KINETIC MODELING OF NOX FORMATION AND DESTRUCTION AND COMBUSTIBLES BURNOUT

EPA Science Inventory

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

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

NASA Astrophysics Data System (ADS)

Xin, Yuxuan

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

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

PubMed

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

2016-07-26

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

Formation and emission of large furans and oxygenated hydrocarbons from flames

PubMed Central

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

2016-01-01

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

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

EPA Science Inventory

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

DFT studies of hydrocarbon combustion on metal surfaces.

PubMed

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.

Formation and emission of large furans and oxygenated hydrocarbons from flames

DOE PAGES

Johansson, K. Olof; Dillstrom, Tyler; Monti, Matteo; ...

2016-07-07

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

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

NASA Technical Reports Server (NTRS)

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

1991-01-01

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

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

NASA Astrophysics Data System (ADS)

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

2010-03-01

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

Calorific values and combustion chemistry of animal manure

USDA-ARS?s Scientific Manuscript database

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

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

NASA Technical Reports Server (NTRS)

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

1986-01-01

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

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

PubMed

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

Optofluidic reactors for reverse combustion photocatalytic production of hydrocarbons (Conference Presentation)

NASA Astrophysics Data System (ADS)

Schein, Perry; Erickson, David

2017-03-01

In combustion, hydrocarbon fuels are burned with oxygen to release energy, carbon dioxide and water vapor. Here, we introduce a photocatalytic reactor for reversing this process, when carbon dioxide and water are combined and using optical and thermal energy from the sun hydrocarbons are produced and oxygen is released. This allows for the sustainable production of hydrocarbon products from non-fossil sources, allowing for the development of "green" hydrocarbon products. Our reactors take the form of modular cells of 10 x 10 x 10 cm scale where light is delivered to nanostructured catalysts through the evanescent field around dielectric slab waveguides. The light distribution is optimized through the use of engineered scattering sites to enhance field uniformity. This is combined with integrated fluidic architecture to deliver a stream rich in water and carbon dioxide (such as exhaust from a natural gas burning plant) to the nanostructured catalyst particles in a narrow channel. Exhaust streams rich in oxygen and hydrocarbon products are collected at the outlet of the reactor cell. The cell is heated using solar thermal energy and temperatures of up to 200°C are achieved, enhancing reaction efficiency. Hydrocarbon products produced include methanol as well as other potentially useful molecules for fuel production or precursors to the manufacture of plastics. These reactors can be coupled to solar collectors to take advantage of the sun as a free source of heat and light, and the modular nature of the cells enables scaling to larger deployments.

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

NASA Technical Reports Server (NTRS)

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

2007-01-01

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

Kinetics and Product Channels in Combustion Chemistry

DOE Office of Scientific and Technical Information (OSTI.GOV)

Hershberger, John F.

We report study of the chemical kinetics and/or photochemistry of several chemical reactions of potential interest in understanding the gas phase combustion chemistry of nitrogen-containing molecules. Studies completed during the final grant period include determination of quantum yields of the photolysis of HCNO, fulminic acid, a kinetics and product channel study of the reaction of CN radicals with methyl bromide, and study of the products of the reaction of hydroxymethyl radical with nitric oxide.

Combustion chemistry of solid propellants

NASA Technical Reports Server (NTRS)

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

1974-01-01

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

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

NASA Technical Reports Server (NTRS)

Wey, Thomas Changju; Liu, Nan-suey

2011-01-01

This paper describes the implementations of the linear-eddy model (LEM) and an Eulerian FDF/PDF model in the National Combustion Code (NCC) for the simulation of turbulent combustion. The impacts of these two models, along with the so called laminar chemistry model, are then illustrated via the preliminary results from two combustion systems: a nine-element gas fueled combustor and a single-element liquid fueled combustor.

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

NASA Astrophysics Data System (ADS)

Abdul Sater, Hassan A.

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

Tripropellant combustion process

NASA Technical Reports Server (NTRS)

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

1988-01-01

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

The effects of detailed chemistry and transport on microgravity droplet combustion

NASA Technical Reports Server (NTRS)

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

1995-01-01

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

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

ERIC Educational Resources Information Center

Inner London Education Authority (England).

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

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

PubMed

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

2014-03-01

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

A Study of Cavitation-Ignition Bubble Combustion

NASA Technical Reports Server (NTRS)

Nguyen, Quang-Viet; Jacqmin, David A.

2005-01-01

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

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

NASA Astrophysics Data System (ADS)

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.

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

PubMed

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.

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

NASA Technical Reports Server (NTRS)

Richardson, Brian; Kenny, Jeremy

2015-01-01

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

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

NASA Technical Reports Server (NTRS)

Makel, Darby B.; Rosenberg, Sanders D.

1990-01-01

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

Nonmethane hydrocarbon chemistry in the remote marine boundary layer

NASA Technical Reports Server (NTRS)

Donahue, Neil M.; Prinn, Ronald G.

1990-01-01

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

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

DOE PAGES

Ge, Hai-Wen; Juneja, Harmit; Shi, Yu; ...

2010-01-01

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

Numerical approaches to combustion modeling. Progress in Astronautics and Aeronautics. Vol. 135

DOE Office of Scientific and Technical Information (OSTI.GOV)

Oran, E.S.; Boris, J.P.

