 8, FI-20500 Turku (Finland)

    2008-01-15

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

  17. On the high-temperature combustion of n-butanol: Shock tube data and an improved kinetic model

    KAUST Repository

    Vasu, Subith S.; Sarathy, Mani

    2013-01-01

    The combustion of n-butanol has received significant interest in recent years, because of its potential use in transportation applications. Researchers have extensively studied its combustion chemistry, using both experimental and theoretical

  18. Nanocarbons Made by Soft Chemistry

    Czech Academy of Sciences Publication Activity Database

    Kavan, Ladislav

    2002-01-01

    Roč. 386, - (2002), s. 167-172 ISSN 1058-725X R&D Projects: GA ČR GA203/99/1015 Institutional research plan: CEZ:AV0Z4040901 Keywords : carbon nanotubes * fullerenes * perfluorinated hydrocarbons Subject RIV: CF - Physical ; Theoretical Chemistry Impact factor: 0.457, year: 2002

  19. Plasma chemistry and organic synthesis

    Science.gov (United States)

    Tezuka, M.

    1980-01-01

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

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

    Energy Technology Data Exchange (ETDEWEB)

    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. CO2 capture by chemical looping combustion

    International Nuclear Information System (INIS)

    Forero, Carmen R; Adanez, Juan; Gayan, Pilar; Garcia L, Francisco; Abad, Alberto

    2010-01-01

    NiO and CuO based oxygen carriers (OCs) supported on Al 2 O 3 prepared by impregnation were selected for its evaluation in a continuous pilot plant of 500 Wth of two interconnected fluidized beds, where both methane and syngas were used as fuel gas. In addition, the effect of possible impurities in the fuel gas such as sulphur compounds and other hydrocarbons in the combustion efficiency of the process and the behaviour of the OCs were studied. Based on these results, it can be concluded that both OCs are suitable for a chemical looping combustion (CLC) process with methane, syngas and methane with impurities such as light hydrocarbons or sulphur.

  2. Research in radiation chemistry

    International Nuclear Information System (INIS)

    Silverman, J.

    1974-01-01

    In the survey the author discusses phenomena which are unique to radiation chemistry, as well as those in which radiation chemistry research plays a principal role. Works in this field such as spur phenomena and effects of scavengers in the radiolysis of water and liquid alkane, intraspur effects in styrene and polymerization of styrene at high dose rates are presented. The problem of the missing hydrogen atoms in irradiated alkanes needs answer and sensitization of crosslinking reactions may involve some unique aspects of radiation chemistry. Pairwise trapping of radicals in irradiated n-hydrocarbons have been observed in ESP-spectra. A well defined spectrum of radical pairs when the crystals of n-eicosane is irradiated and observed at 77 deg K. The nature of the spectrum, its changes with temperature and the effect of LET is discussed in the paper. (M.S.)

  3. Combustion tests with different pellet qualities

    International Nuclear Information System (INIS)

    Bachs, A.; Dahlstroem, J.E.; Persson, Henrik; Tullin, C.

    1999-05-01

    Eight different pellet qualities with the diameters 6, 8 and 10 mm, from eight different producers has been tested in three pellet burners and two pellet stoves. The objective was to investigate how different diameter affect the emissions of CO, OGC and NO x . Previous experience has indicated that the pellet diameter could have significant importance for the combustion. This was not verified in the study. It showed contradictory that the diameter has a minor effect on the combustion result. The study shows that different combustion equipment give different emission. For e g hydrocarbon emissions the difference is a factor 2.2 between the 'best' and the 'worst' equipment fired on full load. The difference increases to 2.7 with lower load. The choice of fuel has a big importance for the quality of the combustion. For hydrocarbons the emissions could in an extreme situation differ with a factor 25 between 'best' and 'worst' fuel. More normally the difference is about a factor of five. Nitrogen oxide emissions are to a major part related to the nitrogen contents in the fuel. The difference between the 'best' and 'worst' fuel is in the range of a factor two. Tests with the same fuel in different equipment gives a variation of 20-30%. The combustion result depends on both the pellet quality and the equipment and there is no fuel that is good in all equipment. The big variation in combustion results shows that there is a big indifference between fuels used for small scale heating Project report from the program: Small scale combustion of biofuels. 2 refs, 15 figs, 5 tabs

  4. High Combustion Research Facility

    Data.gov (United States)

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

  5. Combustion Research Laboratory

    Data.gov (United States)

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

  6. Technological aspects of the radiation chemistry

    International Nuclear Information System (INIS)

    Chmielewski, A.G.

    2006-01-01

    Main technological aspects of the radiation chemistry are reviewed: network formation in polymers and caoutchouc, production of the sterile hydrogels, sterilisation of the expendable medical equipment and the environmental protection technologies (e.g. purification of the combustion gases from the sulfur oxides). Achievements of the are reviewed Institute of Nuclear Chemistry and Technology, Warsaw (Poland) in these fields are presented

  7. Advanced Integrated Fuel/Combustion Systems

    Science.gov (United States)

    2004-01-01

    ineffective in the T63, even at concentrations up to 40 times the recommended value. Additive companies were informed about the performance of their...M. (1996): NASA RP- 1385. • Toepke, S. (1999): Boeing Company , Personal Correspondence. • Ulrich, G.D. (1971): Comb. Sci. Tech., Vol. 4, pp. 47-58...temperature (K) THC = total hydrocarbons UNICORN = UNsteady Ignition and COmbustion with ReactioNs V = reactor volume (mL) WSR = well-stirred reactor

  8. Bad chemistry

    OpenAIRE

    Petsko, Gregory A

    2004-01-01

    General chemistry courses haven't changed significantly in forty years. Because most basic chemistry students are premedical students, medical schools have enormous influence and could help us start all over again to create undergraduate chemistry education that works.

  9. Combustion instability modeling and analysis

    Energy Technology Data Exchange (ETDEWEB)

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

    1995-10-01

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

  10. Converting high boiling hydrocarbons

    Energy Technology Data Exchange (ETDEWEB)

    Terrisse, H; DuFour, L

    1929-02-12

    A process is given for converting high boiling hydrocarbons into low boiling hydrocarbons, characterized in that the high boiling hydrocarbons are heated to 200 to 500/sup 0/C in the presence of ferrous chloride and of such gases as hydrogen, water gas, and the like gases under a pressure of from 5 to 40 kilograms per square centimeter. The desulfurization of the hydrocarbons occurs simultaneously.

  11. Rotary combustion device

    NARCIS (Netherlands)

    2008-01-01

    Rotary combustion device (1) with rotary combustion chamber (4). Specific measures are taken to provide ignition of a combustible mixture. It is proposed that a hollow tube be provided coaxially with the axis of rotation (6), so that a small part of the mixture is guided into the combustion chamber.

  12. Hydro-carbon liquid for use in motors

    Energy Technology Data Exchange (ETDEWEB)

    Cobbett, G T.B.

    1907-03-15

    A process for the manufacture of liquid hydro-carbon mixtures suitable as a fuel for internal-combustion engines is disclosed, which consists in dissolving a suitable quantity of shale oil, which has been purified with sulfuric acid, in petroleum spirit, then purifying the solution with sulfuric acid and subsequently with oxalic acid or other suitable decolorizing agent.

  13. Fundamental spectroscopic studies of carbenes and hydrocarbon radicals

    Energy Technology Data Exchange (ETDEWEB)

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

    1993-12-01

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

  14. A thermodynamic analysis of the environmental indicators of natural gas combustion processes

    Science.gov (United States)

    Elsukov, V. K.

    2010-07-01

    Environmental indicators of the natural gas combustion process are studied using the model of extreme intermediate states developed at the Melent’ev Institute of Power Engineering Systems. Technological factors responsible for generation of polycyclic aromatic hydrocarbons and hydrogen cyanide are revealed. Measures for reducing the amounts of polycyclic aromatic hydrocarbons, hydrogen cyanide, nitrogen oxide, and other pollutants emitted from boilers are developed.

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

    Energy Technology Data Exchange (ETDEWEB)

    NONE

    1999-07-01

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

  16. Spectroscopy, Kinetics, and Dynamics of Combustion Radicals

    Energy Technology Data Exchange (ETDEWEB)

    Nesbitt, David J. [Research/Professor

    2013-08-06

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

  17. Progress on resonance ionization detection of combustion radicals

    International Nuclear Information System (INIS)

    Cool, T.A.

    1994-01-01

    Selective laser ionization techniques are used in our laboratory for the measurement of concentration profiles of radical intermediates in the combustion of chlorinated hydrocarbon flames. A new ultrasensitive detection technique, made possible with the advent of tunable VUV laser sources, enables the selective near-threshold photoionization of all radical intermediates in premixed hydrocarbon and chlorinated hydrocarbon flames. The progress made on the following three separate experiments during the past year is briefly described in this report. Flame Radical Concentration Measurements with VUV Spectroscopy; observation of hyperfine quantum beats in cyanogen; and the spectroscopy of the ClCO radical

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

    KAUST Repository

    Selim, Hatem

    2016-07-23

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

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

    Energy Technology Data Exchange (ETDEWEB)

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

    1992-07-01

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

  20. Modeling of combustion products composition of hydrogen-containing fuels

    International Nuclear Information System (INIS)

    Assad, M.S.

    2010-01-01

    Due to the usage of entropy maximum principal the algorithm and the program of chemical equilibrium calculation concerning hydrogen--containing fuels are devised. The program enables to estimate the composition of combustion products generated in the conditions similar to combustion conditions in heat engines. The program also enables to reveal the way hydrogen fraction in the conditional composition of the hydrocarbon-hydrogen-air mixture influences the harmful components content. It is proven that molecular hydrogen in the mixture is conductive to the decrease of CO, CO 2 and CH x concentration. NO outlet increases due to higher combustion temperature and N, O, OH concentrations in burnt gases. (authors)

  1. Organic chemistry on Titan

    Science.gov (United States)

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

    1979-01-01

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

  2. Complex chemistry

    International Nuclear Information System (INIS)

    Kim, Bong Gon; Kim, Jae Sang; Kim, Jin Eun; Lee, Boo Yeon

    2006-06-01

    This book introduces complex chemistry with ten chapters, which include development of complex chemistry on history coordination theory and Warner's coordination theory and new development of complex chemistry, nomenclature on complex with conception and define, chemical formula on coordination compound, symbol of stereochemistry, stereo structure and isomerism, electron structure and bond theory on complex, structure of complex like NMR and XAFS, balance and reaction on solution, an organo-metallic chemistry, biology inorganic chemistry, material chemistry of complex, design of complex and calculation chemistry.

  3. Mathematical Chemistry

    OpenAIRE

    Trinajstić, Nenad; Gutman, Ivan

    2002-01-01

    A brief description is given of the historical development of mathematics and chemistry. A path leading to the meeting of these two sciences is described. An attempt is made to define mathematical chemistry, and journals containing the term mathematical chemistry in their titles are noted. In conclusion, the statement is made that although chemistry is an experimental science aimed at preparing new compounds and materials, mathematics is very useful in chemistry, among other things, to produc...

  4. The electrostatic atomization of hydrocarbons

    Energy Technology Data Exchange (ETDEWEB)

    Kelly, A J

    1984-06-01

    Exploitation of the unique and potentially beneficial characteristics of electrostatic atomization in combustion systems has foundered upon the inability of two element, diode devices to operate at flow rates that are larger than a fraction of a millilitre per second. This restriction has been attributed to the high innate electrical resistivity of hydrocarbon fuels. A discussion of proposed electrostatic fuel atomizers and their limitations is presented from the vantage of a recently developed theory of electrostatic spraying. Comparison of theory and experiment reveals the existence of a 'constant of spraying' and the presence of an operational regime in which low charge density droplet development is possible. Operation with hydrocarbons in this regime occurs when the mean droplet size is greater than or equal to 10 ..mu..m and fluid viscosity is below about 250 cp. The resulting spray has a mean droplet size that is functionally dependent only upon the free charge density level of the fluid. Consequently there is no theoretical impediment to the attainment of high flow rate electrostatic atomization with fluids of arbitrary conductivity. Implementation is achieved by a general class of electrostatic spray devices which employ direct charge injection. The Spray Triode, a submerged field-emission electron gun, represents a particularly simple member of this new class of atomizer. Among the Spray Triode operational characteristics to be discussed is insensitivity to spray fluid properties and flow rate.

  5. Estimated contribution from wood combustion to air pollution in Hamar, Lillehammer and Gjoevik

    International Nuclear Information System (INIS)

    Schjoldager, J.

    1996-07-01

    The report analyses the level of air pollution from wood combustion in urban areas in Norway. From the analysis of potassium and soot in samples from January 1992, there were large uncertainties in the estimation of particle contributions from the combustion. Concentration estimates of formaldehyde from wood combustion were comparable to measurements, while estimated PAH (Polycyclic Aromatic Hydrocarbons) concentrations were lower than measurements. 18 refs., 1 fig., 6 tabs

  6. Combustion 2000

    Energy Technology Data Exchange (ETDEWEB)

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

    2001-06-30

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

  7. Polycyclic hydrocarbons - occurrence and determination

    International Nuclear Information System (INIS)

    Drzewicz, P.

    2007-01-01

    Polycyclic aromatic hydrocarbons (PAHs) are a special group of atmospheric contaminants included in the persistent toxic substances (PTS) and also in the volatile organic compounds (VOC) groups. PAHs are present in the atmosphere and their origin can be due to anthropogenic activities. The main source of emission of PAH is the combustion of fossil fuels. Their specific characteristics, high volatility, mutagenic and carcinogenic power, easily transportable for long distances with the wind, make them important contaminants despite of the fact that they are present at very low concentrations. The report provides a review of main analytical methods applied in the determination of PAH in air. Special attention was devoted to heterocyclic PAH which contain one or more heteroatom (sulphur, oxygen, nitrogen) in the multiple-fused ring. The presence of heterocyclic PAH requires very complex, laborious and long lasting sample separation methods before analysis. In some cases, application of different temperature programs in gas chromatography allows to determine PAH and heterocyclic PAH in gaseous samples without sample pretreatment. Gas chromatography methods for the determination of PAH and heterocyclic PAH in the gas from combustion of light heating oil has been optimized. (author) [pl

  8. Combustion optimization and HCCI modeling for ultra low emission

    Energy Technology Data Exchange (ETDEWEB)

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

    2011-07-01

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

  9. Emissions from small scale biomass combustion - Research needs

    International Nuclear Information System (INIS)

    Gustavsson, L.; Karlsson, M.L.; Larfeldt, J.; Leckner, B.

    1994-01-01

    Earlier investigations have shown that small scale biomass combustion leads to unacceptable emissions in the air. The most important problem is high levels of unburnt hydrocarbons. This report analyzes which are the most important reasons to these emissions and which research efforts that are necessary to increase the knowledge about the combustion processes, thereby promoting the development of environmentally feasible equipment. The following factors are defined as most crucial to emission levels: size of combustion chamber, air excess ratio, means of combustion air supply, mixing between air and fuel, transient events, and fuel quality. It is concluded that both basic and research within the area is needed. More specific, research in the form of systematic analysis of best available technology, reactor experiments, compilation of knowledge about relevant basic combustion processes, mathematical modelling as well as development of measurement techniques are called for. 15 refs, 11 figs, 1 tab

  10. Transformations of aromatic hydrocarbons over zeolites

    Czech Academy of Sciences Publication Activity Database

    Voláková, Martina; Žilková, Naděžda; Čejka, Jiří

    2008-01-01

    Roč. 34, 5-7 (2008), s. 439-454 ISSN 0922-6168 R&D Projects: GA ČR GA203/05/0197; GA AV ČR 1QS400400560; GA AV ČR KJB4040402 Institutional research plan: CEZ:AV0Z40400503 Keywords : aromatic hydrocarbons * zeolites * alkylation Subject RIV: CF - Physical ; Theoretical Chemistry Impact factor: 0.514, year: 2008

  11. Reduced NOX combustion method

    International Nuclear Information System (INIS)

    Delano, M.A.

    1991-01-01

    This patent describes a method for combusting fuel and oxidant to achieve reduced formation of nitrogen oxides. It comprises: It comprises: heating a combustion zone to a temperature at least equal to 1500 degrees F.; injecting into the heated combustion zone a stream of oxidant at a velocity within the range of from 200 to 1070 feet per second; injecting into the combustion zone, spaced from the oxidant stream, a fuel stream at a velocity such that the ratio of oxidant stream velocity to fuel stream velocity does not exceed 20; aspirating combustion gases into the oxidant stream and thereafter intermixing the aspirated oxidant stream and fuel stream to form a combustible mixture; combusting the combustible mixture to produce combustion gases for the aspiration; and maintaining the fuel stream substantially free from contact with oxidant prior to the intermixture with aspirated oxidant

  12. Characterization of hydrocarbon utilizing fungi from hydrocarbon ...

    African Journals Online (AJOL)

    Prof. Ogunji

    isolated fungi could be useful in the bioremediation of hydrocarbon polluted sites. Keywords: ... Technologies such as mechanical force, burying, evaporation, dispersant application, and ..... The effects of drilling fluids on marine bacteria from a.

  13. Presidential Green Chemistry Challenge: 2014 Small Business Award

    Science.gov (United States)

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

  14. Miniaturization limitations of rotary internal combustion engines

    International Nuclear Information System (INIS)

    Wang, Wei; Zuo, Zhengxing; Liu, Jinxiang

    2016-01-01

    Highlights: • Developed a phenomenological model for rotary internal combustion engines. • Presented scaling laws for the performance of micro rotary engines. • Adiabatic walls can improve the cycle efficiency but result in higher charge leakage. • A lower compression ratio can increase the efficiency due to lower mass losses. • Presented possible minimum engine size of rotary internal combustion engines. - Abstract: With the rapid development of micro electro-mechanical devices, the demands for micro power generation systems have significantly increased in recent years. Traditional chemical batteries have energy densities much lower than hydrocarbon fuels, which makes internal-combustion-engine an attractive technological alternative to batteries. Micro rotary internal combustion engine has drawn great attractions due to its planar design, which is well-suited for fabrication in MEMS. In this paper, a phenomenological model considering heat transfer and mass leakage has been developed to investigate effects of engine speed, compression ratio, blow-by and heat transfer on the performance of micro rotary engine, which provide the guidelines for preliminary design of rotary engine. The lower possible miniaturization limits of rotary combustion engines are proposed.

  15. Dioxins and polyvinylchloride in combustion and fires.

    Science.gov (United States)

    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. © The Author(s) 2015.

  16. Trace emissions from gaseous combustion

    Energy Technology Data Exchange (ETDEWEB)

    Seebold, J.G. [Chevron Research and Technology Co., Richmond, CA (United States)

    2000-07-01

    The U.S. Clean Air Act (CAA) was amended in 1990 to include the development of maximum achievable control technology (MACT) emission standards for hazardous air pollutants (HAPs) for certain stationary sources by November 2000. MACT emissions standards would affect process heaters and industrial boilers since combustion processes are a potential source for many air toxins. The author noted that one of the problems with MACT is the lack of a clear solid scientific footing which is needed to develop environmentally responsible regulations. In order to amend some of these deficiencies, a 4-year, $7 million research project on the origin and fate of trace emissions in the external combustion of gaseous hydrocarbons was undertaken in a collaborative effort between government, universities and industry. This collaborative project entitled the Petroleum Environmental Research Forum (PERF) Project 92-19 produced basic information and phenomenological understanding in two important areas, one basic and one applied. The specific objectives of the project were to measure emissions while operating different full-scale burners under various operating conditions and then to analyze the emission data to identify which operating conditions lead to low air toxic emissions. Another objective was to develop new chemical kinetic mechanisms and predictive models for the formation of air toxic species which would explain the origin and fate of these species in process heaters and industrial boilers. It was determined that a flame is a very effective reactor and that trace emissions from a typical gas-fired industry burner are very small. An unexpected finding was that trace emissions are not affected by hydrocarbon gaseous fuel composition, nor by the use of ultra low nitrous oxide burners. 2 refs., 8 figs.

  17. Production of hydrocarbons

    Energy Technology Data Exchange (ETDEWEB)

    Day, D T; Day, R E

    1920-04-27

    A process is disclosed of converting hydro-carbon oils having high boiling points to hydro-carbon oils having low boiling points, which process comprises adding the oil to be treated to a mass of hydro-carbon oil bearing shale, passing the shale with the oil through a conveyor retort and subjecting the material while in the retort to a heat treatment involving a temperature of at least 500/sup 0/F.

  18. Chemistry Notes

    Science.gov (United States)

    School Science Review, 1976

    1976-01-01

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

  19. Chemistry Dashboard

    Science.gov (United States)

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

  20. Combustion Research Facility

    Data.gov (United States)

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

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

    Energy Technology Data Exchange (ETDEWEB)

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

    2017-05-05

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

  2. Combinatorial chemistry

    DEFF Research Database (Denmark)

    Nielsen, John

    1994-01-01

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

  3. Aquatic Chemistry

    International Nuclear Information System (INIS)

    Kim, Dong Yeun; Kim, Oh Sik; Kim, Chang Guk; Park, Cheong Gil; Lee, Gwi Hyeon; Lee, Cheol Hui

    1987-07-01

    This book deals aquatic chemistry, which treats water and environment, chemical kinetics, chemical balance like dynamical characteristic, and thermodynamics, acid-base chemistry such as summary, definition, kinetics, and PH design for mixture of acid-base chemistry, complex chemistry with definition, and kinetics, precipitation and dissolution on summary, kinetics of precipitation and dissolution, and balance design oxidation and resolution with summary, balance of oxidation and resolution.

  4. Positronium chemistry

    CERN Document Server

    Green, James

    1964-01-01

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

  5. Maximal combustion temperature estimation

    International Nuclear Information System (INIS)

    Golodova, E; Shchepakina, E

    2006-01-01

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

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

    International Nuclear Information System (INIS)

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

    1995-01-01

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

  7. Microbial degradation of polycyclic aromatic hydrocarbons

    International Nuclear Information System (INIS)

    Volkering, F.; Breure, A.M.; Andel, J.G. van

    1992-01-01

    Polycyclic aromatic hydrocarbons (PAH) are hazardous compounds originating from oil, tar, creosote, or from incomplete combustion of fossil fuels. Application of biotechnological techniques for remediation of polluted soils from PAH demonstrated that the high molecular compounds are degraded very slowly, and that the residual concentration of PAH often is too high to permit application of the treated soil. Investigations were started to establish process parameters for optimal biodegradation of PAH. The aim is to achieve a relation between the physical properties of PAH and the biodegradation kinetics in different matrices, in order to identify applicability of biotechnological cleanup methods for waste streams and polluted soil. (orig.) [de

  8. Experimental validation of large-eddy simulation for swirling methane-air non-premixed combustion

    Energy Technology Data Exchange (ETDEWEB)

    Hu, L.Y.; Luo, Y.H.; Xu, C.S. [Shanghai Jiaotong Univ. (China). School of Mechanical Engineering; Zhou, L.X. [Tsinghua Univ., Beijing (China). Dept. of Engineering Mechanics

    2013-07-01

    Large-eddy simulation of swirling methane-air non-premixed combustion was carried out using a Smagorinsky-Lilly subgrid scale stress model and a presumed-PDF fast-chemistry combustion model. The LES statistical results are validated by PIV, temperature and species concentration measurements made by the present authors. The results indicate that in the present case the presumed-PDF fast-chemistry combustion model is a fairish one. The instantaneous vorticity and temperature maps show clearly the development and the interaction between coherent structures and combustion.

  9. Hydrogen or Soot?: Partial Oxidation of High-boiling Hydrocarbon Wastes

    Czech Academy of Sciences Publication Activity Database

    Lederer, J.; Hanika, Jiří; Nečesaný, F.; Poslední, W.; Tukač, V.; Veselý, Václav

    2015-01-01

    Roč. 29, č. 1 (2015), s. 5-11 ISSN 0352-9568 Institutional support: RVO:67985858 Keywords : partial oxidation * waste * hydrocarbon Subject RIV: CI - Industrial Chemistry, Chemical Engineering Impact factor: 0.675, year: 2015

  10. Combustion's impact on the global atmosphere

    International Nuclear Information System (INIS)

    Prather, M.J.; Logan, J.A.

    1994-01-01

    The combustion of a hydrocarbon fuel removes molecular oxygen (O 2 ) from the atmosphere and releases equivalent amounts of water (H 2 ) and carbon dioxide (CO 2 ), almost always with trace amounts of numerous other compounds including hydrocarbon (CH 4 , C 2 H 2 , C 2 H 4 , C 2 H 6 , C 3 H 8 , C 6 H 6 , CH 3 CHO, etc.), carbon monoxide (CO), nitrogen oxides (NO, N 2 O) and reduced nitrogen (NH 3 and HCN), sulfur gases (SO 2 , OCS, CS 2 ), halocarbons (CH 3 Al and CH 3 Br), and particles. A review of the atmospheric budgets of these gases shows that burning of fossil fuels and recent biomass has led to global alterations in the composition of the atmosphere. Combustion is clearly responsible for most of the enhanced greenhouse forcing to date (through CO 2 , tropospheric O 3 , soot) and also some counteracting effects (through SO 2 ). It has had minimal impact on stratospheric O 3 (through CH 3 Cl, CH 3 Br, CH 4 ), but has likely changed the tropospheric oxidant levels (through CO, NO x , NMHC), at least over the northern hemisphere. Most of the important greenhouse gases and tropospheric oxidant gases have significant natural sources, which are not well defined today and may be changing; and thus, quantifying the role of combustion is difficult. 113 refs

  11. Laboratory Studies of Hydrocarbon Oxidation Mechanisms

    Science.gov (United States)

    Orlando, J. J.; Tyndall, G. S.; Wallington, T. J.; Burkholder, J. B.; Bertman, S. B.; Chen, W.

    2001-12-01

    The oxidation of hydrocarbon species (alkanes, alkenes, halogenated species, and oxygenates of both natural and anthropogenic origin) in the troposphere leads to the generation of numerous potentially harmful secondary pollutants, such as ozone, organic nitrates and acids, and aerosols. These oxidations proceed via the formation of alkoxy radicals, whose complex chemistry controls the ultimate product distributions obtained. Studies of hydrocarbon oxidation mechanisms are ongoing at NCAR and Ford, using environmental chamber / FTIR absorption systems. The focus of these studies is often on the product distributions obtained at low temperature; these studies not only provide data of direct relevance to the free/upper troposphere, but also allow for a more fundamental understanding of the alkoxy radical chemistry (eg., from the determination of the Arrhenius parameters for unimolecular processes, and the quantification of the extent of the involvement of chemical activation in the alkoxy radical chemistry). In this paper, data will be presented on some or all of the following topics: kinetics/mechanisms for the reactions of OH with the unsaturated species MPAN, acrolein, and crotonaldehyde; the mechanism for the oxidation of ethyl chloride and ethyl bromide; and the mechanism for the reaction of OH with acetone and acetaldehyde at low temperature. The relevance of the data to various aspects of tropospheric chemistry will be discussed.

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

    Energy Technology Data Exchange (ETDEWEB)

    Lartigue, G.

    2004-11-15

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

  13. The reduction of air pollution by improved combustion

    Energy Technology Data Exchange (ETDEWEB)

    Churchill, S.W. [Pennsylvania Univ., Chemical Engineering Dept., Philadelphia, PA (United States)

    1997-12-31

    The contributions of combustion to air pollution and possible remedies are discussed. Control and reduction of air pollution from combustion is more feasible than from other sources because of its discrete localization. The gaseous products of combustion inevitably include H{sub 2}O and CO{sub 2}, NO and/or NO{sub 2} and may include N{sub 2}O, SO{sub 2}, SO{sub 3} and unburned and partially burned hydrocarbons. Soot, ash and other dispersed solids may also be present, but are not considered herein. Unburned and partially burned hydrocarbons are prima facie evidence of poor mechanics of combustion and should not be tolerated. On the other hand, NO{sub x}, SO{sub 2} and SO{sub 3} are unavoidable if the fuel contains nitrogen and sulfur. The best remedy in this latter case is to remove these species from the fuel. Otherwise their products of combustion must be removed by absorption, adsorption or reaction. NO{sub x} from the fixation of N{sub 2} in the air and CO may be minimized by advanced techniques of combustion. One such method is described in some detail. If CO{sub 2} must be removed this can be accomplished by absorption, adsorption or reaction, but precooling is necessary and the quantity is an order of magnitude greater than that of any of the other pollutants. (Author)

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

    Directory of Open Access Journals (Sweden)

    Hamdi Mohamed

    2009-01-01

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

  15. Plasma devices for hydrocarbon reformation

    KAUST Repository

    Cha, Min

    2017-01-01

    Plasma devices for hydrocarbon reformation are provided. Methods of using the devices for hydrocarbon reformation are also provided. The devices can include a liquid container to receive a hydrocarbon source, and a plasma torch configured

  16. Uncertainties in hydrogen combustion

    International Nuclear Information System (INIS)

    Stamps, D.W.; Wong, C.C.; Nelson, L.S.

    1988-01-01

    Three important areas of hydrogen combustion with uncertainties are identified: high-temperature combustion, flame acceleration and deflagration-to-detonation transition, and aerosol resuspension during hydrogen combustion. The uncertainties associated with high-temperature combustion may affect at least three different accident scenarios: the in-cavity oxidation of combustible gases produced by core-concrete interactions, the direct containment heating hydrogen problem, and the possibility of local detonations. How these uncertainties may affect the sequence of various accident scenarios is discussed and recommendations are made to reduce these uncertainties. 40 references

  17. Combustion of diesel fuel from a toxicological perspective. I. Origin of incomplete combustion products.

    Science.gov (United States)

    Scheepers, P T; Bos, R P

    1992-01-01

    Since the use of diesel engines is still increasing, the contribution of their incomplete combustion products to air pollution is becoming ever more important. The presence of irritating and genotoxic substances in both the gas phase and the particulate phase constituents is considered to have significant health implications. The quantity of soot particles and the particle-associated organics emitted from the tail pipe of a diesel-powered vehicle depend primarily on the engine type and combustion conditions but also on fuel properties. The quantity of soot particles in the emissions is determined by the balance between the rate of formation and subsequent oxidation. Organics are absorbed onto carbon cores in the cylinder, in the exhaust system, in the atmosphere and even on the filter during sample collection. Diesel fuel contains polycyclic aromatic hydrocarbons (PAHs) and some alkyl derivatives. Both groups of compounds may survive the combustion process. PAHs are formed by the combustion of crankcase oil or may be resuspended from engine and/or exhaust deposits. The conversion of parent PAHs to oxygenated and nitrated PAHs in the combustion chamber or in the exhaust system is related to the vast amount of excess combustion air that is supplied to the engine and the high combustion temperature. Whether the occurrence of these derivatives is characteristic for the composition of diesel engine exhaust remains to be ascertained. After the emission of the particles, their properties may change because of atmospheric processes such as aging and resuspension. The particle-associated organics may also be subject to (photo)chemical conversions or the components may change during sampling and analysis. Measurement of emissions of incomplete combustion products as determined on a chassis dynamometer provides knowledge of the chemical composition of the particle-associated organics. This knowledge is useful as a basis for a toxicological evaluation of the health hazards of

  18. Plasma devices for hydrocarbon reformation

    KAUST Repository

    Cha, Min Suk

    2017-02-16

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

  19. Flame kernel generation and propagation in turbulent partially premixed hydrocarbon jet

    KAUST Repository

    Mansour, Mohy S.; Elbaz, Ayman M.; Zayed, M. F.

    2014-01-01

    Flame development, propagation, stability, combustion efficiency, pollution formation, and overall system efficiency are affected by the early stage of flame generation defined as flame kernel. Studying the effects of turbulence and chemistry

  20. New class of combustion processes

    International Nuclear Information System (INIS)

    Merzhanov, A.G.; Borovinskaya, I.P.

    1975-01-01

    A short review is given of the results of work carried out since 1967 on studying the combustion processes caused by the interaction of chemical elements in the condensed phase and leading to the formation of refractory compounds. New phenomena and processes are described which are revealed when investigating the combustion of the systems of this class, viz solid-phase combustion, fast combustion in the condensed phase, filtering combustion, combustion in liquid nitrogen, spinning combustion, self-oscillating combustion, and repeated combustion. A new direction in employment of combustion processes is discussed, viz. a self-propagating high-temperature synthesis of refractory nitrides, carbides, borides, silicides and other compounds

  1. Experiments and simulations of NOx formation in the combustion of hydroxylated fuels

    KAUST Repository

    Bohon, Myles

    2015-06-01

    This work investigates the influence of molecular structure in hydroxylated fuels (i.e. fuels with one or more hydroxyl groups), such as alcohols and polyols, on NOx formation. The fuels studied are three lower alcohols (methanol, ethanol, and n-propanol), two diols (1,2-ethanediol and 1,2-propanediol), and one triol (1,2,3-propanetriol); all of which are liquids at room temperature and span a wide range of thermophysical properties. Experimental stack emissions measurements of NO/NO2, CO, and CO2 and flame temperature profiles utilizing a rake of thermocouples were obtained in globally lean, swirling, liquid atomized spray flames inside a refractory-lined combustion chamber as a function of the atomizing air flow rate and swirl number. These experiments show significantly lower NOx formation with increasing fuel oxygen content despite similarities in the flame temperature profiles. By controlling the temperature profiles, the contribution to NOx formation through the thermal mechanism were matched, and variations in the contribution through non-thermal NOx formation pathways are observed. Simulations in a perfectly stirred reactor, at conditions representative of those measured within the combustion region, were conducted as a function of temperature and equivalence ratio. The simulations employed a detailed high temperature chemical kinetic model for NOx formation from hydroxylated fuels developed based on recent alcohol combustion models and extended to include polyol combustion chemistry. These simulations provide a qualitative comparison to the range of temperatures and equivalence ratios observed in complex swirling flows and provide insight into the influence of variations in the fuel decomposition pathways on NOx formation. It is observed that increasing the fuel bound oxygen concentration ultimately reduces the formation of NOx by increasing the proportion of fuel oxidized through formaldehyde, as opposed to acetylene or acetaldehyde. The subsequent

  2. Self-Organizing Maps for Fast LES Combustion Modeling, Phase I

    Data.gov (United States)

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

  3. Investigation of the ignition of liquid hydrocarbon fuels with nanoadditives

    Science.gov (United States)

    Bakulin, V. N.; Velikodnyi, V. Yu.; Levin, Yu. K.; Popov, V. V.

    2017-12-01

    During our experimental studies we showed a high efficiency of the influence of nanoparticle additives on the stability of the ignition of hydrocarbon fuels and the stabilization of their combustion in a highfrequency high-voltage discharge. We detected the effects of a jet deceleration, an increase in the volume of the combustible mixture, and a reduction in the inflammation delay time. These effects have been estimated quantitatively by digitally processing the video frames of the ignition of a bubbled kerosene jet with 0.5% graphene nanoparticle additives and without these additives. This effect has been explained by the influence of electrodynamic processes.

  4. The environmental assessment of the wood combustion

    International Nuclear Information System (INIS)

    Dinca, Cristian; Badea, Adrian; Apostol, Tiberiu

    2007-01-01

    In this paper, the authors analysed the emissions from residential boilers burning wood logs, bark pellets, wood briquettes and wood pellets. Three boilers, selected with respect to age, design, connection to heat storage tank, and type of biofuel, were included in the study. The emissions captured comprised carbon monoxide (CO), carbon dioxide (CO 2 ), oxygen (O 2 ), total organic carbons (TOC), nitrogen oxides (NO x ), polycyclic aromatic hydrocarbons (PAC) and 33 volatile organic compounds (VOC). We have used the Life Cycle Inventory method in order to identify the main stressors generated by the wood combustion stage. In this purpose, we have analysed one type of old boiler, one type of modern boiler and a multi-fuel boiler, which can burn wood logs, bark pellets, wood briquettes and wood pellets. In this article, we selected only the wood combustion stage because it is the most important according to the emissions produced. (authors)

  5. Hydrocarbon-Fuel/Combustion-Chamber-Liner Materials Compatibility

    Science.gov (United States)

    1991-04-01

    Grains, Leaving a Rough, Highly Pitted Surface 13 V (a) (b) ALA " I~ 4~ (0) (d) Figure 7. Cooling Channel Surface Features Resulting From the Overall...Canada or Terrell County, Texas as compared to natural gas from Rio Arriba County, New Mexico. Thus, the viability of using field gas feedstock...possible source of higher volumes in the more distant future. TABLE.14 COMPOSITION OF VARIOUS NATURAL GAS FIELDS Rio Olds Cliffside Arriba Terrel

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

    Energy Technology Data Exchange (ETDEWEB)

    Sujit Banerjee

    2005-10-31

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

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

    CERN Document Server

    Modest, Michael F

    2016-01-01

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

  8. Studies of combustion kinetics and mechanisms

    Energy Technology Data Exchange (ETDEWEB)

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

    1993-12-01

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

  9. Boiler using combustible fluid

    Science.gov (United States)

    Baumgartner, H.; Meier, J.G.

    1974-07-03

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

  10. Turbulent Combustion Modeling Advances, New Trends and Perspectives

    CERN Document Server

    Echekki, Tarek

    2011-01-01

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

  11. Organic chemistry

    International Nuclear Information System (INIS)

    2003-08-01

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

  12. Radiation chemistry

    Energy Technology Data Exchange (ETDEWEB)

    None

    1973-07-01

    Research progress is reported on radiation chemistry of heavy elements that includes the following topics: radiation chemistry of plutonium in nitric acid solutions (spectrophotometric analysis and gamma radiolysis of Pu(IV) and Pu(VI) in nitric acid solution); EPR studies of intermediates formed in radiolytic reactions with aqueous medium; two-phase radiolysis and its effect on the distribution coefficient of plutonium; and radiation chemistry of nitric acid. (DHM)

  13. Combustion characteristics of the mustard methyl esters

    International Nuclear Information System (INIS)

    Bannikov, M.G.; Vasilev, I.P.