1991-01-01

Various papers on numerical approaches to combustion modeling are presented. The topics addressed include; ab initio quantum chemistry for combustion; rate coefficient calculations for combustion modeling; numerical modeling of combustion of complex hydrocarbons; combustion kinetics and sensitivity analysis computations; reduction of chemical reaction models; length scales in laminar and turbulent flames; numerical modeling of laminar diffusion flames; laminar flames in premixed gases; spectral simulations of turbulent reacting flows; vortex simulation of reacting shear flow; combustion modeling using PDF methods. Also considered are: supersonic reacting internal flow fields; studies of detonation initiation, propagation, and quenching; numerical modeling of heterogeneous detonations, deflagration-to-detonationmore » transition to reactive granular materials; toward a microscopic theory of detonations in energetic crystals; overview of spray modeling; liquid drop behavior in dense and dilute clusters; spray combustion in idealized configurations: parallel drop streams; comparisons of deterministic and stochastic computations of drop collisions in dense sprays; ignition and flame spread across solid fuels; numerical study of pulse combustor dynamics; mathematical modeling of enclosure fires; nuclear systems.« less

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

DOE Office of Scientific and Technical Information (OSTI.GOV)

Gaspar, Daniel J.; McCormick, Robert L.; Polikarpov, Evgueni

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.

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

NASA Technical Reports Server (NTRS)

Hart, S. W.

1982-01-01

A preliminary characterization of Orbital Maneuvering System (OMS) and Reaction Control System (RCS) engine point designs over a range of thrust and chamber pressure for several hydrocarbon fuels is reported. OMS and RCS engine point designs were established in two phases comprising baseline and parametric designs. Interface pressures, performance and operating parameters, combustion chamber cooling and turboprop requirements, component weights and envelopes, and propellant conditioning requirements for liquid to vapor phase engine operation are defined.

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

PubMed

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

2016-09-15

Emission and distribution characteristics of polycyclic aromatic hydrocarbons (PAHs) were investigated during municipal solid waste (MSW) and coal combustion alone and MSW/coal blend (MSW weight fraction of 25%) co-combustion within a temperature range of 500°C-900°C. The results showed that for all combustion experiments, flue gas occupied the highest proportion of total PAHs and fly ash contained more high-ring PAHs. Moreover, the 3- and 4-ring PAHs accounted for the majority of total PAHs and Ant or Phe had the highest concentrations. Compared to coal, MSW combustion generated high levels of total PAHs with the range of 111.28μg/g-10,047.22μg/g and had high toxicity equivalent value (TEQ). MSW/coal co-combustion generated the smallest amounts of total PAHs and had the lowest TEQ than MSW and coal combustion alone. Significant synergistic interactions occurred between MSW and coal during co-combustion and the interactions suppressed the formation of PAHs, especially hazardous high-ring PAHs and decreased the TEQ. The present study indicated that the reduction of the yield and toxicity of PAHs can be achieved by co-combustion of MSW and coal. Copyright © 2016 Elsevier B.V. All rights reserved.

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

PubMed Central

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

2013-01-01

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

Combustion

NASA Technical Reports Server (NTRS)

Bulzan, Dan

2007-01-01

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

Spectral optimization and uncertainty quantification in combustion modeling

NASA Astrophysics Data System (ADS)

Sheen, David Allan

Reliable simulations of reacting flow systems require a well-characterized, detailed chemical model as a foundation. Accuracy of such a model can be assured, in principle, by a multi-parameter optimization against a set of experimental data. However, the inherent uncertainties in the rate evaluations and experimental data leave a model still characterized by some finite kinetic rate parameter space. Without a careful analysis of how this uncertainty space propagates into the model's predictions, those predictions can at best be trusted only qualitatively. In this work, the Method of Uncertainty Minimization using Polynomial Chaos Expansions is proposed to quantify these uncertainties. In this method, the uncertainty in the rate parameters of the as-compiled model is quantified. Then, the model is subjected to a rigorous multi-parameter optimization, as well as a consistency-screening process. Lastly, the uncertainty of the optimized model is calculated using an inverse spectral optimization technique, and then propagated into a range of simulation conditions. An as-compiled, detailed H2/CO/C1-C4 kinetic model is combined with a set of ethylene combustion data to serve as an example. The idea that the hydrocarbon oxidation model should be understood and developed in a hierarchical fashion has been a major driving force in kinetics research for decades. How this hierarchical strategy works at a quantitative level, however, has never been addressed. In this work, we use ethylene and propane combustion as examples and explore the question of hierarchical model development quantitatively. The Method of Uncertainty Minimization using Polynomial Chaos Expansions is utilized to quantify the amount of information that a particular combustion experiment, and thereby each data set, contributes to the model. This knowledge is applied to explore the relationships among the combustion chemistry of hydrogen/carbon monoxide, ethylene, and larger alkanes. Frequently, new data will

Spray Combustion Modeling with VOF and Finite-Rate Chemistry

NASA Technical Reports Server (NTRS)

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

1996-01-01

A spray atomization and combustion model is developed based on the volume-of-fluid (VOF) transport equation with finite-rate chemistry model. The gas-liquid interface mass, momentum and energy conservation laws are modeled by continuum surface force mechanisms. A new solution method is developed such that the present VOF model can be applied for all-speed range flows. The objectives of the present study are: (1) to develop and verify the fractional volume-of-fluid (VOF) cell partitioning approach into a predictor-corrector algorithm to deal with multiphase (gas-liquid) free surface flow problems; (2) to implement the developed unified algorithm in a general purpose computational fluid dynamics (CFD) code, Finite Difference Navier-Stokes (FDNS), with droplet dynamics and finite-rate chemistry models; and (3) to demonstrate the effectiveness of the present approach by simulating benchmark problems of jet breakup/spray atomization and combustion. Modeling multiphase fluid flows poses a significant challenge because a required boundary must be applied to a transient, irregular surface that is discontinuous, and the flow regimes considered can range from incompressible to highspeed compressible flows. The flow-process modeling is further complicated by surface tension, interfacial heat and mass transfer, spray formation and turbulence, and their interactions. The major contribution of the present method is to combine the novel feature of the Volume of Fluid (VOF) method and the Eulerian/Lagrangian method into a unified algorithm for efficient noniterative, time-accurate calculations of multiphase free surface flows valid at all speeds. The proposed method reformulated the VOF equation to strongly couple two distinct phases (liquid and gas), and tracks droplets on a Lagrangian frame when spray model is required, using a unified predictor-corrector technique to account for the non-linear linkages through the convective contributions of VOF. The discontinuities within the

Ab initio study of chain branching reactions involving second generation products in hydrocarbon combustion mechanisms.