    2011-01-01

    Mustard Methyl Esters (further bio diesel) and regular diesel fuel were tested in direct injection diesel engine. Analysis of experimental data was supported by an analysis of fuel injection and combustion characteristics. Engine fuelled with bio diesel had increased brake specific fuel consumption, reduced nitrogen oxides emission and smoke opacity, moderate increase in carbon monoxide emission with essentially unchanged unburned hydrocarbons emission. Increase in fuel consumption was attributed to lesser heating value of bio diesel and partially to decreased fuel conversion efficiency. Analysis of combustion characteristics revealed earlier start of injection and shorter ignition delay period of bio diesel. Resulting decrease in maximum rate of heat release and cylinder pressure was the most probable reason for reduced emission of nitrogen oxides. Analysis of combustion characteristics also showed that cetane index determined by ASTM Method D976 is not a proper measure of ignition quality of bio diesel. Conclusion was made on applicability of mustard oil as a source for commercial production of bio diesel in Pakistan. Potentialities of on improving combustion and emissions characteristics of diesel engine by reformulating bio diesel were discussed. (author)

  14. Technetium chemistry

    International Nuclear Information System (INIS)

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

    1996-01-01

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

  15. Chemistry Technology

    Data.gov (United States)

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

  16. Misconceptions of Concepts in Chemistry among Senior Secondary ...

    African Journals Online (AJOL)

    This study examined the misconceptions by chemistry teachers of senior secondary three (SSIII) in Cross River State, Nigeria. Concepts investigated were hydrocarbons, alkanols, alkanoic acids, pollution, classification and nomenclature of carbon compounds, natural products, chemistry in industry, extraction of metals, fats ...

  17. LIEKKI 2 - Combustion technology is environmental technology

    Energy Technology Data Exchange (ETDEWEB)

    Hupa, M. [Aabo Akademi, Turku (Finland)

    1996-12-31

    Finland has wide experience in applications of various combustion technologies and fuels and in supplying energy to industry and municipalities. Furthermore, combustion hardware and equipment are amongst our most important export products. Above all, fluidized bed boilers, recovery boilers for pulp mills and heavy diesel engines and diesel power plants have achieved excellent success in the world markets. Exports of these products alone have amounted to several billions of Finnish marks of annual sales in recent years. Within modern combustion technology, the objective is to control flue gas emissions as far as possible in the process itself, thus doing away with the need for the separate scrubbing of flue gases. To accomplish this it has been necessary to conduct a large amount of research on the details of the chemistry of combustion emissions and the flows in furnaces and engine cylinders. A host of completely new products are being developed for the combustion technology field. The LIEKKI programme has been particularly interested in so-called combined-cycle processes based on pressurized fluidized bed technology

  18. The effect of insulated combustion chamber surfaces on direct-injected diesel engine performance, emissions, and combustion

    Science.gov (United States)

    Dickey, Daniel W.; Vinyard, Shannon; Keribar, Rifat

    1988-01-01

    The combustion chamber of a single-cylinder, direct-injected diesel engine was insulated with ceramic coatings to determine the effect of low heat rejection (LHR) operation on engine performance, emissions, and combustion. In comparison to the baseline cooled engine, the LHR engine had lower thermal efficiency, with higher smoke, particulate, and full load carbon monoxide emissions. The unburned hydrocarbon emissions were reduced across the load range. The nitrous oxide emissions increased at some part-load conditions and were reduced slightly at full loads. The poor LHR engine performance was attributed to degraded combustion characterized by less premixed burning, lower heat release rates, and longer combustion duration compared to the baseline cooled engine.

  19. Lump wood combustion process

    Science.gov (United States)

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

    2014-08-01

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

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

    Science.gov (United States)

    Octaviani, Mega; Tost, Holger; Lammel, Gerhard

    2017-04-01

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

  1. Influences of the molecular fuel structure on combustion reactions towards soot precursors in selected alkane and alkene flames.

    Science.gov (United States)

    Ruwe, Lena; Moshammer, Kai; Hansen, Nils; Kohse-Höinghaus, Katharina

    2018-04-25

    In this study, we experimentally investigate the high-temperature oxidation kinetics of n-pentane, 1-pentene and 2-methyl-2-butene (2M2B) in a combustion environment using flame-sampling molecular beam mass spectrometry. The selected C5 fuels are prototypes for linear and branched, saturated and unsaturated fuel components, featuring different C-C and C-H bond structures. It is shown that the formation tendency of species, such as polycyclic aromatic hydrocarbons (PAHs), yielded through mass growth reactions increases drastically in the sequence n-pentane fuel-dependent reaction sequences of the gas-phase combustion mechanism that provide explanations for the observed difference in the PAH formation tendency. First, we investigate the fuel-structure-dependent formation of small hydrocarbon species that are yielded as intermediate species during the fuel decomposition, because these species are at the origin of the subsequent mass growth reaction pathways. Second, we review typical PAH formation reactions inspecting repetitive growth sequences in dependence of the molecular fuel structure. Third, we discuss how differences in the intermediate species pool influence the formation reactions of key aromatic ring species that are important for the PAH growth process underlying soot formation. As a main result it was found that for the fuels featuring a C[double bond, length as m-dash]C double bond, the chemistry of their allylic fuel radicals and their decomposition products strongly influences the combination reactions to the initially formed aromatic ring species and as a consequence, the PAH formation tendency.

  2. Source determination of polynuclear aromatic hydrocarbons in water ...

    African Journals Online (AJOL)

    SERVER

    2008-02-05

    Feb 5, 2008 ... Department of Chemistry, Delta State University, Abraka, Delta State, Nigeria. Phone: +234 ... tous in nature as evidenced by their detection in sedi- ments, soils, air ... sions of non-combustion derived matter including inad- vertent oil ... composition of the 2, 3 - ring, low molecular weight PAHs in water of ...

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

    DEFF Research Database (Denmark)

    van Zweden, Jelle Stijn; D'Ettorre, Patrizia

    2010-01-01

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

  4. Thraustochytrid protists degrade hydrocarbons

    Digital Repository Service at National Institute of Oceanography (India)

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

    isolation tubes with crude oil. Three isolates tested showed positive hydrophobicity of cell walls as judged by the Microbial Adhesion to Hydrocarbons (MATH) assay. Addition of Bombay High crude oil to nutrient broth slightly enhanced growth of the protists...

  5. Flameless Combustion Workshop

    National Research Council Canada - National Science Library

    Gutmark, Ephraim

    2005-01-01

    .... "Flameless Combustion" is characterized by high stability levels with virtually no thermoacoustic instabilities, very low lean stability limits and therefore extremely low NOx production, efficient...

  6. Research Combustion Laboratory (RCL)

    Data.gov (United States)

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

  7. Combustion Byproducts Recycling Consortium

    Energy Technology Data Exchange (ETDEWEB)

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

    2008-08-31

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

  8. Current organic chemistry

    National Research Council Canada - National Science Library

    1997-01-01

    Provides in depth reviews on current progress in the fields of asymmetric synthesis, organometallic chemistry, bioorganic chemistry, heterocyclic chemistry, natural product chemistry, and analytical...

  9. Ignition behavior of aviation fuels and some hydrocarbons

    Energy Technology Data Exchange (ETDEWEB)

    Koerber, F.

    1975-01-01

    Air relighting of jet engines is an important contribution to the operation safety of aircraft engines. Reignition is influenced by fuel properties in addition to the engine design. A survey is presented on the problems, considering the specific fuel properties. Investigations were made on the ignition behavior of aviation fuels and hydrocarbons in a simplified model combustion chamber. Air inlet conditions were 200 to 800 mbar and 300 to 500 K. Correlation between physical and chemical properties and ignitability is discussed.

  10. Apparatus for utilizing liquid hydrocarbons such as shale oil, etc

    Energy Technology Data Exchange (ETDEWEB)

    Dorset, M

    1868-02-29

    The hydrocarbon liquids such as petroleum, shale oil, naphtha, cresol, coal tar, or other mineral, animal or vegetable oil are placed in a heater or special generator analogous to ordinary generators for vapors and to which the name vaporizer has been given in the description. This vaporizer is furnished with all kinds of safety devices, such as valves, manometer, float indicating the level, standard stopcock, etc., and is heated by the combustion of the vapors produced by it.

  11. Purifying hydrocarbon oils

    Energy Technology Data Exchange (ETDEWEB)

    Rostin, H

    1938-08-11

    A process is described for continuously purifying hydrocarbon oils consisting in conducting the vapors of the same at a temperature of 300 to 400/sup 0/C over the oelitic ore minette together with reducing gases in presence of steam the proportion of the reducing gases and steam being such that the sulfur of the hydrocarbons escapes from the reaction chamber in the form of sulfuretted hydrogen without permanent sulfide of iron being formed.

  12. Process for refining hydrocarbons

    Energy Technology Data Exchange (ETDEWEB)

    Risenfeld, E H

    1924-11-26

    A process is disclosed for the refining of hydrocarbons or other mixtures through treatment in vapor form with metal catalysts, characterized by such metals being used as catalysts, which are obtained by reduction of the oxide of minerals containing the iron group, and by the vapors of the hydrocarbons, in the presence of the water vapor, being led over these catalysts at temperatures from 200 to 300/sup 0/C.

  13. Combustion Stratification for Naphtha from CI Combustion to PPC

    KAUST Repository

    Vallinayagam, R.; Vedharaj, S.; An, Yanzhao; Dawood, Alaaeldin; Izadi Najafabadi, Mohammad; Somers, Bart; Johansson, Bengt

    2017-01-01

    This study demonstrates the combustion stratification from conventional compression ignition (CI) combustion to partially premixed combustion (PPC). Experiments are performed in an optical CI engine at a speed of 1200 rpm for diesel and naphtha (RON

  14. Combustion of poultry litter in a fluidised bed combustor

    Energy Technology Data Exchange (ETDEWEB)

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

    2003-04-01

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

  15. Nuclear chemistry

    International Nuclear Information System (INIS)

    Vertes, A.; Kiss, I.

    1987-01-01

    This book is an introduction to the application of nuclear science in modern chemistry. The first group of chapters discuss the basic phenomena and concepts of nuclear physics with emphasis on their relation to chemical problems, including the main properties and the composition of atomic nuclei, nuclear reactions, radioactive decay and interactions of radiation with matter. These chapters provide the basis for understanding the following chapters which encompass the wide scope of nuclear chemistry. The methods of the investigation of chemical structure based on the interaction of nuclear radiation with matter including positronium chemistry and other exotic atoms is elaborated in particular detail. Separate chapters are devoted to the use of radioactive tracers, the chemical consequences of nuclear processes (i.e. hot atom chemistry), radiation chemistry, isotope effects and their applications, and the operation of nuclear reactors

  16. Nuclear chemistry

    International Nuclear Information System (INIS)

    Vertes, A.; Kiss, I.

    1987-01-01

    This book is an introduction to the application of nuclear science in modern chemistry. The first group of chapters discuss the basic phenomena and concepts of nuclear physics with emphasis on their relation to chemical problems, including the main properties and the composition of atomic nuclei, nuclear reactions, radioactive decay and interactions of radiation with matter. These chapters provide the basis for understanding the following chapters which encompass the wide scope of nuclear chemistry. The methods of the investigation of chemical structure based on the interaction of nuclear radiation with matter including positronium chemistry and other exotic atoms is elaborated in particular detail. Separate chapters are devoted to the use of radioactive tracers, the chemical consequences of nuclear processes (i.e. hot atom chemistry), radiation chemistry, isotope effects and their applications, and the operation of nuclear reactors. (Auth.)

  17. Laboratory weathering of combusted oil shale

    International Nuclear Information System (INIS)

    Essington, M.E.

    1991-01-01

    The objective of this study was to examine the mineralogy and leachate chemistry of three combusted oil shales (two Green River Formation and one New Albany) in a laboratory weathering environment using the humidity cell technique. The mineralogy of the combusted western oil shales (Green River Formation) is process dependent. In general, processing resulted in the formation of anhydrite, lime, periclase, and hematite. During the initial stages of weathering, lime, periclase, and hematite. During the initial stages of weathering, lime, periclase, and anhydrite dissolve and ettringite precipitates. The initial leachates are highly alkaline, saline, and dominated by Na, hydroxide, and SO 4 . As weathering continues, ettringite precipitates. The initial leachates are highly alkaline, saline, and dominated by Na, hydroxide, and SO 4 . As weathering continues, ettringite dissolves, gypsum and calcite precipitate, and the leachates are dominated by Mg, SO 4 , and CO 3 . Leachate pH is rapidly reduced to between 8.5 and 9 with leaching. The combusted eastern oil shale (New Albany) is composed of quartz, illite, hematite, and orthoclase. Weathering results in the precipitation of gypsum. The combusted eastern oil shale did not display a potential to produce acid drainage. Leachate chemistry was dominated by Ca and SO 4 . Element concentrations continually decreased with weathering. IN a western disposal environment receiving minimal atmospheric precipitation, spent oil shale will remain in the initial stages of weathering, and highly alkaline and saline conditions will dominate leachate chemistry. In an eastern disposal environment, soluble salts will be rapidly removed from the spent oil shale to potentially affect the surrounding environment

  18. Pollutants generated by the combustion of solid biomass fuels

    CERN Document Server

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

    2014-01-01

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

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

    NARCIS (Netherlands)

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

    2015-01-01

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

  20. Towards control-oriented modeling of natural gas-diesel RCCI combustion

    NARCIS (Netherlands)

    Bekdemir, C.; Baert, R.S.G.; Willems, F.P.T.; Somers, L.M.T.

    2015-01-01

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

  1. Particle Emissions from Biomass Combustion

    Energy Technology Data Exchange (ETDEWEB)

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

    2003-05-01

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

  2. HYDROCARBON FORMATION ON POLYMER-SUPPORTED COBALT

    Energy Technology Data Exchange (ETDEWEB)

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

    1980-10-01

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

  3. Study of PAH emission from the solid fuels combustion in residential furnaces

    International Nuclear Information System (INIS)

    Kakareka, Sergey V.; Kukharchyk, Tamara I.; Khomich, Valery S.

    2005-01-01

    The procedure for and results of a test study of polycyclic aromatic hydrocarbon (PAH) emission from a few types of solid fuels combustion in residential furnaces of various designs typical for Belarus are discussed. Greatest levels of PAH emission were detected from domestic wastes and wood waste combustion. Lowest levels of PAH emission are from peat briquette combustion. It was found that PAH concentration in off-gases from firewood combustion also varies significantly depending on the type of wood: the highest values of PAH are typical for waste gases from birch firewood combustion in comparison with pine firewood combustion. Draft PAH emission factors are proposed with intended application for emission inventory of such installations

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

    Energy Technology Data Exchange (ETDEWEB)

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

    2002-07-01

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

  5. Strobes: An oscillatory combustion

    NARCIS (Netherlands)

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

    2012-01-01

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

  6. Fifteenth combustion research conference

    International Nuclear Information System (INIS)

    1993-01-01

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

  7. Role of soot in the transport of chlorine in hydrocarbon-air diffusion flames

    International Nuclear Information System (INIS)

    Venkatesh, S.; Saito, K.; Stencel, J.M.; Majidi, V.; Owens, M.

    1991-01-01

    Soot is an inevitable product of incomplete combustion in many practical combustion systems such as automobiles, incinerators and furnaces. Recent studies on chlorinated hydrocarbon combustion have shown that soot and other praticulates (eg. fly ash) play an important role in secondary reactions leading to the formation of chlorine substituted polyaromatic hydrocarbons (PAHs). In order to attain very high destruction efficiencies the fundamental chemical and physical processes that are associated with combustion, and post-combustion cleanup must be well understood. In order to understand the effect of chlorine on the soot formed in a combustion system, fundamental studies using a coflow laminar hydrocarbon-air diffusion flame have been carried out. Phenomenological studies have revealed the effect of chlorine on the visible structure of the flame. Soot inception activation energies were estimated for methane, ethane and ethylene diffusion flames for the case of with and without chlorine addition. No significant difference in the activation energy was estimated for either case. The effect of chlorine on the soot escape rate of an acetylene diffusion flame was estimated. The soot formed in these diffusion flames was analyzed for chlorine using scanning electron microscopy with energy dispersive spectroscopy (SEM/EDS) and by laser induced plasma spectroscopy (LIPS). REsults from these techniques indicate the presence of chlorine in the soot formed. In this paper a chemical scheme to explain the chlorine found in the soot is proposed based on known theories of soot formation

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

    International Nuclear Information System (INIS)

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

    1995-03-01

    Following their retreat from Kuwait during February and March of 1991, the Iraqi Army set fire to over 500 oil wells dispersed throughout the Kuwait oil fields. During the period of sampling from July to August 1991, it was estimated that between 3.29 x 10 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

  9. Quantum chemistry

    CERN Document Server

    Lowe, John P

    1993-01-01

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

  10. Evaluating possible industrial applications of combustible shales and shale ash wastes

    Directory of Open Access Journals (Sweden)

    Н. К. Кондрашева

    2016-08-01

    Full Text Available Today energy consumption is constantly growing while explored reserves of easily accessible oil are depleting, which is a reason why most countries tend to diversify their energy mix, develop non-hydrocarbon energy sources and use domestic types of fuel, including the low grade ones. Thereby interest is raised to such a source of hydrocarbons as combustible shales. Combustible shales appear to be one of the highest-potential types of organic raw materials, which may offset and in future even substitute oil products and gas. The paper is investigating behavior and structure of combustible shales during heat treatment in order to identify their possible industrial applications. A synchronous thermal analysis has been held, chemical composition of combustible shales’ mineral fraction and optimal conditions for shale fines briquetting have been determined.

  11. Fuels and Combustion

    KAUST Repository

    Johansson, Bengt

    2016-08-17

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

  12. Fuels and Combustion

    KAUST Repository

    Johansson, Bengt

    2016-01-01

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

  13. Combustion of alternative fuels in vortex trapped combustor

    International Nuclear Information System (INIS)

    Ghenai, Chaouki; Zbeeb, Khaled; Janajreh, Isam

    2013-01-01

    Highlights: ► We model the combustion of alternative fuels in trapped vortex combustor (TVC). ► We test syngas and hydrogen/hydrocarbon mixture fuels. ► We examine the change in combustion performance and emissions of TVC combustor. ► Increasing the hydrogen content of the fuel will increase the temperature and NO x emissions. ► A high combustor efficiency is obtained for fuels with different compositions and LHV. - Abstract: Trapped vortex combustor represents an efficient and compact combustor for flame stability. Combustion stability is achieved through the use of cavities in which recirculation zones of hot products generated by the direct injection of fuel and air are created and acting as a continuous source of ignition for the incoming main fuel–air stream. Computational Fluid Dynamics analysis was performed in this study to test the combustion performance and emissions from the vortex trapped combustor when natural gas fuel (methane) is replaced with renewable and alternative fuels such as hydrogen and synthetic gas (syngas). The flame temperature, the flow field, and species concentrations inside the Vortex Trapped Combustor were obtained. The results show that hydrogen enriched hydrocarbon fuels combustion will result in more energy, higher temperature (14% increase when methane is replaced with hydrogen fuels) and NO x emissions, and lower CO 2 emissions (50% decrease when methane is replaced with methane/hydrogen mixture with 75% hydrogen fraction). The NO x emission increases when the fraction of hydrogen increases for methane/hydrogen fuel mixture. The results also show that the flame for methane combustion fuel is located in the primary vortex region but it is shifted to the secondary vortex region for hydrogen combustion.

  14. Characterization of a nose-only inhalation exposure system for hydrocarbon mixtures and jet fuels.

    Science.gov (United States)

    Martin, Sheppard A; Tremblay, Raphael T; Brunson, Kristyn F; Kendrick, Christine; Fisher, Jeffrey W

    2010-04-01

    A directed-flow nose-only inhalation exposure system was constructed to support development of physiologically based pharmacokinetic (PBPK) models for complex hydrocarbon mixtures, such as jet fuels. Due to the complex nature of the aerosol and vapor-phase hydrocarbon exposures, care was taken to investigate the chamber hydrocarbon stability, vapor and aerosol droplet compositions, and droplet size distribution. Two-generation systems for aerosolizing fuel and hydrocarbons were compared and characterized for use with either jet fuels or a simple mixture of eight hydrocarbons. Total hydrocarbon concentration was monitored via online gas chromatography (GC). Aerosol/vapor (A/V) ratios, and total and individual hydrocarbon concentrations, were determined using adsorbent tubes analyzed by thermal desorption-gas chromatography-mass spectrometry (TDS-GC-MS). Droplet size distribution was assessed via seven-stage cascade impactor. Droplet mass median aerodynamic diameter (MMAD) was between 1 and 3 mum, depending on the generator and mixture utilized. A/V hydrocarbon concentrations ranged from approximately 200 to 1300 mg/m(3), with between 20% and 80% aerosol content, depending on the mixture. The aerosolized hydrocarbon mixtures remained stable during the 4-h exposure periods, with coefficients of variation (CV) of less than 10% for the total hydrocarbon concentrations. There was greater variability in the measurement of individual hydrocarbons in the A-V phase. In conclusion, modern analytical chemistry instruments allow for improved descriptions of inhalation exposures of rodents to aerosolized fuel.

  15. Microemulsions in the Preparation of Highly Active Combustion Catalysts

    Czech Academy of Sciences Publication Activity Database

    Rymeš, Jan; Ehret, G.; Hilaire, L.; Boutonnet, M.; Jirátová, Květa

    2002-01-01

    Roč. 75, 1-4 (2002), s. 297-303 ISSN 0920-5861 R&D Projects: GA ČR GA106/02/0523 Institutional research plan: CEZ:AV0Z4072921 Keywords : microemulsion s * catalytic combustion * VOC Subject RIV: CI - Industrial Chemistry, Chemical Engineering Impact factor: 2.146, year: 2002

  16. Materials Chemistry

    CERN Document Server

    Fahlman, Bradley D

    2011-01-01

    The 2nd edition of Materials Chemistry builds on the strengths that were recognized by a 2008 Textbook Excellence Award from the Text and Academic Authors Association (TAA). Materials Chemistry addresses inorganic-, organic-, and nano-based materials from a structure vs. property treatment, providing a suitable breadth and depth coverage of the rapidly evolving materials field. The 2nd edition continues to offer innovative coverage and practical perspective throughout. After briefly defining materials chemistry and its history, seven chapters discuss solid-state chemistry, metals, semiconducting materials, organic "soft" materials, nanomaterials, and materials characterization. All chapters have been thoroughly updated and expanded with, for example, new sections on ‘soft lithographic’ patterning, ‘click chemistry’ polymerization, nanotoxicity, graphene, as well as many biomaterials applications. The polymer and ‘soft’ materials chapter represents the largest expansion for the 2nd edition. Each ch...

  17. Analysis and control of harmful emissions from combustion processes

    OpenAIRE

    Jafari, Ahmad

    2000-01-01

    This thesis was submitted for the degree of Doctor of Philosophy and awarded by Brunel University. The harmful effects of air pollutants on human beings and environment have been the major reason for efforts in sampling, analysis and control of their sources. The major pollutants emitted to atmosphere from stationary combustion processes are nitrogen oxides, inorganic acids, carbon dioxide, carbon monoxide, hydrocarbon and soot. In the current work two methods are developed for sampl...

  18. Prediction of Combustion Instability with Detailed Chemical Kinetics

    Science.gov (United States)

    2014-12-01

    of combustion instability. The mechanisms used for methane oxidation are the GRI 1.2 set that comprises of 32 chemical species and 177 reactions. All...with a single step global reaction and the GRI -1.2 kinetics mechanism which contains 177 reactions. The paper is organized as follows, Section II...flame speeds10. GRI -1.2 is a more complete set of hydrocarbon reactions consisting of 177 reactions involving 32 species and was optimized for natural

  19. The role of chlorine and additives of PVC-plastic in combustion

    International Nuclear Information System (INIS)

    Mattila, H.

    1991-01-01

    The PVC differs from other common plastics due to the chlorine content. As the PVC is combusted, the chlorine is released mainly as hydrogen chloride. The content of chlorinated hydrocarbons is small, but these can also contain polychlorinated dibenzofuranes and dibenzodioxines, which are extremely poisonous. The aim of this study was to find out, what is the portion of PVC combustion in total emission of chlorinated hydrocarbons. Additionally, the amounts chlorine coming into combustion process with ordinary fuels have been estimated, and they are compared with the amounts of PVC. The chloride content of municipal wastes vary in between 0.4-0.9 %. The portion of plastics is about 30 % of the total, and the rest being from paper, food , wood and garden wastes an textiles. Both organic and inorganic chlorine form gaseous hydrogen chlorid in combustion processes. HCl can then react with oxygen and produce caseous chlorine. This can react with unreacted carbon of the smoke and produce different kinds of chlorinated hydrocarbons. The portion of PVC of the chlorine going into combustion in Finland has been estimated to be about 1-2 %. Combustion tests were made using coal and bark and plastic waste as additional fuel. It was noticed that addition of plastic decreased the amount of polyaromatic hydrocarbons in the smoke. Chlorinated dioxins and furans occurred a little less in the gases of combustion of plastic mixtures not containing PVC than in reference tests, but they increased when PVC containing plastic mixture was combusted, but more chlorinated dioxins and furans were absorbed into fly ash, so the emissions remained almost the same

  20. Analytical chemistry

    Energy Technology Data Exchange (ETDEWEB)

    Choi, Jae Seong

    1993-02-15

    This book is comprised of nineteen chapters, which describes introduction of analytical chemistry, experimental error and statistics, chemistry equilibrium and solubility, gravimetric analysis with mechanism of precipitation, range and calculation of the result, volume analysis on general principle, sedimentation method on types and titration curve, acid base balance, acid base titration curve, complex and firing reaction, introduction of chemical electro analysis, acid-base titration curve, electrode and potentiometry, electrolysis and conductometry, voltammetry and polarographic spectrophotometry, atomic spectrometry, solvent extraction, chromatograph and experiments.

  1. Analytical chemistry

    International Nuclear Information System (INIS)

    Choi, Jae Seong

    1993-02-01

    This book is comprised of nineteen chapters, which describes introduction of analytical chemistry, experimental error and statistics, chemistry equilibrium and solubility, gravimetric analysis with mechanism of precipitation, range and calculation of the result, volume analysis on general principle, sedimentation method on types and titration curve, acid base balance, acid base titration curve, complex and firing reaction, introduction of chemical electro analysis, acid-base titration curve, electrode and potentiometry, electrolysis and conductometry, voltammetry and polarographic spectrophotometry, atomic spectrometry, solvent extraction, chromatograph and experiments.

  2. Analytical chemistry

    Energy Technology Data Exchange (ETDEWEB)

    Chae, Myeong Hu; Lee, Hu Jun; Kim, Ha Seok

    1989-02-15

    This book give explanations on analytical chemistry with ten chapters, which deal with development of analytical chemistry, the theory of error with definition and classification, sample and treatment gravimetry on general process of gravimetry in aqueous solution and non-aqueous solution, precipitation titration about precipitation reaction and types, complexometry with summary and complex compound, oxidation-reduction equilibrium on electrode potential and potentiometric titration, solvent extraction and chromatograph and experiment with basic operation for chemical experiment.

  3. Analytical chemistry

    International Nuclear Information System (INIS)

    Chae, Myeong Hu; Lee, Hu Jun; Kim, Ha Seok

    1989-02-01

    This book give explanations on analytical chemistry with ten chapters, which deal with development of analytical chemistry, the theory of error with definition and classification, sample and treatment gravimetry on general process of gravimetry in aqueous solution and non-aqueous solution, precipitation titration about precipitation reaction and types, complexometry with summary and complex compound, oxidation-reduction equilibrium on electrode potential and potentiometric titration, solvent extraction and chromatograph and experiment with basic operation for chemical experiment.

  4. Green Chemistry

    Energy Technology Data Exchange (ETDEWEB)

    Collison, Melanie

    2011-05-15

    Green chemistry is the science of chemistry used in a way that will not use or create hazardous substances. Dr. Rui Resendes is working in this field at GreenCentre Canada, an offshoot of PARTEQ Innovations in Kingston, Ontario. GreenCentre's preliminary findings suggest their licensed product {sup S}witchable Solutions{sup ,} featuring 3 classes of solvents and a surfactant, may be useful in bitumen oil sands extraction.

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

    KAUST Repository

    Magnotti, G.

    2015-05-09

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

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

    KAUST Repository

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

    2015-01-01

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

  7. Combustion and direct energy conversion inside a micro-combustor

    International Nuclear Information System (INIS)

    Lei, Yafeng; Chen, Wei; Lei, Jiang

    2016-01-01

    Highlights: • The flammability range of micro-combustor was broadened with heat recirculation. • The quenching diameter decreased with heat recirculation compared to without recirculation. • The surface areas to volume ratio was the most important parameter affecting the energy conversion efficiency. • The maximum conversion efficiency (3.15%) was achieved with 1 mm inner diameter. - Abstract: Electrical energy can be generated by employing a micro-thermophotovoltaic (TPV) cell which absorbs thermal radiation from combustion taking place in a micro-combustor. The stability of combustion in a micro-combustor is essential for operating a micro-power system using hydrogen and hydrocarbon fuels as energy source. To understand the mechanism of sustaining combustion within the quenching distance of fuel, this study proposed an annular micro combustion tube with recirculation of exhaust heat. To explore the feasibility of combustion in the micro annular tube, the parameters influencing the combustion namely, quenching diameter, and flammability were studied through numerical simulation. The results indicated that combustion could be realized in micro- combustor using heat recirculation. Following results were obtained from simulation. The quenching diameter reduced from 1.3 mm to 0.9 mm for heat recirculation at equivalence ratio of 1; the lean flammability was 2.5%–5% lower than that of without heat recirculation for quenching diameters between 2 mm and 5 mm. The overall energy conversion efficiency varied at different inner diameters. A maximum efficiency of 3.15% was achieved at an inner diameter of 1 mm. The studies indicated that heat recirculation is an effective strategy to maintain combustion and to improve combustion limits in micro-scale system.

  8. Fuel Combustion Laboratory | Transportation Research | NREL

    Science.gov (United States)

    Fuel Combustion Laboratory Fuel Combustion Laboratory NREL's Fuel Combustion Laboratory focuses on designs, using both today's technology and future advanced combustion concepts. This lab supports the combustion chamber platform for fuel ignition kinetics research, was acquired to expand the lab's

  9. Process for desulfurizing hydrocarbons

    Energy Technology Data Exchange (ETDEWEB)

    1937-04-12

    A process is described for the desulfurization of a mixture of hydrocarbons, and in particular hydrocarbons containing less than 7 atoms of carbon and sulfur compounds of the type of sulfur carbonyl, characterized by the fact that the mixture, preferably in the liquid phase, is brought in contact with a solution of caustic alkali, essentially anhydrous or preferably with a solution of alkali hydroxide in an organic hydroxy nonacid solvent, for example, an alcohol, or with an alkaline alcoholate, under conditions suitable to the formation of hydrogen sulfide which produces a hydrocarbon mixture free from sulfur compounds of the sulfur carbonyl type but containing hydrogen sulfide, and that it is treated, following mixing, having beem submitted to the first treatment, by means of aqueous alkaline hydroxide to eliminate the hydrogen sulfide.

  10. A comparison of the C{sub 2}-C{sub 9} hydrocarbon compositions of vehicle fuels and urban air in Dublin, Ireland

    Energy Technology Data Exchange (ETDEWEB)

    Broderick, B M; Marnane, I S [Trinity College, Dublin (Ireland). Dept. of Civil, Structural and Environmental Engineering

    2002-07-01

    Hourly roadside hydrocarbon concentrations were measured over a six-week period at a heavily trafficked junction in Dublin city centre. Samples of ten typical leaded and unleaded petrol fuels used in Irish vehicles were also collected and their hydrocarbon compositions determined. The measured ambient hydrocarbon concentrations are presented, as are the properties of each of the analysed fuels. Comparison of the ambient hydrocarbon concentrations and the fuel hydrocarbon composition reveals a strong correlation for most hydrocarbons, except those compounds that were wholly combustion derived (i.e. not present in the fuel). Different characteristics were noted for aromatics, alkanes and alkenes. The comparison of roadside ambient air and fuel hydrocarbon content agrees well with other studies that have compared fuel content and exhaust composition. The relative impacts of exhaust and evaporative emissions on roadside hydrocarbon concentrations are apparent. (Author)

  11. Recovery of hydrocarbon oils

    Energy Technology Data Exchange (ETDEWEB)

    1941-02-10

    A process is disclosed for recovery of hydrocarbon oils, especially lubricating oils or diesel oils, through pressure hydrogenation of distillation, extraction of hydrogenation products from coal or coaly materials or from oils such as mineral oils or tars in liquid phase by use in a reaction vessel of fixed-bed catalysts, characterized in that as starting material is employed material which has been freed of asphaltic and resinous material by hydrogenation refining, vacuum-steam distillation, treatment with hydrogen-rich hydrocarbons (hydroforming), or sulfuric acid.

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

    Science.gov (United States)

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

    2007-05-17

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

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

    KAUST Repository

    Cai, Liming

    2015-01-01

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

  14. Modelling of fuel spray and combustion in diesel engines

    Energy Technology Data Exchange (ETDEWEB)

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

    1998-12-31

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

  15. Modelling of fuel spray and combustion in diesel engines

    Energy Technology Data Exchange (ETDEWEB)

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

    1997-12-31

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

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

    Science.gov (United States)

    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.

  17. The Effects of Sooting and Radiation on Droplet Combustion

    Science.gov (United States)

    Lee, Kyeong-Ook; Manzello, Samuel L.; Choi, Mun Young

    1997-01-01

    The burning of liquid hydrocarbon fuels accounts for a significant portion of global energy production. With predicted future increases in demand and limited reserves of hydrocarbon fuel, it is important to maximize the efficiency of all processes that involve conversion of fuel. With the exception of unwanted fires, most applications involve introduction of liquid fuels into an oxidizing environment in the form of sprays which are comprised of groups of individual droplets. Therefore, tremendous benefits can result from a better understanding of spray combustion processes. Yet, theoretical developments and experimental measurements of spray combustion remains a daunting task due to the complex coupling of a turbulent, two-phase flow with phase change and chemical reactions. However, it is recognized that individual droplet behavior (including ignition, evaporation and combustion) is a necessary component for laying the foundation for a better understanding of spray processes. Droplet combustion is also an ideal problem for gaining a better understanding of non-premixed flames. Under the idealized situation producing spherically-symmetric flames (produced under conditions of reduced natural and forced convection), it represents the simplest geometry in which to formulate and solve the governing equations of mass, species and heat transfer for a chemically reacting two phase flow with phase change. The importance of this topic has promoted extensive theoretical investigations for more than 40 years.

  18. Emission of toxic air pollutants from biomass combustion

    International Nuclear Information System (INIS)

    Houck, J.E.; Barnett, S.G.; Roholt, R.B.; Rock, M.E.

    1991-01-01

    Combustion of biomass for power generation, home heating, process steam generation, and waste disposal constitutes a major source of air pollutants nationwide. Emissions from hog-fueled boilers, demolition wood-fired power plants, municipal waste incinerators, woodstoves, fireplaces, pellet stoves, agricultural burning, and forestry burning have been characterized for a variety of purposes. These have included risk assessment, permitting, emission inventory development, source profiling for receptor modeling, and control technology evaluations. From the results of the source characterization studies a compilation of emission factors for criteria and non-criteria pollutants are presented here. Key among these pollutants are polycyclic aromatic hydrocarbons, priority pollutant metals, carbon monoxide, sulfur dioxide, nitrous oxides, and PM 10 particles. The emission factors from the biomass combustion processes are compared and contrasted with other pollutant sources. In addition, sampling and analysis procedures most appropriate for characterizing emissions from the biomass combustion sources are also discussed

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

    Directory of Open Access Journals (Sweden)

    Dragos D. Isvoranu

    2003-01-01

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

  20. Effect of hydrocarbons on plasma treatment of NOx

    Energy Technology Data Exchange (ETDEWEB)

    Penetrante, B.M.; Pitz, W.J.; Hsaio, M.C.; Merritt, B.T.; Vogtlin, G.E. [Lawrence Livermore National Lab., CA (United States)

    1997-12-31

    Lean burn gasoline engine exhausts contain a significant amount of hydrocarbons in the form of propene. Diesel engine exhausts contain little gaseous hydrocarbon; however, they contain a significant amount of liquid-phase hydrocarbons (known as the volatile organic fraction) in the particulates. The objective of this paper is to examine the fate of NO{sub x} when an exhaust gas mixture that contains hydrocarbons is subjected to a plasma. The authors will show that the hydrocarbons promote the oxidation of NO to NO{sub 2}, but not the reduction of NO to N{sub 2}. The oxidation of NO to NO{sub 2} is strongly coupled with the hydrocarbon oxidation chemistry. This result suggests that gas-phase reactions in the plasma alone cannot lead to the chemical reduction of NO{sub x}. Any reduction of NO{sub x} to N{sub 2} can only be accomplished through heterogeneous reactions of NO{sub 2} with surfaces or particulates.

  1. Shale oil combustion

    International Nuclear Information System (INIS)

    Al-dabbas, M.A.