PubMed

Davis, Alexander C; Francisco, Joseph S

2012-01-28

sec-Alkyl radicals are key reactive intermediates in the hydrocarbon combustion and atmospheric decomposition mechanisms that are formed by the abstraction of hydrogen from an alkane, or as a second generation product of n-alkyl H-migrations, C-C bond scissions in branched alkyl radicals, or the bimolecular reaction between olefins and n-alkyl radicals. Since alkanes and branched alkanes, which the sec-alkyl radicals are derived from, make up roughly 40-50% of traditional fuels an understanding of their chemistry is essential to improving combustion systems. The present work investigates all H-migration reactions initiated from an sec-alkyl radical that involve the movement of a secondary hydrogen, for the 2-butyl through 4-octyl radicals, using the CBS-Q, G2, and G4 composite methods. The resulting thermodynamic and kinetic parameters are compared to similar reactions in n-alkyl radicals in order to determine underlying trends. Particular attention is paid to the effect of cis/trans and 1,3-diaxial interactions on activation energies and rate coefficients. When combined with our previous work on n-alkyl radical H-migrations, a complete picture of H-migrations in unbranched alkyl radicals is obtained. This full data set suggests that the directionality of the remaining branched chains has a minimal effect on the rate coefficients for all but the largest viable transition states, which is in stark contrast to the differences predicted by the structurally similar dimethylcycloalkanes. In fact the initial location of the secondary radical site has a greater effect on the rate than does the directionality of the remaining alkyl chains. The activation energies for secondary to secondary reactions are much closer to those of the secondary to primary H-migrations. However, the rate coefficients are found to be closer to the corresponding primary to primary reaction values. A significant ramification of these results is that there will be multiple viable reaction pathways

Carbon deposition model for oxygen-hydrocarbon combustion, volume 1

NASA Technical Reports Server (NTRS)

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

1987-01-01

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

Carbon Deposition Model for Oxygen-Hydrocarbon Combustion, Volume 2

NASA Technical Reports Server (NTRS)

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

1987-01-01

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

The Effect of Aerosols on Pluto's C2 Hydrocarbon Chemistry

NASA Astrophysics Data System (ADS)

Luspay-Kuti, Adrienn; Mandt, Kathleen; Jessup, Kandis-Lea; Hue, Vincent; Kammer, Joshua; Filwett, Rachael; Hamel, Mark

2017-10-01

On July 14, 2015 the New Horizons spacecraft flew through the Pluto system, providing critical details about Pluto’s atmosphere. The vertical profiles of N2 and CH4, C2H2, C2H4, and C2H6 derived from New Horizons Alice transmission data allow the more accurate modeling of Pluto’s atmosphere than in the pre-New Horizons era, and help better understand the physical and photochemical processes in Pluto’s atmosphere. All the measured C2 hydrocarbon densities showed an unexpected inversion between ~100 and 400 km, which suggests that processes other than chemistry play an important role in shaping their vertical profiles. We present here a state-of-the-art Pluto Ion-Neutral-Photochemistry (Pluto INP) model that includes the condensation onto and incorporation into aerosol particles, and evaluate the dominant production and loss processes of C2 hydrocarbons with a special emphasis on the role of aerosol interaction. We found that in order to reproduce the C2 profiles measured by New Horizons, they must stick to and be permanently removed by aerosols - a process different from condensation. We determined through empirical fits to the New Horizons data that the sticking efficiency of C2 hydrocarbons and the stickiness of the aerosol particles are inversely related to the available aerosol surface area, which has been inferred from observation to increase as altitude decreases. This counterintuitive relationship between sticking efficiency and available aerosol surfaces indicates that similarly to Titan, Pluto’s aerosols must harden and become less sticky as they age. Such hardening with ageing is both necessary and sufficient to explain the vertical profiles of C2 hydrocarbons in Pluto’s atmosphere.

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

PubMed

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

2005-01-01

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

Polycyclic aromatic hydrocarbons (PAHs) from coal combustion: emissions, analysis, and toxicology.

PubMed

Liu, Guijian; Niu, Zhiyuan; Van Niekerk, Daniel; Xue, Jian; Zheng, Liugen

2008-01-01

Coal may become more important as an energy source in the 21st century, and coal contains large quantities of organic and inorganic matter. When coal burns chemical and physical changes take place, and many toxic compounds are formed and emitted. Polycyclic aromatic hydrocarbons (PAHs) are among those compounds formed and are considered to pose potential health hazards because some PAHs are known carcinogens. Based on their toxicology, 16 PAHs are considered as priority pollutants by the USEPA. More attention must be given to the various methods of extraction and analysis of PAH from coal or coal products to accurately explain and determine the species of PAHs. The influences of the extraction time, solvents, and methods for PAH identification are important. In the future, more methods and influences will be studied more carefully and widely. PAHs are environmental pollutants, are highly lipid soluble, and can be absorbed by the lungs, gut, and skin of mammals because they are associated with fine particles from coal combustion. More attention is being given to PAHs because of their carcinogenic and mutagenic action. We suggest that when using a coal stove indoors, a chimney should be used; the particles and gas containing PAHs should be released outdoors to reduce the health hazard, especially in Southwest China. During coal utilization processes, such as coal combustion and pyrolysis, PAHs released may be divided into two categories according to their formation pathways: one pathway is derived from complex chemical reactions and the other is from free PAHs transferred from the original coal. The formation and emission of PAHs is a complex physical and chemical process that has received considerable attention in recent years. It is suggested that the formation mechanisms of PAHs will be an increasingly important topic for researchers to find methods for controlling emissions during coal combustion.

Formation of charged nanoparticles in hydrocarbon flames: principal mechanisms

NASA Astrophysics Data System (ADS)

Starik, A. M.; Savel'ev, A. M.; Titova, N. S.

2008-11-01

The processes of charged gaseous and particulate species formation in sooting hydrocarbon/air flame are studied. The original kinetic model, comprising the chemistry of neutral and charged gaseous species, generation of primary clusters, which then undergo charging due to attachment of ions and electrons to clusters and via thermoemission, and coagulation of charged-charged, charged-neutral and neutral-neutral particles, is reported. The analysis shows that the principal mechanisms of charged particle origin in hydrocarbon flames are associated with the attachment of ions and electrons produced in the course of chemoionization reactions to primary small clusters and particles and coagulation via charged-charged and charged-neutral particle interaction. Thermal ionization of particles does not play a significant role in the particle charging. This paper was presented at the Third International Symposium on Nonequilibrium Process, combustion, and Atmospheric Phenomena (Dagomys, Sochi, Russia, 25-29 June 2007).

Lectures on combustion theory

DOE Office of Scientific and Technical Information (OSTI.GOV)

Burstein, S.Z.; Lax, P.D.; Sod, G.A.

1978-09-01

Eleven lectures are presented on mathematical aspects of combustion: fluid dynamics, deflagrations and detonations, chemical kinetics, gas flows, combustion instability, flame spread above solids, spark ignition engines, burning rate of coal particles and hydrocarbon oxidation. Separate abstracts were prepared for three of the lectures. (DLC)

Constant-Pressure Combustion Charts Including Effects of Diluent Addition

NASA Technical Reports Server (NTRS)

Turner, L Richard; Bogart, Donald

1949-01-01

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

Fundamentals of Gas Turbine combustion

NASA Technical Reports Server (NTRS)

Gerstein, M.

1979-01-01

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

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

NASA Astrophysics Data System (ADS)

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

2013-01-01

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

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

PubMed

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.

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

DOE Office of Scientific and Technical Information (OSTI.GOV)

Sitaraman, Hariswaran; Grout, Ray W

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 heremore » 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.« less

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

PubMed

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 time<2sec), followed a pseudo-first-order kinetics model. An Arrhenius plot revealed that the activation energy and frequency factor of the decomposition of HBCD by combustion were 14.2kJ/mol and 1.69sec -1 , respectively. During combustion, 11 brominated polycyclic 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.

Large eddy simulation of turbulent premixed combustion using tabulated detailed chemistry and presumed probability density function

NASA Astrophysics Data System (ADS)

Zhang, Hongda; Han, Chao; Ye, Taohong; Ren, Zhuyin

2016-03-01

A method of chemistry tabulation combined with presumed probability density function (PDF) is applied to simulate piloted premixed jet burner flames with high Karlovitz number using large eddy simulation. Thermo-chemistry states are tabulated by the combination of auto-ignition and extended auto-ignition model. To evaluate the predictive capability of the proposed tabulation method to represent the thermo-chemistry states under the condition of different fresh gases temperature, a-priori study is conducted by performing idealised transient one-dimensional premixed flame simulations. Presumed PDF is used to involve the interaction of turbulence and flame with beta PDF to model the reaction progress variable distribution. Two presumed PDF models, Dirichlet distribution and independent beta distribution, respectively, are applied for representing the interaction between two mixture fractions that are associated with three inlet streams. Comparisons of statistical results show that two presumed PDF models for the two mixture fractions are both capable of predicting temperature and major species profiles, however, they are shown to have a significant effect on the predictions for intermediate species. An analysis of the thermo-chemical state-space representation of the sub-grid scale (SGS) combustion model is performed by comparing correlations between the carbon monoxide mass fraction and temperature. The SGS combustion model based on the proposed chemistry tabulation can reasonably capture the peak value and change trend of intermediate species. Aspects regarding model extensions to adequately predict the peak location of intermediate species are discussed.

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

NASA Technical Reports Server (NTRS)

Michel, R. W.

1983-01-01

An evaluation liquid oxygen (LOX) and various hydrocarbon fuels as low cost alternative propellants suitable for future space transportation system applications was done. The emphasis was directed toward low earth orbit maneuvering engine and reaction control engine systems. The feasibility of regeneratively cooling an orbit maneuvering thruster was analytically determined over a range of operating conditions from 100 to 1000 psia chamber pressure and 1000 to 10,000-1bF thrust, and specific design points were analyzed in detail for propane, methane, RP-1, ammonia, and ethanol; similar design point studies were performed for a film-cooled reaction control thruster. Heat transfer characteristics of propane were experimentally evaluated in heated tube tests. Forced convection heat transfer coefficients were determined. Seventy-seven hot firing tests were conducted with LOX/propane and LOX/ethanol, for a total duration of nearly 1400 seconds, using both heat sink and water-cooled calorimetric chambers. Combustion performance and stability and gas-side heat transfer characteristics were evaluated.

Method for producing viscous hydrocarbons

DOEpatents

Poston, Robert S.