    1992-05-01

    A 'coutant' carbon steel combustion chamber cooled by water jacket was conslructed to burn diesel fuel and mixlure of shale oil and diesel fuels. During experimental work nir fuel ratio was determined, temperaturces were measured using Chromel/ Almel thermocouple, finally the gasous combustion product analysis was carricd out using gas chromatograph technique. The constructed combustion chamber was operating salisfactory for several hours of continous work. According to the measurements it was found that: the flame temperature of a mixture of diesel and shale oil fuels was greater than the flame temperature of diesel fuel. and the sulfer emissious of a mixture of diesel and shale oil fuels was higher than that of diesel fuel. Calculation indicated that the dry gas energy loss was very high and the incomplete combustion energy loss very small. (author). 23 refs., 35 figs

  2. Shale oil combustion

    Energy Technology Data Exchange (ETDEWEB)

    Al-dabbas, M A

    1992-05-01

    A `coutant` carbon steel combustion chamber cooled by water jacket was conslructed to burn diesel fuel and mixlure of shale oil and diesel fuels. During experimental work nir fuel ratio was determined, temperaturces were measured using Chromel/ Almel thermocouple, finally the gasous combustion product analysis was carricd out using gas chromatograph technique. The constructed combustion chamber was operating salisfactory for several hours of continous work. According to the measurements it was found that: the flame temperature of a mixture of diesel and shale oil fuels was greater than the flame temperature of diesel fuel. and the sulfer emissious of a mixture of diesel and shale oil fuels was higher than that of diesel fuel. Calculation indicated that the dry gas energy loss was very high and the incomplete combustion energy loss very small. (author). 23 refs., 35 figs.

  3. Indoor combustion and asthma.

    Science.gov (United States)

    Belanger, Kathleen; Triche, Elizabeth W

    2008-08-01

    Indoor combustion produces both gases (eg, nitrogen dioxide, carbon monoxide) and particulate matter that may affect the development or exacerbation of asthma. Sources in the home include both heating devices (eg, fireplaces, woodstoves, kerosene heaters, flued [ie, vented] or nonflued gas heaters) and gas stoves for cooking. This article highlights the recent literature examining associations between exposure to indoor combustion and asthma development and severity. Since asthma is a chronic condition affecting both children and adults, both age groups are included in this article. Overall, there is some evidence of an association between exposure to indoor combustion and asthma, particularly asthma symptoms in children. Some sources of combustion such as coal stoves have been more consistently associated with these outcomes than other sources such as woodstoves.

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

    International Nuclear Information System (INIS)

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

    2011-01-01

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

  5. Aromatic hydrocarbon concentrations in sediments of Placentia Bay, Newfoundland

    International Nuclear Information System (INIS)

    Kiceniuk, J.W.

    1992-01-01

    A study was conducted to examine the potential for contamination of recent sediments with polycyclic aromatic hydrocarbons due to tanker and refinery activity in Placentia Bay, Newfoundland, an area without large local anthropogenic sources of aromatics. Sediment samples were taken from the vicinity of the Come By Chance refinery, Woody Island, Wild Cove, and Port Royal Arm, all in the north end of the bay. The samples were extracted by two methods, dichloromethane extraction of dried sediment for determination of total aromatic hydrocarbon content and hexane extraction of wet sediment for estimation of the bioavailability of hydrocarbons and determination of more volatile compounds. Class analysis of aromatic hydrocarbons was conducted on a NH 2 column with detection at 255 nm. Total concentrations of di-tricyclic aromatics were highest at the Woody Island site (0.6 μg/g). The sediments from the Come By Chance site, Wild Cove, and Port Royal Arm sediments contained 0.3, 0.1, and 0.2 μg/g respectively. The hexane extracts from Come By Chance were lowest in di-tricyclic aromatics (0.007 μg/g), with the other sites being equal in concentration (0.01 μg/g). It is evident from the study that aromatic hydrocarbon concentrations in Placentia Bay are elevated in some parts of the bay in the absence of local combustion sources, and that the most likely source is petroleum. 12 refs., 5 figs., 2 tabs

  6. High atmosphere–ocean exchange of semivolatile aromatic hydrocarbons

    KAUST Repository

    González-Gaya, Belén

    2016-05-16

    Polycyclic aromatic hydrocarbons, and other semivolatile aromatic-like compounds, are an important and ubiquitous fraction of organic matter in the environment. The occurrence of semivolatile aromatic hydrocarbons is due to anthropogenic sources such as incomplete combustion of fossil fuels or oil spills, and other biogenic sources. However, their global transport, fate and relevance for the carbon cycle have been poorly assessed, especially in terms of fluxes. Here we report a global assessment of the occurrence and atmosphere-ocean fluxes of 64 polycyclic aromatic hydrocarbons analysed in paired atmospheric and seawater samples from the tropical and subtropical Atlantic, Pacific and Indian oceans. The global atmospheric input of polycyclic aromatic hydrocarbons to the global ocean is estimated at 0.09 Tg per month, four times greater than the input from the Deepwater Horizon spill. Moreover, the environmental concentrations of total semivolatile aromatic-like compounds were 10 2 -10 3 times higher than those of the targeted polycyclic aromatic hydrocarbons, with a relevant contribution of an aromatic unresolved complex mixture. These concentrations drive a large global deposition of carbon, estimated at 400 Tg C yr -1, around 15% of the oceanic CO2 uptake. © 2016 Macmillan Publishers Limited.

  7. Optrode for sensing hydrocarbons

    Science.gov (United States)

    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.

  8. Catalyst for hydrocarbon conversion

    International Nuclear Information System (INIS)

    Duhaut, P.; Miquel, J.

    1975-01-01

    A description is given for a catalyst and process for hydrocarbon conversions, e.g., reforming. The catalyst contains an alumina carrier, platinum, iridium, at least one metal selected from uranium, vanadium, and gallium, and optionally halogen in the form of metal halide of one of the aforesaid components. (U.S.)

  9. Moss as bio-indicators of human exposure to polycyclic aromatic hydrocarbons in Portland, OR

    Science.gov (United States)

    Geoffrey H. Donovan; Sarah E. Jovan; Demetrios Gatziolis; Vicente J. Monleon

    2015-01-01

    Polycyclic aromatic hydrocarbons (PAHs) are a class of air pollutants linked to a wide range of adverse health outcomes, including asthma, cancers, cardiovascular disease, and fetal growth impairment. PAHs are emitted by combustion of organic matter (e.g. fossil fuels, plant biomass) and can accumulate in plant and animal tissues over time. Compared to criteria...

  10. General chemistry

    International Nuclear Information System (INIS)

    Kwon, Yeong Sik; Lee, Dong Seop; Ryu, Haung Ryong; Jang, Cheol Hyeon; Choi, Bong Jong; Choi, Sang Won

    1993-07-01

    The book concentrates on the latest general chemistry, which is divided int twenty-three chapters. It deals with basic conception and stoichiometry, nature of gas, structure of atoms, quantum mechanics, symbol and structure of an electron of ion and molecule, chemical thermodynamics, nature of solid, change of state and liquid, properties of solution, chemical equilibrium, solution and acid-base, equilibrium of aqueous solution, electrochemistry, chemical reaction speed, molecule spectroscopy, hydrogen, oxygen and water, metallic atom; 1A, IIA, IIIA, carbon and atom IVA, nonmetal atom and an inert gas, transition metals, lanthanons, and actinoids, nuclear properties and radioactivity, biochemistry and environment chemistry.

  11. Radiation chemistry

    International Nuclear Information System (INIS)

    Swallow, A.J.

    1983-01-01

    The subject is covered in chapters, entitled: introduction (defines scope of article as dealing with the chemistry of reactive species, (e.g. excess electrons, excited states, free radicals and inorganic ions in unusual valency states) as studied using radiation with radiation chemistry in its traditional sense and with biological and industrial applications); gases; water and simple inorganic systems; aqueous metallo-organic compounds and metalloproteins; small organic molecules in aqueous solution; microheterogeneous systems; non-aqueous liquids and solutions; solids; biological macromolecules; synthetic polymers. (U.K.)

  12. Indoor Chemistry

    DEFF Research Database (Denmark)

    Weschler, Charles J.; Carslaw, Nicola

    2018-01-01

    This review aims to encapsulate the importance, ubiquity, and complexity of indoor chemistry. We discuss the many sources of indoor air pollutants and summarize their chemical reactions in the air and on surfaces. We also summarize some of the known impacts of human occupants, who act as sources...... and sinks of indoor chemicals, and whose activities (e.g., cooking, cleaning, smoking) can lead to extremely high pollutant concentrations. As we begin to use increasingly sensitive and selective instrumentation indoors, we are learning more about chemistry in this relatively understudied environment....

  13. Bioaccumulation of hydrocarbons derived from terrestrial and anthropogenic sources in the Asian clam, Potamocorbula amurensis, in San Francisco Bay estuary

    Science.gov (United States)

    Pereira, Wilfred E.; Hostettler, Frances D.; Rapp, John B.

    1992-01-01

    An assessment was made in Suisun Bay, California, of the distributions of hydrocarbons in estuarine bed and suspended sediments and in the recently introduced asian clam, Potamocorbula amurensis. Sediments and clams were contaminated with hydrocarbons derived from petrogenic and pyrogenic sources. Distributions of alkanes and of hopane and sterane biomarkers in sediments and clams were similar, indicating that petroleum hydrocarbons associated with sediments are bioavailable to Potamocorbula amurensis. Polycyclic aromatic hydrocarbons in the sediments and clams were derived mainly from combustion sources. Potamocorbula amurensis is therefore a useful bioindicator of hydrocarbon contamination, and may be used as a biomonitor of hydrocarbon pollution in San Francisco Bay.

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

    Energy Technology Data Exchange (ETDEWEB)

    Chungen Yin

    2011-01-15

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

  15. TEM investigations of microstructures of combustion aerosols

    International Nuclear Information System (INIS)

    Marquardt, A.; Hackfort, H.; Borchardt, J.; Schober, T.; Friedrich, J.

    1992-12-01

    In the incineration of organic material, apart from a series of gaseous pollutants, particulate pollutants or combustion aerosols also arise. The latter frequently consist of particles with a solid core of carbon to which a large number of inorganic and organic compounds are attached. These primarily include the polycyclic aromatic hydrocarbons (PAH) and their nitro-derivatives (NPAH), whose mutagenic or carcinogenic effect is known. The invisible particle sizes in the nanometer range, whose retention in the incineration off-gas is not state of the art, are of increasing significance for man and environment. On the one hand, they are deposited almost completely in the human lung. On the other hand, due to their fine dispersity they have along residence time in the atmosphere where they participate in chemical reactions and climatically significant processes. Important insights about the formation process of combustion aerosols are to be expected from the imaging of their microstructures in the transmission electron microscope (TEM). The present contribution describes the development and application of a representative sampling procedure for aerosols from a partial flow of flue gas from a fluidized-bed furnace. The method developed consists of electrically charging aerosol particles in situ and subsequently selectively precipitating them onto a microscope slide in an electric field. TEM studies of aerosol microstructures on the microscope slides revealed that in the combustion of petrol and heating oil under different combustion conditions in principle the same particle structures result, whereas in the incineration of used lubricating oil quite different particle structures were found. Results from the literature on aerosol microstructures in exhaust gases from petrol and diesel engines demonstrate agreement with the results of this study in the basic structure of the particles. (orig.) [de

  16. Handbook of heterocyclic chemistry

    National Research Council Canada - National Science Library

    Katritzky, Alan R

    2010-01-01

    ... Heterocyclic Chemistry I (1984) Comprehensive Heterocyclic Chemistry II (1996) Comprehensive Heterocyclic Chemistry III (2008) Comprehensive Organic Functional Group Transformations I (1995) Compreh...

  17. Reinventing Chemistry

    OpenAIRE

    Whitesides, George McClelland

    2015-01-01

    Chemistry is in a period of change, from an era focused on molecules and reactions, to one in which manipulations of systems of molecules and reactions will be essential parts of controlling larger systems. This Essay traces paths from the past to possible futures.

  18. Chemistry Notes

    Science.gov (United States)

    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…

  19. Thermogravimetric investigation on characteristic of biomass combustion under the effect of organic calcium compounds.

    Science.gov (United States)

    Zhang, Lihui; Duan, Feng; Huang, Yaji

    2015-01-01

    Experiments were conducted in a thermogravimetric analyzer to investigate thermal behavior of different organic calcium compounds (OCCs) and its blended fuels with three kinds of biomass. The effectiveness of synthesized method for OCC was assessed by the pyrolysis test. Effect of the mole ratio of calcium to sulfur on co-combustion characteristics was studied. Results indicated that preparation method of modified calcium acetate (MCA) had high precision and accuracy. Co-combustion characteristic of OCCs blended with biomass was controlled by OCCs' additive amount and the content of volatile matter which is mainly composed of small hydrocarbon molecules. Combustion performance indexes for peanut shell and wheat straw impregnated by OCCs were improved, however, an inverse trend was found for rice husk because of lower additive amount of OCCs. The blended fuel show higher combustion performance indexes compared with combustion of individual biomass, and these indexes decrease with increases of Ca/S ratio. Copyright © 2014 Elsevier Ltd. All rights reserved.

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

    Science.gov (United States)

    Palomo, C. M.; Yan, B.

    2013-12-01

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

  1. Non-traditional Process of Hydrogen Containing Fuel Mixtures Production for Internal-combustion Engines

    Directory of Open Access Journals (Sweden)

    Gennady G. Kuvshinov

    2012-12-01

    Full Text Available The article justifies the perspectives of development of the environmentally sound technology of hydrogen containing fuel mixtures for internal-combustion engines based on the catalytic process of low-temperature decomposition of hydrocarbons into hydrogen and nanofibrous carbon.

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

    NARCIS (Netherlands)

    Hernandez Perez, F.E.

    2011-01-01

    Hydrogen (H2) enrichment of hydrocarbon fuels in lean premixed systems is desirable since it can lead to a progressive reduction in greenhouse-gas emissions, while paving the way towards pure hydrogen combustion. In recent decades, large-eddy simulation (LES) has emerged as a promising tool to

  3. Correlation between air flow rate and pollutant concentrations during two-stage oak log combustion in a 25 KW residential boiler

    Directory of Open Access Journals (Sweden)

    Juszczak Marek

    2016-09-01

    Full Text Available It can be expected that there is a considerable correlation between combustion air flow rate and the concentrations of carbon monoxide, hydrocarbons and nitrogen oxide in the flue gas. The influence of temperature and oxygen concentration in the combustion zone on the concentrations of carbon monoxide, hydrocarbons and nitrogen oxide in the flue gas, for high and low combustion air flow, was analysed. Oxygen concentration for which the concentration of carbon monoxide is the lowest was determined, as well as the mutual relation between carbon monoxide and nitrogen oxide concentration.

  4. Organic chemistry in the atmosphere. [laboratory modeling of Titan atmosphere

    Science.gov (United States)

    Sagan, C.

    1974-01-01

    The existence of an at least moderately complex organic chemistry on Titan is stipulated based on clear evidence of methane, and at least presumptive evidence of hydrogen in its atmosphere. The ratio of methane to hydrogen is the highest of any atmosphere in the solar system. Irradiation of hydrogen/methane mixtures produces aromatic and aliphatic hydrocarbons. A very reasonable hypothesis assumes that the red cloud cover of Titan is made of organic chemicals. Two-carbon hydrocarbons experimentally produced from irradiated mixtures of methane, ammonia, water, and hydrogen bear out the possible organic chemistry of the Titanian environment.

  5. Distilling hydrocarbons, etc

    Energy Technology Data Exchange (ETDEWEB)

    Turner, C

    1917-11-23

    In the fractional or destructive distillation of hydrocarbon oils or other liquids, the pressure in the still is raised and lowered alternately. The still is closed to raise the pressure, and is opened to lower the pressure rapidly solely by expansion of the vapors. The operation is effected without intermittent cooling, except such as may occur during the lowering of the pressure. In distilling hydrocarbon oil, pressure steam is blown into the oil until the pressure reaches 5 lb/in./sup 2/. The vapor outlet is then opened until the pressure falls to 2 lb/in./sup 2/, whereupon the vapor outlet is closed and steam is again admitted. The operation is continued until the steam, which is of 20 lb pressure, no longer effects distillation; after this stage, superheated steam is used.

  6. Distilling hydrocarbon oils

    Energy Technology Data Exchange (ETDEWEB)

    Tausz, J

    1924-07-16

    Hydrocarbon oils such as petroleum, shale oils, lignite or coal tar oils are purified by distilling them and collecting the distillate in fractions within narrow limits so that all the impurities are contained in one or more of the narrow fractions. In distilling ligroin obtained by destructive distillation of brown coal, it is found that the coloring and resin-forming constituents are contained in the fractions distilling over at 62 to 86/sup 0/C and 108/sup 0/C. The ligroin is purified, therefore, by distillating in an apparatus provided with an efficient dephlegmotor and removing these two fractions. The distillation may be carried out wholly or in part under reduced pressure, and fractions separated under ordinary pressure may be subsequently distilled under reduced pressure. The hydrocarbons may be first separated into fractions over wider limits and the separate fractions be subjected to a further fractional distillation.

  7. Transient flow combustion

    Science.gov (United States)

    Tacina, R. R.

    1984-01-01

    Non-steady combustion problems can result from engine sources such as accelerations, decelerations, nozzle adjustments, augmentor ignition, and air perturbations into and out of the compressor. Also non-steady combustion can be generated internally from combustion instability or self-induced oscillations. A premixed-prevaporized combustor would be particularly sensitive to flow transients because of its susceptability to flashback-autoignition and blowout. An experimental program, the Transient Flow Combustion Study is in progress to study the effects of air and fuel flow transients on a premixed-prevaporized combustor. Preliminary tests performed at an inlet air temperature of 600 K, a reference velocity of 30 m/s, and a pressure of 700 kPa. The airflow was reduced to 1/3 of its original value in a 40 ms ramp before flashback occurred. Ramping the airflow up has shown that blowout is more sensitive than flashback to flow transients. Blowout occurred with a 25 percent increase in airflow (at a constant fuel-air ratio) in a 20 ms ramp. Combustion resonance was found at some conditions and may be important in determining the effects of flow transients.

  8. Nuclear explosives and hydrocarbons

    Energy Technology Data Exchange (ETDEWEB)

    Cohen, P

    1971-10-01

    A nuclear explosive 12 in. in diam and producing very little tritium is feasible in France. Such a device would be well adapted for contained nuclear explosions set off for the purpose of hydrocarbon storage or stimulation. The different aspects of setting off the explosive are reviewed. In the particular case of gas storage in a nuclear cavity in granite, it is demonstrated that the dose of irradiation received is extremely small. (18 refs.)