1982-01-01

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

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

PubMed

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

2010-03-01

An investigation was made into the emissions of polycyclic aromatic hydrocarbons (PAHs) and polychlorinated biphenyls (PCBs) as well as inorganic gases (e.g. CO) from a wood fired combustion boiler using wood pellets, under two different boiler operating modes. Levels of total PAHs varied from 6.4 and 154 microg m(-3), and were found to be dominating in the gas phase (>80%), regardless of pellet type and boiler operating mode. In addition to this, PAH concentrations were higher in slumber mode than in full flame, and increased with the moisture content of pellets, consistent with the lower combustion efficiency in slumber mode (58.6-64.3%) than in full flame (74.4-82.3%). PAHs in the gas phase comprised mainly of low molecular mass compounds, while PAHs in the particulate phase were mostly composed of high molecular mass compounds, consistent with the physicochemical properties of such compounds. In comparison to PAHs, significantly lower concentrations of PCBs (a maximum of 2.5 microg m(-3)) were released from pellet combustion, consistent with the virgin nature of the pellets. The PCBs in both the gas and particulate phases were dominated by hexachlorinated congeners, although congeners with more chlorine substitution were more abundant in the particulate phase than in gas phase. Significant relationships were established between CO and organic pollutants, and between PAHs and PCBs, which are useful tools for prediction purposes. Copyright (c) 2009 Elsevier Ltd. All rights reserved.

Hydrocarbon-enhanced particulate filter regeneration via microwave ignition

DOEpatents

Gonze, Eugene V.; Brown, David B.

2010-02-02

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

Combustor nozzle for a fuel-flexible combustion system

DOEpatents

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

2011-03-22

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

Cavity Coupled Aeroramp Injector Combustion Study

DTIC Science & Technology

2009-08-01

Lin 5 Taitech Inc., Beavercreek, OH, 45430 The difficulties with fueling of supersonic combustion ramjet engines with hydrocarbon based fuels...combustor to not force the pre- combustion shock train out of the isolator and, in a full engine with inlet, cause an inlet unstart and likely...metric used to quantify engine performance is the combustion efficiency. Figure 9 shows the comparison of the combustion efficiency as a function of

Preliminary assessment of combustion modes for internal combustion wave rotors

NASA Technical Reports Server (NTRS)

Nalim, M. Razi

1995-01-01

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

Advanced Chemical Modeling for Turbulent Combustion Simulations

DTIC Science & Technology

2012-05-03

premixed combustion. The chemistry work proposes a method for defining jet fuel surrogates, describes how different sub- mechanisms can be incorporated...Chemical Modeling For Turbulent Combustion Simulations Final Report submitted by: Heinz Pitsch (PI) Stanford University Mechanical Engineering Flow Physics...predict the combustion characteristics of fuel oxidation and pollutant emissions from engines . The relevant fuel chemistry must be accurately modeled

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

PubMed Central

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

2012-01-01

Residential wood combustion is one of the important sources of air pollution in developing countries. Among the pollutants emitted, parent polycyclic aromatic hydrocarbons (pPAHs) and their derivatives, including nitrated and oxygenated PAHs (nPAHs and oPAHs), are of concern because of their mutagenic and carcinogenic effects. In order to evaluate their impacts on regional air quality and human health, emission inventories, based on realistic emission factors (EFs), are needed. In this study, the EFs of 28 pPAHs (EFPAH28), 9 nPAHs (EFPAHn9) and 4 oPAHs (EFPAHo4) were measured for residential combustion of 27 wood fuels in rural China. The measured EFPAH28, EFPAHn9, and EFPAHo4 for brushwood were 86.7±67.6, 3.22±1.95×10−2, and 5.56±4.32 mg/kg, which were significantly higher than 12.7±7.0, 8.27±5.51×10−3, and 1.19±1.87 mg/kg for fuel wood combustion (p < 0.05). Sixteen U.S. EPA priority pPAHs contributed approximately 95% of the total of the 28 pPAHs measured. EFs of pPAHs, nPAHs, and oPAHs were positively correlated with one another. Measured EFs varied obviously depending on fuel properties and combustion conditions. The EFs of pPAHs, nPAHs, and oPAHs were significantly correlated with modified combustion efficiency and fuel moisture. Nitro-naphthalene and 9-fluorenone were the most abundant nPAHs and oPAHs identified. Both nPAHs and oPAHs showed relatively high tendencies to be present in the particulate phase than pPAHs due to their lower vapor pressures. The gas-particle partitioning of freshly emitted pPAHs, nPAHs and oPAHs was primarily controlled by organic carbon absorption. PMID:22765266

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

NASA Astrophysics Data System (ADS)

Hiremath, Varun; Ren, Zhuyin; Pope, Stephen B.

2010-09-01

Computational calculations of combustion problems involving large numbers of species and reactions with a detailed description of the chemistry can be very expensive. Numerous dimension reduction techniques have been developed in the past to reduce the computational cost. In this paper, we consider the rate controlled constrained-equilibrium (RCCE) dimension reduction method, in which a set of constrained species is specified. For a given number of constrained species, the 'optimal' set of constrained species is that which minimizes the dimension reduction error. The direct determination of the optimal set is computationally infeasible, and instead we present a greedy algorithm which aims at determining a 'good' set of constrained species; that is, one leading to near-minimal dimension reduction error. The partially-stirred reactor (PaSR) involving methane premixed combustion with chemistry described by the GRI-Mech 1.2 mechanism containing 31 species is used to test the algorithm. Results on dimension reduction errors for different sets of constrained species are presented to assess the effectiveness of the greedy algorithm. It is shown that the first four constrained species selected using the proposed greedy algorithm produce lower dimension reduction error than constraints on the major species: CH4, O2, CO2 and H2O. It is also shown that the first ten constrained species selected using the proposed greedy algorithm produce a non-increasing dimension reduction error with every additional constrained species; and produce the lowest dimension reduction error in many cases tested over a wide range of equivalence ratios, pressures and initial temperatures.

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

DOE Office of Scientific and Technical Information (OSTI.GOV)

Roos, Bryan Nathaniel; Gonze, Eugene V; Santoso, Halim G

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 ismore » directed through a bypass path that bypasses the electrically heated catalyst to conserve the thermal energy stored within the electrically heated catalyst.« less

Chemistry Notes.

ERIC Educational Resources Information Center

School Science Review, 1982

1982-01-01

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

Polynuclear aromatic hydrocarbons for fullerene synthesis in flames

DOEpatents

Alford, J. Michael; Diener, Michael D.

2006-12-19

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

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

NASA Technical Reports Server (NTRS)

Gordon, S.

1982-01-01

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

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

PubMed

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.

Advanced modeling of nitrogen oxide emissions in circulating fluidized bed combustors: Parametric study of coal combustion and nitrogen compound chemistries

DOE Office of Scientific and Technical Information (OSTI.GOV)

Kilpinen, P.; Kallio, S.; Hupa, M.

1999-07-01

This paper describes work-in-progress aimed at developing an emission model for circulating fluidized bed combustors using detailed homogeneous and heterogeneous chemical kinetics. The main emphasis is on nitrogen oxides (NO{sub x}, N{sub 2}O) but also unburned gases (CO, C{sub x}H{sub y}) and sulfur dioxide (SO{sub 2}) will be investigated in the long run. The hydrodynamics is described by a 1.5-dimensional model where the riser is divided into three regions: a dense bubbling bed at the bottom, a vigorously mixed splash zone, and a transport zone. The two latter zones are horizontally split into a core region and an annular region.more » The solids circulation rate is calculated from the known solids inventory and the pressure and mass balances over the entire circulation loop. The solids are divided into classes according to size and type or particle. The model assumes instantaneous fuel devolatilization at the bottom and an even distribution of volatiles in the suspension phase of the dense bed. For addition of secondary air, a complete penetration and an instantaneous mixing with the combustor gases in the core region is assumed. The temperature distribution is assumed to be known, and no energy balance is solved. A comprehensive kinetic scheme of about 300 elementary gas-phase reactions is used to describe the homogeneous oxidation of the volatiles including both hydrocarbon and volatile-nitrogen components (NH{sub 3}, HCN). Heterogeneous char combustion to CO and CO{sub 2}, and char-nitrogen conversion to NO, N{sub 2}O, and N{sub 2} are described by a single particle model that includes 15 reaction steps given in the form of 6 net reaction paths. In the paper, the model is briefly described. A special emphasis is put on the evaluation of chemistry submodels. Modeling results on nitrogen oxides' formation are compared with measured concentration profiles in a 12 MW CFBC riser from literature. The importance of accurate chemistry description on predictions is

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

DOE Office of Scientific and Technical Information (OSTI.GOV)

Douberly, Gary Elliott

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 systemsmore » 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.« less

Electrically heated particulate filter regeneration using hydrocarbon adsorbents

DOEpatents

Gonze, Eugene V [Pinckney, MI; Ament, Frank [Troy, MI

2011-02-01

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

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

DOEpatents

Coleman, Gerald N.; Kesse, Mary L.

2007-10-30

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

Combustion chamber and thermal vapor stream producing apparatus and method

DOEpatents

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

1978-01-01

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

Laser Ionization Studies of Hydrocarbon Flames.

NASA Astrophysics Data System (ADS)

Bernstein, Jeffrey Scott

Resonance-enhanced multiphoton ionization (REMPI) and laser induced fluorescence (LIF) are applied as laser based flame diagnostics for studies of hydrocarbon combustion chemistry. rm CH_4/O_2, C _2H_4/O_2, and rm C_2H_6/O_2 low pressure ( ~20 Torr), stoichiometric burner stabilized flat flames are studied. Density profiles of intermediate flame species, existing at ppm concentrations, are mapped out as a function of distance from the burner head. Profiles resulting from REMPI and LIF detection are obtained for HCO, CH_3, H, O, OH, CH, and CO flame radicals. The above flame systems are computer modeled against currently accepted combustion mechanisms using the Chemkin and Premix flame codes developed at Sandia National Laboratories. The modeled profile densities show good agreement with the experimental results of the CH_4/O_2 flame system, thus confirming the current C1 kinetic flame mechanism. Discrepancies between experimental and modeled results are found with the C2 flames. These discrepancies are partially amended by modifying the rate constant of the rm C_2H_3+rm O_2 to H_2CO + HCO reaction. The modeled results computed with the modified rate constant strongly suggest that the kinetics of several or possibly many reactions in the C2 mechanism need refinement.

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

NASA Technical Reports Server (NTRS)

Gordon, S.

1982-01-01

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

Nox reduction system utilizing pulsed hydrocarbon injection

DOEpatents

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

2001-01-01

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

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

NASA Astrophysics Data System (ADS)

Stenberg, Jari; Hernberg, Rolf; Vattulainen, Juha

1995-12-01

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

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

NASA Astrophysics Data System (ADS)

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

2014-07-01

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

Theoretical Studies of Elementary Hydrocarbon Species and Their Reactions

DOE Office of Scientific and Technical Information (OSTI.GOV)

Allen, Wesley D.; Schaefer, Henry F.

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 O 2. Numerous ROOmore » and QOOH intermediates in these R + O 2 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 are emerging

Nitrogen chemistry during burnout in fuel-staged combustion

DOE Office of Scientific and Technical Information (OSTI.GOV)

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

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

Numerical study of supersonic combustion using a finite rate chemistry model

NASA Technical Reports Server (NTRS)

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

1986-01-01

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

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

PubMed

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

2000-09-01

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

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

DOE Office of Scientific and Technical Information (OSTI.GOV)

Coda Zabetta, Edgardo; Hupa, Mikko

2008-01-15

A detailed chemical kinetic mechanism for the simulation of the gas-phase combustion and pyrolysis of biomass-derived fuels was compiled by assembling selected reaction subsets from existing mechanisms (parents). The mechanism, here referred to as ''AaA,'' includes reaction subsets for the oxidation of hydrogen (H{sub 2}), carbon monoxide (CO), light hydrocarbons (C{sub 1} and C{sub 2}), and methanol (CH{sub 3}OH). The mechanism also takes into account reaction subsets of nitrogen pollutants, including the reactions relevant to staged combustion, reburning, and selective noncatalytic reduction (SNCR). The AaA mechanism was validated against suitable experimental data from the literature. Overall, the AaA mechanism gavemore » 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)« less

Low NOx combustion using cogenerated oxygen and nitrogen streams

DOE Office of Scientific and Technical Information (OSTI.GOV)

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

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

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

PubMed

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.