  9. Treatment of hydrocarbon oils

    Energy Technology Data Exchange (ETDEWEB)

    1936-02-22

    A process is described for refining a mixture of liquid hydrocarbons containing harmful substances, this process permitting the operation, which consists in treating the liquid mixture at a temperature higher than 200/sup 0/C with a solid catalyst of phosphoric acid, consisting of phosphoric acid deposited on a solid support of the type of metallurgical coke, for a time sufficient to convert the harmful components to inoffensive substances.

  10. Biogeochemistry of Halogenated Hydrocarbons

    Science.gov (United States)

    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

  11. Cracking hydrocarbon oils

    Energy Technology Data Exchange (ETDEWEB)

    Seigle, A A.F.M.

    1922-12-20

    Hydrocarbon oils such as petroleum, peat, shale, or lignite oils, heavy tars, resin oils, naphthalene oils, etc., are vaporized by being fed from a tank through a preheater to the lower part of a vertical annular retort heated by a flame projected down the central cavity from a burner. The oil vapors rise through annular passages formed by disks, on which are placed chips of copper, iron, aluminum, etc., to act as catalysts.

  12. High boiling point hydrocarbons

    Energy Technology Data Exchange (ETDEWEB)

    Pier, M

    1929-04-29

    A process is given for the production of hydrocarbons of high boiling point, such as lubricating oils, from bituminous substances, such as varieties of coal, shale, or other solid distillable carbonaceous materials. The process consists of treating the initial materials with organic solvents and then subjecting the products extracted from the initial materials, preferably directly, to a reducing treatment in respect to temperature, pressure, and time. The reduction treatment is performed by means of hydrogen under pressure.

  13. Direct hydrocarbon fuel cells

    Science.gov (United States)

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

    2010-05-04

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

  14. Combustion and regulation; Combustion et reglementation

    Energy Technology Data Exchange (ETDEWEB)

    NONE

    1997-12-31

    This conference was organized after the publication of the French by-law no 2010 relative to combustion installations and to the abatement of atmospheric pollution. Five topics were discussed during the conference: the new regulations, their content, innovations and modalities of application; the means of energy suppliers to face the new provisions and their schedule; the manufacturers proposals for existing installations and the new equipments; the administration control; and the impact of the new measures on exploitation and engineering. Twenty papers and 2 journal articles are reported in these proceedings. (J.S.)

  15. A Computational Fluid Dynamics Study of Turbulence, Radiation, and Combustion Models for Natural Gas Combustion Burner

    Directory of Open Access Journals (Sweden)

    Yik Siang Pang

    2018-01-01

    Full Text Available This paper presents a Computational Fluid Dynamics (CFD study of a natural gas combustion burner focusing on the effect of combustion, thermal radiation and turbulence models on the temperature and chemical species concentration fields. The combustion was modelled using the finite rate/eddy dissipation (FR/EDM and partially premixed flame models. Detailed chemistry kinetics CHEMKIN GRI-MECH 3.0 consisting of 325 reactions was employed to model the methane combustion. Discrete ordinates (DO and spherical harmonics (P1 model were employed to predict the thermal radiation. The gas absorption coefficient dependence on the wavelength is resolved by the weighted-sum-of-gray-gases model (WSGGM. Turbulence flow was simulated using Reynolds-averaged Navier-Stokes (RANS based models. The findings showed that a combination of partially premixed flame, P1 and standard k-ε (SKE gave the most accurate prediction with an average deviation of around 7.8% of combustion temperature and 15.5% for reactant composition (methane and oxygen. The results show the multi-step chemistry in the partially premixed model is more accurate than the two-step FR/EDM. Meanwhile, inclusion of thermal radiation has a minor effect on the heat transfer and species concentration. SKE turbulence model yielded better prediction compared to the realizable k-ε (RKE and renormalized k-ε (RNG. The CFD simulation presented in this work may serve as a useful tool to evaluate a performance of a natural gas combustor. Copyright © 2018 BCREC Group. All rights reserved Received: 26th July 2017; Revised: 9th October 2017; Accepted: 30th October 2017; Available online: 22nd January 2018; Published regularly: 2nd April 2018 How to Cite: Pang, Y.S., Law, W.P., Pung, K.Q., Gimbun, J. (2018. A Computational Fluid Dynamics Study of Turbulence, Radiation, and Combustion Models for Natural Gas Combustion Burner. Bulletin of Chemical Reaction Engineering & Catalysis, 13 (1: 155-169 (doi:10.9767/bcrec

  16. Catalytic combustion for the elimination of methane, BTEX and other VOC : IV

    International Nuclear Information System (INIS)

    Hayes, R.E.; Wanke, S.E.

    2008-01-01

    Options for volatile organic compound combustion include homogeneous combustion (flaring) or catalytic combustion involving a flameless combustion process that uses a solid catalyst to promote the combustion reaction. This presentation discussed relative reactivity testing for volatile organic compounds (VOCs) over commercial catalysts. Several commercial pad catalysts were tested, as well as other powders. The relative reactivity of methane as well as benzene, toluene, ethylbenzene, and xylene (BTEX) were investigated. The purpose of the project was to evaluate combustion of concentrated methane streams that contained BTEX compounds; evaluate catalytic combustion using a counter diffusive radiant heater; develop mathematical models for the reactor to enhance design and understanding; improve the catalyst for BTEX combustion; and target application-dehydrator units. Topics that were addressed in the presentation included methane and benzene conversion; catalytic radiant heaters; small industrial and commercial units; measured temperature distribution; fuel slippage, methane conversion; the effect of water and hydrocarbons; the effect of water-liquid injection; and water addition as vapour. Several observations were offered, including that high percentages of injected liquid water can reduce reactor operating temperature; combustion of BTEX remained highly efficient, however liquid injection could also cause temperature reductions and ultimately the reactor would extinguish; and pre-heating the feed can eliminate the temperature drop and pad wetness problem. It was concluded that BTEX compounds are reactive, and the technology appears promising. 19 figs

  17. Catalytic combustion for the elimination of methane, BTEX and other VOC : IV

    Energy Technology Data Exchange (ETDEWEB)

    Hayes, R.E.; Wanke, S.E. [Alberta Univ., Edmonton, AB (Canada). Dept. of Chemical and Materials Engineering

    2008-07-01

    Options for volatile organic compound combustion include homogeneous combustion (flaring) or catalytic combustion involving a flameless combustion process that uses a solid catalyst to promote the combustion reaction. This presentation discussed relative reactivity testing for volatile organic compounds (VOCs) over commercial catalysts. Several commercial pad catalysts were tested, as well as other powders. The relative reactivity of methane as well as benzene, toluene, ethylbenzene, and xylene (BTEX) were investigated. The purpose of the project was to evaluate combustion of concentrated methane streams that contained BTEX compounds; evaluate catalytic combustion using a counter diffusive radiant heater; develop mathematical models for the reactor to enhance design and understanding; improve the catalyst for BTEX combustion; and target application-dehydrator units. Topics that were addressed in the presentation included methane and benzene conversion; catalytic radiant heaters; small industrial and commercial units; measured temperature distribution; fuel slippage, methane conversion; the effect of water and hydrocarbons; the effect of water-liquid injection; and water addition as vapour. Several observations were offered, including that high percentages of injected liquid water can reduce reactor operating temperature; combustion of BTEX remained highly efficient, however liquid injection could also cause temperature reductions and ultimately the reactor would extinguish; and pre-heating the feed can eliminate the temperature drop and pad wetness problem. It was concluded that BTEX compounds are reactive, and the technology appears promising. 19 figs.

  18. Natural and anthropogenic hydrocarbon inputs to sediments of Patos Lagoon Estuary, Brazil.

    Science.gov (United States)

    Medeiros, Patricia Matheus; Bícego, Márcia Caruso; Castelao, Renato Menezes; Del Rosso, Clarissa; Fillmann, Gilberto; Zamboni, Ademilson Josemar

    2005-01-01

    The Patos Lagoon Estuary, southern Brazil, is an area of environmental interest not only because of tourism, but also because of the presence of the second major port of Brazil, with the related industrial and shipping activities. Thus, potential hydrocarbon pollution was examined in this study. Sediment samples were collected at 10 sites in the estuary, extracted, and analyzed by GC-FID and GC-MS for composition and concentration of the following organic geochemical markers: normal and isoprenoid alkanes, petroleum biomarkers, linear alkylbenzenes (LABs), and polycyclic aromatic hydrocarbons (PAHs). The total concentrations varied from 1.1 to 129.6 microg g(-1) for aliphatic hydrocarbons, from 17.8 to 4510.6 ng g(-1) for petroleum biomarkers, from 3.2 to 1601.9 ng g(-1) for LABs, and from 37.7 to 11,779.9 ng g(-1) for PAHs. Natural hydrocarbons were mainly derived from planktonic inputs due to a usual development of blooms in the estuary. Terrestrial plant wax compounds prevailed at sites located far from Rio Grande City and subject to stronger currents. Anthropogenic hydrocarbons are related to combustion/pyrolysis processes of fossil fuel, release of unburned oil products and domestic/industrial waste outfalls. Anthropogenic hydrocarbon inputs were more apparent at sites associated with industrial discharges (petroleum distributor and refinery), shipping activities (dry docking), and sewage outfalls (sewage). The overall concentrations of anthropogenic hydrocarbons revealed moderate to high hydrocarbon pollution in the study area.

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

    Science.gov (United States)

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

    2013-04-02

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

  20. Optical Tomography in Combustion

    DEFF Research Database (Denmark)

    Evseev, Vadim

    spectral measurements at several line-of-sights with a view to applications for tomographic measurements on full-scale industrial combustion systems. The system was successfully applied on industrial scale for simultaneous fast exhaust gas temperature measurements in the three optical ports of the exhaust......D project, it was also important to investigate the spectral properties of major combustion species such as carbon dioxide and carbon monoxide in the infrared range at high temperatures to provide the theoretical background for the development of the optical tomography methods. The new software....... JQSRT 113 (2012) 2222, 10.1016/j.jqsrt.2012.07.015] included in the PhD thesis as an attachment. The knowledge and experience gained in the PhD project is the first important step towards introducing the advanced optical tomography methods of combustion diagnostics developed in the project to future...

  1. Internal combustion engine

    Science.gov (United States)

    Baker, Quentin A.; Mecredy, Henry E.; O'Neal, Glenn B.

    1991-01-01

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

  2. Chemistry and physics

    International Nuclear Information System (INIS)

    Broerse, J.J.; Barendsen, G.W.; Kal, H.B.; Kogel, A.J. van der

    1983-01-01

    This book contains the extended abstracts of the contributions of the poster workshop sessions on chemistry and physics of the 7th international congress of radiation research. They cover the following main topics: primary processes in radiation physics and chemistry, general chemistry in radiation chemistry, DNA and model systems in radiation chemistry, molecules of biological interest in radiation chemistry, techniques in radiation chemistry, hot atom chemistry. refs.; figs.; tabs

  3. Fine chemistry

    International Nuclear Information System (INIS)

    Laszlo, P.

    1988-01-01

    The 1988 progress report of the Fine Chemistry laboratory (Polytechnic School, France) is presented. The research programs are centered on the renewal of the organic chemistry most important reactions and on the invention of new, highly efficient and highly selective reactions, by applying low cost reagents and solvents. An important research domain concerns the study and fabrication of new catalysts. They are obtained by means of the reactive sputtering of the metals and metal oxydes thin films. The Monte Carlo simulations of the long-range electrostatic interaction in a clay and the obtention of acrylamides from anhydrous or acrylic ester are summarized. Moreover, the results obtained in the field of catalysis are also given. The published papers and the congress communications are included [fr

  4. Fundamental characterization of alternate fuel effects in continuous combustion systems

    Energy Technology Data Exchange (ETDEWEB)

    Blazowski, W.S.; Edelman, R.B.; Harsha, P.T.

    1978-09-11

    The overall objective of this contract is to assist in the development of fuel-flexible combustion systems for gas turbines as well as Rankine and Stirling cycle engines. The primary emphasis of the program is on liquid hydrocarbons produced from non-petroleum resouces. Fuel-flexible combustion systems will provide for more rapid transition of these alternate fuels into important future energy utilization centers (especially utility power generation with the combined cycle gas turbine). The specific technical objectives of the program are to develop an improved understanding of relationships between alternate fuel properties and continuous combustion system effects, and to provide analytical modeling/correlation capabilities to be used as design aids for development of fuel-tolerant combustion systems. Efforts this past year have been to evaluate experimental procedures for studying alternate fuel combustion effects and to determine current analytical capabilities for prediction of these effects. Jet Stirred Combustor studies during this period have produced new insights into soot formation in strongly backmixed systems and have provided much information for comparison with analytical predictions. The analytical effort included new applications of quasi-global modeling techniques as well as comparison of prediction with the experimental results generated.

  5. Microjet burners for molecular-beam sources and combustion studies

    Science.gov (United States)

    Groeger, Wolfgang; Fenn, John B.

    1988-09-01

    A novel microjet burner is described in which combustion is stabilized by a hot wall. The scale is so small that the entire burner flow can be passed through a nozzle only 0.2 mm or less in diameter into an evacuated chamber to form a supersonic free jet with expansion so rapid that all collisional processes in the jet gas are frozen in a microsecond or less. This burner can be used to provide high-temperature source gas for free jet expansion to produce intense beams of internally hot molecules. A more immediate use would seem to be in the analysis of combustion products and perhaps intermediates by various kinds of spectroscopies without some of the perturbation effects encountered in probe sampling of flames and other types of combustion devices. As an example of the latter application of this new tool, we present infrared emission spectra for jet gas obtained from the combustion of oxygen-hydrocarbon mixtures both fuel-rich and fuel-lean operation. In addition, we show results obtained by mass spectrometric analysis of the combustion products.

  6. Fuel and combustion stratification study of Partially Premixed Combustion

    OpenAIRE

    Izadi Najafabadi, M.; Dam, N.; Somers, B.; Johansson, B.

    2016-01-01

    Relatively high levels of stratification is one of the main advantages of Partially Premixed Combustion (PPC) over the Homogeneous Charge Compression Ignition (HCCI) concept. Fuel stratification smoothens heat release and improves controllability of this kind of combustion. However, the lack of a clear definition of “fuel and combustion stratifications” is obvious in literature. Hence, it is difficult to compare stratification levels of different PPC strategies or other combustion concepts. T...

  7. Radioanalytical chemistry

    International Nuclear Information System (INIS)

    1982-01-01

    The bibliography of Hungarian literature in the field of radioanalytical chemistry covers the four-year period 1976-1979. The list of papers contains 290 references in the alphabetical order of the first authors. The majority of the titles belongs to neutron activation analysis, labelling, separation and determination of radioactive isotopes. Other important fields like radioimmunoassay, environmental protection etc. are covered as well. (Sz.J.)

  8. Analytical chemistry

    International Nuclear Information System (INIS)

    Anon.

    1985-01-01

    The division for Analytical Chemistry continued to try and develope an accurate method for the separation of trace amounts from mixtures which, contain various other elements. Ion exchange chromatography is of special importance in this regard. New separation techniques were tried on certain trace amounts in South African standard rock materials and special ceramics. Methods were also tested for the separation of carrier-free radioisotopes from irradiated cyclotron discs

  9. Emulsified fuels. Its use in stationary sources; Combustibles emulsionados. Su utilizacion en fuentes estacionarias

    Energy Technology Data Exchange (ETDEWEB)

    Campos Morales, Gilberto; Magdaleno Molina, Moises; Vargas Y, Victor M; Gavira D, A [Instituto Mexicano del Petroleo, Mexico, D. F. (Mexico)

    1993-12-31

    Basic aspects are set forth of the heavy hydrocarbon fuels, the principles, preparation and particularities of the combustion with emulsions, that currently represent one option, either by themselves or in combination with other technologies to utilize heavy hydrocarbons, obtaining advantages in the reduction of polluting emissions, particulate matter and NOx, which allow continuing operating the operation within the limits established by the technical ecological standards. [Espanol] Se exponen aspectos basicos de los combustibles de hidrocarburos pesados (HC), los principios, preparacion y particularidades de la combustion con emulsiones, que actualmente representan una alternativa por si solos o en combinacion con otras tecnologias para utilizar hidrocarburos pesados, obteniendose ventajas en la reduccion de emisiones de contaminantes de particulas y NOx, lo cual permite continuar operando dentro de los limites que establecen las normas tecnicas ecologicas.

  10. Emulsified fuels. Its use in stationary sources; Combustibles emulsionados. Su utilizacion en fuentes estacionarias

    Energy Technology Data Exchange (ETDEWEB)

    Campos Morales, Gilberto; Magdaleno Molina, Moises; Vargas Y, Victor M.; Gavira D, A. [Instituto Mexicano del Petroleo, Mexico, D. F. (Mexico)

    1992-12-31

    Basic aspects are set forth of the heavy hydrocarbon fuels, the principles, preparation and particularities of the combustion with emulsions, that currently represent one option, either by themselves or in combination with other technologies to utilize heavy hydrocarbons, obtaining advantages in the reduction of polluting emissions, particulate matter and NOx, which allow continuing operating the operation within the limits established by the technical ecological standards. [Espanol] Se exponen aspectos basicos de los combustibles de hidrocarburos pesados (HC), los principios, preparacion y particularidades de la combustion con emulsiones, que actualmente representan una alternativa por si solos o en combinacion con otras tecnologias para utilizar hidrocarburos pesados, obteniendose ventajas en la reduccion de emisiones de contaminantes de particulas y NOx, lo cual permite continuar operando dentro de los limites que establecen las normas tecnicas ecologicas.

  11. Effects of non-thermal plasmas and electric field on hydrocarbon/air flames

    Science.gov (United States)

    Ganguly, Biswa

    2009-10-01

    Need to improve fuel efficiency, and reduce emission from hydrocarbon combustor in automotive and gas turbine engines have reinvigorated interest in reducing combustion instability of a lean flame. The heat generation rate in a binary reaction is HQ =N^2 c1c2 Q exp(-E/RT), where N is the density, c1 and c2 are mol fractions of the reactants, Q is the reaction heat release, E is the activation energy, R is the gas constant and T is the average temperature. For hydrocarbon-air reactions, the typical value of E/R ˜20, so most heat release reactions are confined to a thin reaction sheet at T >=1400 K. The lean flame burning condition is susceptible to combustion instability due to a critical balance between heat generation and heat loss rates, especially at high gas flow rate. Radical injection can increase flame speed by reducing the hydrocarbon oxidation reaction activation barrier and it can improve flame stability. Advances in nonequilibrium plasma generation at high pressure have prompted its application for energy efficient radical production to enhance hydrocarbon-air combustion. Dielectric barrier discharges and short pulse excited corona discharges have been used to enhance combustion stability. Direct electron impact dissociation of hydrocarbon and O2 produces radicals with lower fuel oxidation reaction activation barriers, initiating heat release reaction CnHm+O CnHm-1+ OH (and other similar sets of reactions with partially dissociated fuel) below the typical cross-over temperature. Also, N2 (A) produced in air discharge at a moderate E/n can dissociate O2 leading to oxidation of fuel at lower gas temperature. Low activation energy reactions are also possible by dissociation of hydrocarbon CnHm+e -> CnHm-2+H2+e, where a chain propagation reaction H2+ O OH+H can be initiated at lower gas temperature than possible under thermal equilibrium kinetics. Most of heat release comes from the reaction CO+OH-> CO2 +H, nonthermal OH production seem to improve

  12. Industrial chemistry engineering

    International Nuclear Information System (INIS)

    1993-01-01

    This book on industrial chemistry engineering is divided in two parts. The first part deals with industrial chemistry, inorganic industrial chemistry, organic industrial chemistry, analytical chemistry and practical questions. The last parts explain the chemical industry, a unit parts and thermodynamics in chemical industry and reference. It reveals the test subjects for the industrial chemistry engineering with a written examination and practical skill.