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

DOE Office of Scientific and Technical Information (OSTI.GOV)

Zhou, Li; Maity, Surajit; Abplanalp, Matt

2014-07-20

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

Free-radicals aided combustion with scramjet applications

NASA Technical Reports Server (NTRS)

Yang, Yongsheng; Kumar, Ramohalli

1992-01-01

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

The role of cool-flame chemistry in quasi-steady combustion and extinction of n-heptane droplets

NASA Astrophysics Data System (ADS)

Paczko, Guenter; Peters, Norbert; Seshadri, Kalyanasundaram; Williams, Forman Arthur

2014-09-01

Experiments on the combustion of large n-heptane droplets, performed by the National Aeronautics and Space Administration in the International Space Station, revealed a second stage of continued quasi-steady burning, supported by low-temperature chemistry, that follows radiative extinction of the first stage of burning, which is supported by normal hot-flame chemistry. The second stage of combustion experienced diffusive extinction, after which a large vapour cloud was observed to form around the droplet. In the present work, a 770-step reduced chemical-kinetic mechanism and a new 62-step skeletal chemical-kinetic mechanism, developed as an extension of an earlier 56-step mechanism, are employed to calculate the droplet burning rates, flame structures, and extinction diameters for this cool-flame regime. The calculations are performed for quasi-steady burning with the mixture fraction as the independent variable, which is then related to the physical variables of droplet combustion. The predictions with the new mechanism, which agree well with measured autoignition times, reveal that, in decreasing order of abundance, H2O, CO, H2O2, CH2O, and C2H4 are the principal reaction products during the low-temperature stage and that, during this stage, there is substantial leakage of n-heptane and O2 through the flame, and very little production of CO2 with no soot in the mechanism. The fuel leakage has been suggested to be the source of the observed vapour cloud that forms after flame extinction. While the new skeletal chemical-kinetic mechanism facilitates understanding of the chemical kinetics and predicts ignition times well, its predicted droplet diameters at extinction are appreciably larger than observed experimentally, but predictions with the 770-step reduced chemical-kinetic mechanism are in reasonably good agreement with experiment. The computations show how the key ketohydroperoxide compounds control the diffusion-flame structure and its extinction.

On-line measurement of heat of combustion

NASA Technical Reports Server (NTRS)

Chaturvedi, S. K.; Chegini, H.

1988-01-01

An experimental method for an on-line measurement of heat of combustion of a gaseous hydrocarbon fuel mixture of unknown composition is developed. It involves combustion of a test gas with a known quantity of air to achieve a predetermined oxygen concentration level in the combustion products. This is accomplished by a feedback controller which maintains the gas volumetric flow rate at a level consistent with the desired oxygen concentration in the products. The heat of combustion is determined from a known correlation with the gas volumetric flow rate. An on-line microcomputer accesses the gas volumetric flow data, and displays the heat of combustion values at desired time intervals.

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

PubMed

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

2012-06-05

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.

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

NASA Astrophysics Data System (ADS)

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

2015-12-01

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

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

NASA Technical Reports Server (NTRS)

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

1993-01-01

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

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

PubMed

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.

Formation of polycyclic aromatic hydrocarbons in circumstellar envelopes

NASA Technical Reports Server (NTRS)

Frenklach, Michael; Feigelson, Eric D.

1989-01-01

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

A Sequential Fluid-mechanic Chemical-kinetic Model of Propane HCCI Combustion

DOE Office of Scientific and Technical Information (OSTI.GOV)

Aceves, S M; Flowers, D L; Martinez-Frias, J

2000-11-29

We have developed a methodology for predicting combustion and emissions in a Homogeneous Charge Compression Ignition (HCCI) Engine. This methodology combines a detailed fluid mechanics code with a detailed chemical kinetics code. Instead of directly linking the two codes, which would require an extremely long computational time, the methodology consists of first running the fluid mechanics code to obtain temperature profiles as a function of time. These temperature profiles are then used as input to a multi-zone chemical kinetics code. The advantage of this procedure is that a small number of zones (10) is enough to obtain accurate results. Thismore » procedure achieves the benefits of linking the fluid mechanics and the chemical kinetics codes with a great reduction in the computational effort, to a level that can be handled with current computers. The success of this procedure is in large part a consequence of the fact that for much of the compression stroke the chemistry is inactive and thus has little influence on fluid mechanics and heat transfer. Then, when chemistry is active, combustion is rather sudden, leaving little time for interaction between chemistry and fluid mixing and heat transfer. This sequential methodology has been capable of explaining the main characteristics of HCCI combustion that have been observed in experiments. In this paper, we use our model to explore an HCCI engine running on propane. The paper compares experimental and numerical pressure traces, heat release rates, and hydrocarbon and carbon monoxide emissions. The results show an excellent agreement, even in parameters that are difficult to predict, such as chemical heat release rates. Carbon monoxide emissions are reasonably well predicted, even though it is intrinsically difficult to make good predictions of CO emissions in HCCI engines. The paper includes a sensitivity study on the effect of the heat transfer correlation on the results of the analysis. Importantly, the paper

Computational Analysis of End-of-Injection Transients and Combustion Recession

NASA Astrophysics Data System (ADS)

Jarrahbashi, Dorrin; Kim, Sayop; Knox, Benjamin W.; Genzale, Caroline L.; Georgia Institute of Technology Team