  13. Computational chemistry

    Science.gov (United States)

    Arnold, J. O.

    1987-01-01

    With the advent of supercomputers, modern computational chemistry algorithms and codes, a powerful tool was created to help fill NASA's continuing need for information on the properties of matter in hostile or unusual environments. Computational resources provided under the National Aerodynamics Simulator (NAS) program were a cornerstone for recent advancements in this field. Properties of gases, materials, and their interactions can be determined from solutions of the governing equations. In the case of gases, for example, radiative transition probabilites per particle, bond-dissociation energies, and rates of simple chemical reactions can be determined computationally as reliably as from experiment. The data are proving to be quite valuable in providing inputs to real-gas flow simulation codes used to compute aerothermodynamic loads on NASA's aeroassist orbital transfer vehicles and a host of problems related to the National Aerospace Plane Program. Although more approximate, similar solutions can be obtained for ensembles of atoms simulating small particles of materials with and without the presence of gases. Computational chemistry has application in studying catalysis, properties of polymers, all of interest to various NASA missions, including those previously mentioned. In addition to discussing these applications of computational chemistry within NASA, the governing equations and the need for supercomputers for their solution is outlined.

  14. Green chemistry

    International Nuclear Information System (INIS)

    Warner, John C.; Cannon, Amy S.; Dye, Kevin M.

    2004-01-01

    A grand challenge facing government, industry, and academia in the relationship of our technological society to the environment is reinventing the use of materials. To address this challenge, collaboration from an interdisciplinary group of stakeholders will be necessary. Traditionally, the approach to risk management of materials and chemicals has been through inerventions intended to reduce exposure to materials that are hazardous to health and the environment. In 1990, the Pollution Prevention Act encouraged a new tact-elimination of hazards at the source. An emerging approach to this grand challenge seeks to embed the diverse set of environmental perspectives and interests in the everyday practice of the people most responsible for using and creating new materials--chemists. The approach, which has come to be known as Green Chemistry, intends to eliminate intrinsic hazard itself, rather than focusing on reducing risk by minimizing exposure. This chapter addresses the representation of downstream environmental stakeholder interests in the upstream everyday practice that is reinventing chemistry and its material inputs, products, and waste as described in the '12 Principles of Green Chemistry'

  15. Aerosols from biomass combustion

    Energy Technology Data Exchange (ETDEWEB)

    Nussbaumer, T

    2001-07-01

    This report is the proceedings of a seminar on biomass combustion and aerosol production organised jointly by the International Energy Agency's (IEA) Task 32 on bio energy and the Swiss Federal Office of Energy (SFOE). This collection of 16 papers discusses the production of aerosols and fine particles by the burning of biomass and their effects. Expert knowledge on the environmental impact of aerosols, formation mechanisms, measurement technologies, methods of analysis and measures to be taken to reduce such emissions is presented. The seminar, visited by 50 participants from 11 countries, shows, according to the authors, that the reduction of aerosol emissions resulting from biomass combustion will remain a challenge for the future.

  16. High Gravity (g) Combustion

    Science.gov (United States)

    2006-02-01

    UNICORN (Unsteady Ignition and Combustion with Reactions) code10. Flame propagation in a tube that is 50-mm wide and 1000-mm long (similar to that...turbine engine manufacturers, estimating the primary zone space heating rate. Both combustion systems, from Company A and Company B, required a much...MBTU/atm-hr-ft3) Te m pe ra tu re R is e (K ) dP/P = 2% dP/P = 2.5% dP/P = 3% dP/P = 3.5% dP/P = 4% Company A Company B Figure 13: Heat Release Rate

  17. Combustibility of tetraphenylborate solids

    International Nuclear Information System (INIS)

    Walker, D.D.

    1989-01-01

    Liquid slurries expected under normal in-tank processing (ITP) operations are not ignitible because of their high water content. However, deposits of dry solids from the slurries are combustible and produce dense, black smoke when burned. The dry solids burn similarly to Styrofoam and more easily than sawdust. It is the opinion of fire hazard experts that a benzene vapor deflagration could ignite the dry solids. A tetraphenylborate solids fire will rapidly plug the waste tank HEPA ventilation filters due to the nature of the smoke produced. To prevent ignition and combustion of these solids, the waste tanks have been equipped with a nitrogen inerting system

  18. Combustion kinetics and reaction pathways

    Energy Technology Data Exchange (ETDEWEB)

    Klemm, R.B.; Sutherland, J.W. [Brookhaven National Laboratory, Upton, NY (United States)

    1993-12-01

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

  19. Combustion stratification for naphtha from CI combustion to PPC

    NARCIS (Netherlands)

    Vallinayagam, R.; Vedharaj, S.; An, Y.; Dawood, A.; Izadi Najafabadi, M.; Somers, L.M.T.; Johansson, B.H.

    2017-01-01

    This study demonstrated the change in combustion homogeneity from conventional diesel combustion via partially premixed combustion towards HCCI. Experiments are performed in an optical diesel engine at a speed of 1200 rpm with diesel fuel. Single injection strategy is employed and the fuel is

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

    Science.gov (United States)

    Das, Soumyajit; Wu, Jishan

    2015-12-04

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

  1. Toxicology of Biodiesel Combustion products

    Science.gov (United States)

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

  2. THE ADVANCED CHEMISTRY BASINS PROJECT

    Energy Technology Data Exchange (ETDEWEB)

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

    2004-04-05

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

  3. Chemistry in Titan

    Science.gov (United States)

    Plessis, S.; Carrasco, N.; Pernot, P.

    2009-04-01

    Modelling the chemical composition of Titan's ionosphere is a very challenging issue. Latest works perform either inversion of CASSINI's INMS mass spectra (neutral[1] or ion[2]), or design coupled ion-neutral chemistry models[3]. Coupling ionic and neutral chemistry has been reported to be an essential feature of accurate modelling[3]. Electron Dissociative Recombination (EDR), where free electrons recombine with positive ions to produce neutral species, is a key component of ion-neutral coupling. There is a major difficulty in EDR modelling: for heavy ions, the distribution of neutral products is incompletely characterized by experiments. For instance, for some hydrocarbon ions only the carbon repartition is measured, leaving the hydrogen repartition and thus the exact neutral species identity unknown[4]. This precludes reliable deterministic modelling of this process and of ion-neutral coupling. We propose a novel stochastic description of the EDR chemical reactions which enables efficient representation and simulation of the partial experimental knowledge. The description of products distribution in multi-pathways reactions is based on branching ratios, which should sum to unity. The keystone of our approach is the design of a probability density function accounting for all available informations and physical constrains. This is done by Dirichlet modelling which enables one to sample random variables whose sum is constant[5]. The specifics of EDR partial uncertainty call for a hierarchiral Dirichlet representation, which generalizes our previous work[5]. We present results on the importance of ion-neutral coupling based on our stochastic model. C repartition H repartition (measured) (unknown ) → C4H2 + 3H2 + H .. -→ C4 . → C4H2 + 7H → C3H8. + CH C4H+9 + e- -→ C3 + C .. → C3H3 + CH2 + 2H2 → C2H6 + C2H2 + H .. -→ C2 + C2 . → 2C2H2 + 2H2 + H (1) References [1] J. Cui, R.V. Yelle, V. Vuitton, J.H. Waite Jr., W.T. Kasprzak

  4. Study on Characteristics of Co-firing Ammonia/Methane Fuels under Oxygen Enriched Combustion Conditions

    Science.gov (United States)

    Xiao, Hua; Wang, Zhaolin; Valera-Medina, Agustin; Bowen, Philip J.

    2018-06-01

    Having a background of utilising ammonia as an alternative fuel for power generation, exploring the feasibility of co-firing ammonia with methane is proposed to use ammonia to substitute conventional natural gas. However, improvement of the combustion of such fuels can be achieved using conditions that enable an increase of oxygenation, thus fomenting the combustion process of a slower reactive molecule as ammonia. Therefore, the present study looks at oxygen enriched combustion technologies, a proposed concept to improve the performance of ammonia/methane combustion. To investigate the characteristics of ammonia/methane combustion under oxygen enriched conditions, adiabatic burning velocity and burner stabilized laminar flame emissions were studied. Simulation results show that the oxygen enriched method can help to significantly enhance the propagation of ammonia/methane combustion without changing the emission level, which would be quite promising for the design of systems using this fuel for practical applications. Furthermore, to produce low computational-cost flame chemistry for detailed numerical analyses for future combustion studies, three reduced combustion mechanisms of the well-known Konnov's mechanism were compared in ammonia/methane flame simulations under practical gas turbine combustor conditions. Results show that the reduced reaction mechanisms can provide good results for further analyses of oxygen enriched combustion of ammonia/methane. The results obtained in this study also allow gas turbine designers and modellers to choose the most suitable mechanism for further combustion studies and development.

  5. Underground treatment of combustible minerals

    Energy Technology Data Exchange (ETDEWEB)

    Sarapuu, E

    1954-10-14

    A process is described for treating oil underground, consisting in introducing several electrodes spaced one from the other in a bed of combustibles underground so that they come in electric contact with this bed of combustibles remaining insulated from the ground, and applying to the electrodes a voltage sufficient to produce an electric current across the bed of combustibles, so as to heat it and create an electric connection between the electrodes on traversing the bed of combustibles.

  6. Measuring Trace Hydrocarbons in Silanes

    Science.gov (United States)

    Lesser, L. A.

    1984-01-01

    Technique rapid and uses standard analytical equipment. Silane gas containing traces of hydrocarbons injected into carrier gas of moist nitrogen having about 0.2 percent water vapor. Carrier, water and silane pass through short column packed with powdered sodium hydroxide which combines moisture and silane to form nonvolatile sodium silicate. Carrier gas free of silane but containing nonreactive hydrocarbons, pass to silica-gel column where chromatographic separation takes place. Hydrocarbons measured by FID.

  7. Biological activity of a leached chernozem contaminated with the products of combustion of petroleum gas and its restoration upon phytoremediation

    Science.gov (United States)

    Kireeva, N. A.; Novoselova, E. I.; Shamaeva, A. A.; Grigoriadi, A. S.

    2009-04-01

    It is shown that contamination of leached chernozems by combustion products of petroleum gas favors changes in the biological activity of the soil: the number of hydrocarbon-oxidizing bacteria and micromycetes has increased, as well as the activity of catalase and lipase and phytotoxicity. Bromopsis inermis Leys used as a phytoameliorant has accelerated the destruction of hydrocarbons in the rhizosphere. The benzpyrene concentration in plants on contaminated soils considerably exceeds its background concentration.

  8. Modeling of air toxics from hydrocarbon pool fires

    International Nuclear Information System (INIS)

    Harvey, K.A.; Aydil, M.L.; Barone, J.B.

    1996-01-01

    While there is guidance for estimating the radiation hazards of fires (ARCHIE), there is little guidance on modeling the dispersion of hazardous materials from fires. The objective of this paper is to provide a review of the methodology used for modeling the impacts of liquid hydrocarbon pool fires. The required input variables for modeling of hydrocarbon pool fires include emission strength, emission duration, and dispersion characteristics. Methods for predicting the products of combustion including the use of literature values, test data, and thermodynamic equilibrium calculations are discussed. The use of energy balances coupled to radiative heat transfer calculations are presented as a method for determining flame temperature. Fire modeling literature is reviewed in order to determine other source release variables such as mass burn rate and duration and flame geometry

  9. Fractional separation of hydrocarbon vapours

    Energy Technology Data Exchange (ETDEWEB)

    1937-07-10

    A process is described for converting higher boiling hydrocarbons to lower boiling hydrocarbons by subjecting them at elevated temperatures to a conversion operation, then separating the higher and lower boiling fractions. The separation takes place while the reaction products are maintained in the vapor phase by contact with a mass of solid porous material which has little or no catalytic activity but does have a preferential absorption property for higher boiling hydrocarbons so that the lower boiling part of the reaction products pass through the separation zone while the heavier hydrocarbons are retained. The separation is accomplished without substantial loss of heat of these reaction products.

  10. Supersonic Combustion Ramjet Research

    Science.gov (United States)

    2012-08-01

    was in collaboration with Prof. R. Bowersox (Texas A&M University) and Dr. K. Kobayashi ( Japanese Aerospace Exploration Agency, JAXA). 4.2 Ignition... cinema stereoscopic PIV system for the measurement of micro- and meso-scale turbulent premixed flame dynamics,” Paper B13, 5th US Combustion

  11. Combustible dust tests

    Science.gov (United States)

    The sugar dust explosion in Georgia on February 7, 2008 killed 14 workers and injured many others (OSHA, 2009). As a consequence of this explosion, OSHA revised its Combustible Dust National Emphasis (NEP) program. The NEP targets 64 industries with more than 1,000 inspections and has found more tha...

  12. Formaldehyde, methanol and hydrocarbon emissions from methanol-fueled cars

    International Nuclear Information System (INIS)

    Williams, R.L.; Lipari, F.; Potter, R.A.

    1990-01-01

    Exhaust and evaporative emissions tests were conducted on several methanol- and gasoline-fueled vehicles. Separate samples for chromatographic analysis of formaldehyde, methanol, and individual hydrocarbons were collected in each of the three phases of the driving cycle and in each of the two portions of the evaporative emissions test. One vehicle, equipped with an experimental variable-fuel engine, was tested using methanol/gasoline fuel mixtures of 100, 85, 50, 15, and 0 percent methanol. Combustion-generated hydrocarbons were lowest using methanol fuel, and increased several-fold as the gasoline fraction was increased. Gasoline components in the exhaust increased from zero as the gasoline fraction of the fuel was increased. On the other hand, formaldehyde emissions were several times higher using methanol fuel than they were using gasoline. A dedicated methanol car and the variable-fuel car gave similar emissions patterns when they both were tested using methanol fuel. The organic-carbon composition of the exhaust was 85-90 percent methanol, 5-7 percent formaldehyde, and 3-9 percent hydrocarbons. Several cars that were tested using gasoline emitted similar distributions of hydrocarbons, even through the vehicles represented a broad range of current and developmental engine families and emissions control systems

  13. Ablation in the slit in combustion

    Science.gov (United States)

    Tairova, A. A.; Belyakov, G. V.; Chervinchuk, S. Yu.

    2017-12-01

    The understanding of the patterns of the front of exothermic reaction propagation in permeable media is necessary for a correct description of both natural and technological processes. The study of mechanisms of combustion and filtration flow in the slit consists in determining the conditions of propagation of melting waves and evaporation in a cocurrent gas flow as well the associated mass loss of the surface material. This paper presents the heat flow effect on the hydrocarbon reservoir model. The poly methyl methacrylate with the boiling point Tboil = 200°C and sublimation heat ΔHsubl = 40.29 kJ/mol was chosen as the model of the hydrocarbon layer, which on heating becomes liquid and gaseous (ethers and methyl methacrylate pairs). Heated gas flows along the slit preliminary created. The flow was maintained by a pump. The gas burner was installed at the entrance to the slit. The heat flow was constant. The impulse of gas flow and the mass loss of the material from the surface of the gap were continuously measured with scales. The pressure in the flow was controlled by the manometer.

  14. Kinetics of in situ combustion. SUPRI TR 91

    Energy Technology Data Exchange (ETDEWEB)

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

    1993-07-01

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

  15. CFD Modeling of Fuel Injection and Combustion in an HDDI Engine

    Energy Technology Data Exchange (ETDEWEB)

    Rijk, E.

    2009-07-01

    Siebers concerning liquid length are 12% and 4.5%, respectively. Prediction by Star-CD of fuel penetration is very accurate and performs better compared to the used non-Lagrangian models. The next step in this study is the validation of the hypothesis that emissions of unburnt hydrocarbons (UHC) in engines operating in the Early Direct Injection (EDI) Premixed Charge Compression Ignition (PCCI) regime are mainly caused by the impingement of liquid fuel on the cylinder wall, called wall-wetting. Therefore a dynamic mesh is created in Star-CD, representing a compressing and expanding piston. Fuel is injected at different points in the engine cycle and the calculated amount of wall-wetting is compared with the associated measured amount of UHC emissions. From this comparison, it can be concluded that if conventional DI nozzles are used, wall-wetting is the primary cause for UHC emissions. Because other phenomena can be responsible for these emissions as well, further research is necessary to determine the exact contribution of these phenomena. After diesel spray formation is modeled accurately, the HDDI engine cycle is extended with modeling of combustion. To do so, the Flamelet Generated Manifold (FGM) method is applied. This is a detailed tabulated chemistry approach based on the flamelet concept, wherein both ignition and combustion are included. The manifold is preprocessed using igniting non-premixed flamelets. The species concentrations, density, temperature etc. are stored as function of four control variables in a 4D look-up table. To investigate the interaction between Star-CD and FGM, it is first applied to a constant volume combustion case. From this case, it appears that the interaction works properly and the fuel ignites at the same location as observed in the associated experiment. Ignition delay however proved to be short, due to the used reduced reaction mechanism and interpolation routine. Finally, the FGM approach is used to simulate combustion in an HDDI

  16. Optimal Bayesian Experimental Design for Combustion Kinetics

    KAUST Repository

    Huan, Xun

    2011-01-04

    Experimental diagnostics play an essential role in the development and refinement of chemical kinetic models, whether for the combustion of common complex hydrocarbons or of emerging alternative fuels. Questions of experimental design—e.g., which variables or species to interrogate, at what resolution and under what conditions—are extremely important in this context, particularly when experimental resources are limited. This paper attempts to answer such questions in a rigorous and systematic way. We propose a Bayesian framework for optimal experimental design with nonlinear simulation-based models. While the framework is broadly applicable, we use it to infer rate parameters in a combustion system with detailed kinetics. The framework introduces a utility function that reflects the expected information gain from a particular experiment. Straightforward evaluation (and maximization) of this utility function requires Monte Carlo sampling, which is infeasible with computationally intensive models. Instead, we construct a polynomial surrogate for the dependence of experimental observables on model parameters and design conditions, with the help of dimension-adaptive sparse quadrature. Results demonstrate the efficiency and accuracy of the surrogate, as well as the considerable effectiveness of the experimental design framework in choosing informative experimental conditions.

  17. Process for preparing hydrocarbons

    Energy Technology Data Exchange (ETDEWEB)

    Krauch, C; Anther, E; Pier, M

    1926-04-07

    A process is described for the conversion of coal of all kinds, wood, oil, shale, as well as other carbonaceous materials into liquid hydrocarbons in two steps, characterized by treatment of the coal and so forth with a stream of hydrogen or hydrogen-containing gases at raised temperatures and raised pressures and producing a tarry product which, after separation of the ashlike residue, is converted by a further treatment, in the presence of catalysts, with hydrogen or hydrogen-containing gases at raised temperature and pressure, largely into low-boiling products.

  18. Recovering valuable liquid hydrocarbons

    Energy Technology Data Exchange (ETDEWEB)

    Pier, M

    1931-06-11

    A process for recovering valuable liquid hydrocarbons from coking coal, mineral coal, or oil shale through treatment with hydrogen under pressure at elevated temperature is described. Catalysts and grinding oil may be used in the process if necessary. The process provides for deashing the coal prior to hydrogenation and for preventing the coking and swelling of the deashed material. During the treatment with hydrogen, the coal is either mixed with coal low in bituminous material, such as lean coal or active coal, as a diluent or the bituminous constituents which cause the coking and swelling are removed by extraction with solvents. (BLM)

  19. Hydrogen production from hydrocarbons

    Energy Technology Data Exchange (ETDEWEB)

    Docekal, J

    1986-01-01

    Hydrogen is an important feed stock for chemical and petroleum industries, in addition to being considered as the energy carrier of the future. At the present time the feed stock hydrogen is mainly manufactured from hydrocarbons using steam reforming. In steam reforming two processes are employed, the conventional process and PSA (pressure swing adsorption) process. These two processes are described and compared. The results show that the total costs and the maintenance costs are lower for the PSA process, the capital outlay is lower for the conventional process, and the operating costs are similar for the two processes.

  20. Heavy Lift Launch Capability with a New Hydrocarbon Engine

    Science.gov (United States)

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

    2011-01-01

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

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

    Science.gov (United States)

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

    2014-02-01

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

  2. Theoretical chemistry periodicities in chemistry and biology

    CERN Document Server

    Eyring, Henry

    1978-01-01

    Theoretical Chemistry: Periodicities in Chemistry and Biology, Volume 4 covers the aspects of theoretical chemistry. The book discusses the stably rotating patterns of reaction and diffusion; the chemistry of inorganic systems exhibiting nonmonotonic behavior; and population cycles. The text also describes the mathematical modeling of excitable media in neurobiology and chemistry; oscillating enzyme reactions; and oscillatory properties and excitability of the heart cell membrane. Selected topics from the theory of physico-chemical instabilities are also encompassed. Chemists, mechanical engin

  3. Solution chemistry

    Energy Technology Data Exchange (ETDEWEB)

    None

    1973-07-01

    Research progress is reported on studies in heavy element chemistry. Topics considered are: synergistic complexes of plutonyl ion; water uptake in synergistic systems; formation constants of some uranyl BETA -diketone complexes; thermodynamic acid dissociation constants of BETA -diketones; thermodynamic formation constants of uranyl BETA -diketonates; thiocyanate complexes of some trivalent lanthanides and actinides; stability constants of actinide complexes using dinonyl naphthalenesulfonic acid extraction; TBP extraction of actinides; stability constants of complexes of Pu(III) with 5- sulfosalicycllc acid; and solvent extraction behavior of Pu( VII). (DHM)

  4. Interstellar chemistry.

    Science.gov (United States)

    Klemperer, William

    2006-08-15

    In the past half century, radioastronomy has changed our perception and understanding of the universe. In this issue of PNAS, the molecular chemistry directly observed within the galaxy is discussed. For the most part, the description of the molecular transformations requires specific kinetic schemes rather than chemical thermodynamics. Ionization of the very abundant molecular hydrogen and atomic helium followed by their secondary reactions is discussed. The rich variety of organic species observed is a challenge for complete understanding. The role and nature of reactions involving grain surfaces as well as new spectroscopic observations of interstellar and circumstellar regions are topics presented in this special feature.

  5. Theoretical study of reaction dynamics in radiation chemistry

    International Nuclear Information System (INIS)

    Tachiya, Masanori

    2008-01-01

    The period from late 1950's to early 1970's was golden age of radiation chemistry. During this period the hydrated electron was discovered, various new phenomena were found in ionic processes in liquid hydrocarbons, and the trapped electron and electron tunneling were discovered in organic glasses. In those days radiation chemistry was a vast treasure-house of theoretical problems. We could find not only problems special to radiation chemistry but also many problems interesting as general physical chemistry. In this review I explain how some theoretical problems discovered in the field of radiation chemistry have evolved into those of general physical chemistry, with special emphasis on my own work. (author)

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

    Science.gov (United States)

    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.

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

    Science.gov (United States)

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

    2011-01-01

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

  8. Tabulated Combustion Model Development For Non-Premixed Flames

    Science.gov (United States)

    Kundu, Prithwish

    Turbulent non-premixed flames play a very important role in the field of engineering ranging from power generation to propulsion. The coupling of fluid mechanics and complicated combustion chemistry of fuels pose a challenge for the numerical modeling of these type of problems. Combustion modeling in Computational Fluid Dynamics (CFD) is one of the most important tools used for predictive modeling of complex systems and to understand the basic fundamentals of combustion. Traditional combustion models solve a transport equation of each species with a source term. In order to resolve the complex chemistry accurately it is important to include a large number of species. However, the computational cost is generally proportional to the cube of number of species. The presence of a large number of species in a flame makes the use of CFD computationally expensive and beyond reach for some applications or inaccurate when solved with simplified chemistry. For highly turbulent flows, it also becomes important to incorporate the effects of turbulence chemistry interaction (TCI). The aim of this work is to develop high fidelity combustion models based on the flamelet concept and to significantly advance the existing capabilities. A thorough investigation of existing models (Finite-rate chemistry and Representative Interactive Flamelet (RIF)) and comparative study of combustion models was done initially on a constant volume combustion chamber with diesel fuel injection. The CFD modeling was validated with experimental results and was also successfully applied to a single cylinder diesel engine. The effect of number of flamelets on the RIF model and flamelet initialization strategies were studied. The RIF model with multiple flamelets is computationally expensive and a model was proposed on the frame work of RIF. The new model was based on tabulated chemistry and incorporated TCI effects. A multidimensional tabulated chemistry database generation code was developed based on the 1

  9. Tailoring next-generation biofuels and their combustion in next-generation engines

    Energy Technology Data Exchange (ETDEWEB)

    Gladden, John Michael [Sandia National Lab. (SNL-NM), Albuquerque, NM (United States); Wu, Weihua [Sandia National Lab. (SNL-NM), Albuquerque, NM (United States); Taatjes, Craig A. [Sandia National Lab. (SNL-NM), Albuquerque, NM (United States); Scheer, Adam Michael [Sandia National Lab. (SNL-NM), Albuquerque, NM (United States); Turner, Kevin M. [Sandia National Lab. (SNL-NM), Albuquerque, NM (United States); Yu, Eizadora T. [Sandia National Lab. (SNL-NM), Albuquerque, NM (United States); O' Bryan, Greg [Sandia National Lab. (SNL-NM), Albuquerque, NM (United States); Powell, Amy Jo [Sandia National Lab. (SNL-NM), Albuquerque, NM (United States); Gao, Connie W. [Massachusetts Inst. of Technology (MIT), Cambridge, MA (United States)

    2013-11-01

    Increasing energy costs, the dependence on foreign oil supplies, and environmental concerns have emphasized the need to produce sustainable renewable fuels and chemicals. The strategy for producing next-generation biofuels must include efficient processes for biomass conversion to liquid fuels and the fuels must be compatible with current and future engines. Unfortunately, biofuel development generally takes place without any consideration of combustion characteristics, and combustion scientists typically measure biofuels properties without any feedback to the production design. We seek to optimize the fuel/engine system by bringing combustion performance, specifically for advanced next-generation engines, into the development of novel biosynthetic fuel pathways. Here we report an innovative coupling of combustion chemistry, from fundamentals to engine measurements, to the optimization of fuel production using metabolic engineering. We have established the necessary connections among the fundamental chemistry, engine science, and synthetic biology for fuel production, building a powerful framework for co-development of engines and biofuels.

  10. Chemistry with synchrotron radiation

    International Nuclear Information System (INIS)

    Preses, J.; Grover, J.R.; White, M.G.; Kvick, A.

    1990-01-01

    An accidental by-product of high-energy physics, synchrotron radiation, has emerged as one of the most powerful tools for the understanding of chemical reactions. Advances made by using synchrotron radiation in physical chemistry are reviewed herein. Descriptions of experiments exploiting the many ways that synchrotron radiation can be manipulated are presented. These manipulations include intensification of the radiation and compression or shifting of its spectral structure. Combinations of the use of synchrotron radiation, which provides access to very short wavelengths and is, at the same time, continuously and easily tunable, with laser radiation, which offers much higher resolution and much more intense radiation per pulse, but is difficult to tune in the ultraviolet region of the spectra, gives the chemist a way to map a molecule's potential energy curve, to note the lengths and strengths of chemical bonds, and to predict and explain novel reactions of more complex molecules. The use of diffraction of x-rays to study the spacing of atoms in crystals is discussed. Various applications of synchrotron radiation to studies of the fluorescence of hydrocarbons and to the chiral dichroism studies of other natural products like DNA and RNA are described. Methods for enhancing synchrotron light sources by insertion devices, such as wigglers and undulators, that increase the available photo flux and construction of new sources of synchrotron radiation are mentioned

  11. Particulate and gaseous emissions from residential biomass combustion

    International Nuclear Information System (INIS)

    Boman, Christoffer

    2005-04-01

    Biomass is considered to be a sustainable energy source with significant potentials for replacing electricity and fossil fuels, not at least in the residential sector. However, present wood combustion is a major source of ambient concentrations of hydrocarbons (e.g. VOC and PAH) and particulate matter (PM) and exposure to these pollutants have been associated with adverse health effects. Increased focus on combustion related particulate emissions has been seen concerning the formation, characteristics and implications to human health. Upgraded biomass fuels (e.g. pellets) provide possibilities of more controlled and optimized combustion with less emission of products of incomplete combustion (PICs). For air quality and health impact assessments, regulatory standards and evaluations concerning residential biomass combustion, there is still a need for detailed emission characterization and quantification when using different fuels and combustion techniques. This thesis summarizes the results from seven different papers. The overall objective was to carefully and systematically study the emissions from residential biomass combustion with respect to: i) experimental characterization and quantification, ii) influences of fuel, appliance and operational variables and iii) aspects of ash and trace element transformations and aerosol formation. Special concern in the work was on sampling, quantification and characterization of particulate emissions using different appliances, fuels and operating procedures. An initial review of health effects showed epidemiological evidence of potential adverse effect from wood smoke exposure. A robust whole flow dilution sampling set-up for residential biomass appliances was then designed, constructed and evaluated, and subsequently used in the following emission studies. Extensive quantifications and characterizations of particulate and gases emissions were performed for residential wood and pellet appliances. Emission factor ranges for

  12. Low emission internal combustion engine

    Science.gov (United States)

    Karaba, Albert M.

    1979-01-01

    A low emission, internal combustion compression ignition engine having a cylinder, a piston movable in the cylinder and a pre-combustion chamber communicating with the cylinder near the top thereof and in which low emissions of NO.sub.x are achieved by constructing the pre-combustion chamber to have a volume of between 70% and 85% of the combined pre-chamber and main combustion chamber volume when the piston is at top dead center and by variably controlling the initiation of fuel injection into the pre-combustion chamber.

  13. Ignition and combustion characteristics of metallized propellants

    Science.gov (United States)

    Turns, Stephen R.; Mueller, D. C.

    1993-01-01

    Experimental and analytical investigations focusing on secondary atomization and ignition characteristics of aluminum/liquid hydrocarbon slurry propellants were conducted. Experimental efforts included the application of a laser-based, two-color, forward-scatter technique to simultaneously measure free-flying slurry droplet diameters and velocities for droplet diameters in the range of 10-200 microns. A multi-diffusion flame burner was used to create a high-temperature environment into which a dilute stream of slurry droplets could be introduced. Narrowband measurements of radiant emission were used to determine if ignition of the aluminum in the slurry droplet had occurred. Models of slurry droplet shell formation were applied to aluminum/liquid hydrocarbon propellants and used to ascertain the effects of solids loading and ultimate particle size on the minimum droplet diameter that will permit secondary atomization. For a 60 weight-percent Al slurry, the limiting critical diameter was predicted to be 34.7 microns which is somewhat greater than the 20-25 micron limiting diameters determined in the experiments. A previously developed model of aluminum ignition in a slurry droplet was applied to the present experiments and found to predict ignition times in reasonable agreement with experimental measurements. A model was also developed that predicts the mechanical stress in the droplet shell and a parametric study was conducted. A one-dimensional model of a slurry-fueled rocket combustion chamber was developed. This model includes the processes of liquid hydrocarbon burnout, secondary atomization, aluminum ignition, and aluminum combustion. Also included is a model for radiant heat transfer from the hot aluminum oxide particles to the chamber walls. Exercising this model shows that only a modest amount of secondary atomization is required to reduce residence times for aluminum burnout, and thereby maintain relatively short chamber lengths. The model also predicts

  14. Determination of polynuclear hydrocarbons

    Energy Technology Data Exchange (ETDEWEB)

    Lodge, Jr, J P

    1963-01-01

    At the present time, the method of choice for the determination of polynuclear hydrocarbons appears to be the following, (a) extraction of the benzene-soluble fraction from the gross collected particulate matter, (b) one pass through a chromatographic column of partially deactivated alumina, (c) spectral examination of the fractions and (d) the application of appropriate chemical tests as indicated by the previous step. Using this method, the presence of pyrene, fluoranthene, one of the benzofluorenes, chrysens, benz(a)anthracene, benzo(a)pyrene, benzo(e)pyrene, benzo(k)fluoranthene, anthanthrene, and coronene was demonstrated in the air of numerous American cities, and benzo(a)pyrene was measured at some 130 sites. Invaluable as such accurate determinations may be for research purposes, they are still too costly and time-consuming for routine survey purposes. While studies on the subject are by no means complete, they indicate the validity of piperonal chloride test as a general index of polycyclic hydrocarbons. This procedure is described in this paper. 7 references.

  15. Hydrocarbons: source of energy

    International Nuclear Information System (INIS)

    Imarisio, G.; Frias, M.; Bemtgen, J.M.

    1989-01-01

    Hydrocarbons are at present the single most important source of energy, since they are the most versatile and widely used. It is expected that their importance will extend well into the next century and therefore it is essential to provide for all those improvements which will extend their availability and usefulness. The sub-programme ''Optimization of the production and utilization of hydrocarbons'' (within the Non-Nuclear Energy R and D Programme of the European Communities) is pursuing a number of R and D topics aimed at the above-mentioned results. It is implemented by means of shared-cost R and D contracts. At this first Seminar held in Lyon (France) from 21-23 September, 1988, all contractors of the sub-programme presented the state of progress of their R and D projects. These proceedings comprise all the papers presented at the Seminar. The section on oilfield exploration includes a report of work on the interpretation of nuclear logs by means of mathematical models. (author)

  16. Vibrational Structure in Magnetic Circular Dichroism Spectra of Polycyclic Aromatic Hydrocarbons

    Czech Academy of Sciences Publication Activity Database

    Kaminský, Jakub; Chalupský, Jakub; Štěpánek, P.; Kříž, Jan; Bouř, Petr

    2017-01-01

    Roč. 121, č. 47 (2017), s. 9064-9073 ISSN 1089-5639 R&D Projects: GA ČR GA15-19143S; GA ČR(CZ) GA16-05935S; GA ČR(CZ) GA16-00270S Institutional support: RVO:61388963 Keywords : magnetic circular dichroism * polycyclic aromatic hydrocarbons * DFT Subject RIV: CF - Physical ; Theoretical Chemistry OBOR OECD: Physical chemistry Impact factor: 2.847, year: 2016

  17. Effect of Alternative Fuels on SCR Chemistry

    OpenAIRE

    Faramarzi, Simin

    2012-01-01

    In the time line of world industrial age, the most important era begins in the late 18th century when the use of fossil fuels was growing intensively. This approach has continued and developed up to the 20th century. Besides, this trend has had side effects like polluting environment. Air pollution is one of the critical issues nowadays that stems from using hydrocarbon fuels. One type of the problematic compounds in polluting air is nitrogen oxides that can be produced in combustion process ...

  18. Real-time combustion control and diagnostics sensor-pressure oscillation monitor

    Science.gov (United States)

    Chorpening, Benjamin T [Morgantown, WV; Thornton, Jimmy [Morgantown, WV; Huckaby, E David [Morgantown, WV; Richards, George A [Morgantown, WV

    2009-07-14

    An apparatus and method for monitoring and controlling the combustion process in a combustion system to determine the amplitude and/or frequencies of dynamic pressure oscillations during combustion. An electrode in communication with the combustion system senses hydrocarbon ions and/or electrons produced by the combustion process and calibration apparatus calibrates the relationship between the standard deviation of the current in the electrode and the amplitudes of the dynamic pressure oscillations by applying a substantially constant voltage between the electrode and ground resulting in a current in the electrode and by varying one or more of (1) the flow rate of the fuel, (2) the flow rate of the oxidant, (3) the equivalence ratio, (4) the acoustic tuning of the combustion system, and (5) the fuel distribution in the combustion chamber such that the amplitudes of the dynamic pressure oscillations in the combustion chamber are calculated as a function of the standard deviation of the electrode current. Thereafter, the supply of fuel and/or oxidant is varied to modify the dynamic pressure oscillations.

  19. Pt Combustion Catalysts Prepared from W/O Microemulsions

    Czech Academy of Sciences Publication Activity Database

    Rymeš, Jan; Ehret, G.; Hilaire, L.; Jirátová, Květa

    2002-01-01

    Roč. 143, - (2002), s. 121-129 ISSN 0167-2991. [International Symposium Scientific Bases for the Preparation of Heterogeneous Catalysts /8./. Louvain-la-Neuve, 09.09.2002-12.09.2002] R&D Projects: GA AV ČR IAA4072904 Keywords : combustion catalysts * microemulsion s Subject RIV: CI - Industrial Chemistry, Chemical Engineering Impact factor: 3.468, year: 2002

  20. AFRL Combustion Science Branch Research Activities and Capabilities

    Science.gov (United States)

    2003-03-01

    a wide variety of partners that include other DoD organizations, NASA, DoE, . engine companies , universities, small businesses, and on-site...Dynamics with Chemistry (CFDC) code (Katta et aI., 1994) known as UNICORN (UNsteady Ignition and COmbustion with ReactioNs). UNICORN is a time- dependent...simulate a variety of dynamic flames (Roquemore and Katta, 1998). From its conception, the development of UNICORN has been strongly coupled with