2016-11-01

Mixing and combustion of ECN Spray A after end of injection are modeled with different chemical kinetics models to evaluate the impact of mechanism formulation and low-temperature chemistry on predictions of combustion recession. Simulations qualitatively agreed with the past experimental observations of combustion recession. Simulations with the Cai mechanism show second-stage ignition in distinct regions near the nozzle, initially spatially separated from the lifted diffusion flame, but then rapidly merge with flame. By contrast, the Yao mechanism fails to predict sufficient low-temperature chemistry in mixtures upstream of the diffusion flame and combustion recession. The effects of the shape and duration of the EOI transient on the entrainment wave near the nozzle, the likelihood of combustion recession, and the spatiotemporal development of mixing and chemistry in near-nozzle mixtures are also investigated. With a more rapid ramp-down injection profile, a weaker combustion recession occurs. For extremely fast ramp-down, the entrainment flux varies rapidly near the nozzle and over-leaning of the mixture completely suppresses combustion recession. For a slower ramp-down profile complete combustion recession back toward the nozzle is observed.

Effects of non-thermal plasmas and electric field on hydrocarbon/air flames

NASA Astrophysics Data System (ADS)

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

New technique for calibrating hydrocarbon gas flowmeters

NASA Technical Reports Server (NTRS)

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

1984-01-01

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

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

NASA Technical Reports Server (NTRS)

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

1988-01-01

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

Multiuser Droplet Combustion Apparatus Developed to Conduct Combustion Experiments

NASA Technical Reports Server (NTRS)

Myhre, Craig A.

2001-01-01

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

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

PubMed

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

2014-11-26

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.

Numerical simulation of turbulent combustion: Scientific challenges

NASA Astrophysics Data System (ADS)

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

2014-08-01

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

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

PubMed

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

Hydrocarbon and nonhydrocarbon derivatives of cyclopropane

NASA Technical Reports Server (NTRS)

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

1953-01-01

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

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

NASA Technical Reports Server (NTRS)

Gross, R. S.

1980-01-01

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

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

NASA Technical Reports Server (NTRS)

Tyree, S. Y., Jr.

1975-01-01

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

Tabulated Combustion Model Development For Non-Premixed Flames

NASA Astrophysics Data System (ADS)

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

Forensic Chemistry

NASA Astrophysics Data System (ADS)

Bell, Suzanne

2009-07-01

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

Mechanisms of Hydrocarbon Based Polymer Etch

NASA Astrophysics Data System (ADS)

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

2015-09-01

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

A Study on the Effect of Stratified Mixture Formation on Combustion Characteristics in a Constant Volume Combustion Chamber

NASA Astrophysics Data System (ADS)

Lee, Kihyung; Lee, Changhee; Jeoung, Haeyoung

It is well known that a lean burn engine caused by stratified mixture formation has many kinds of advantages to combustion characteristics, such as higher thermal efficiency and lower CO, NOx levels than conventional homogeneous mixture combustion. Although this combustion can achieve low fuel consumption, it produces much unburned hydrocarbon and soot because of inhomogeneity of the charge mixture in the combustion chamber. Therefore, it is necessary to investigate the effect of mixture formation on combustion characteristics in order to obtain the stable lean combustion. In this paper, fundamental studies for stratified combustion were carried out using a constant volume combustion chamber. The effect of mixture formation on the combustion characteristics in the chamber was examined experimentally. In addition, the effect of turbulence on stratified charge combustion process was observed by schlieren photography. From this study, as the swirl intensity increases, (Sv)max is rapidly enhanced and the period of combustion is shortened. We also find that the stratification degree can be quantified by using burning velocity and it was controlled by induced air pressure and turbulent intensity.

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

PubMed

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

2014-04-30

To facilitate monitoring efforts, a forensic chemical fingerprinting methodology has been applied to characterize and differentiate pyrogenic (combustion derived) and biogenic (organism derived) hydrocarbons from petrogenic (petroleum derived) hydrocarbons in environmental samples from the Canadian oil sands region. Between 2009 and 2012, hundreds of oil sands environmental samples including water (snowmelt water, river water, and tailings pond water) and sediments (from river beds and tailings ponds) have been analyzed. These samples were taken from sites where assessments of wild fish health, invertebrate communities, toxicology and detailed chemistry are being conducted as part of the Canada-Alberta Joint Oil Sands Monitoring Plan (JOSMP). This study describes the distribution patterns and potential sources of PAHs from these integrated JOSMP study sites, and findings will be linked to responses in laboratory bioassays and in wild organisms collected from these same sites. It was determined that hydrocarbons in Athabasca River sediments and waters were most likely from four sources: (1) petrogenic heavy oil sands bitumen; (2) biogenic compounds; (3) petrogenic hydrocarbons of other lighter fuel oils; and (4) pyrogenic PAHs. PAHs and biomarkers detected in snowmelt water samples collected near mining operations imply that these materials are derived from oil sands particulates (from open pit mines, stacks and coke piles). Crown Copyright © 2014. Published by Elsevier B.V. All rights reserved.

Beryllium particle combustion

NASA Technical Reports Server (NTRS)

Prentice, J. L.

1972-01-01

A two-year study of the combustion efficiency of single beryllium droplets burning in a variety of oxidizers (primarily mixtures of oxygen/argon and oxygen/nitrogen) is summarized. An advanced laser heating technique was used to acquire systematic quantitative data on the burning of single beryllium droplets at atmospheric pressure. The research confirmed the sensitivity of beryllium droplet combustion to the chemistry of environmental species and provides experimental documentation for the nitrogen-induced droplet fragmentation of burning beryllium droplets.

Combustion engine. [for air pollution control

NASA Technical Reports Server (NTRS)

Houseman, J. (Inventor)

1977-01-01

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

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

NASA Astrophysics Data System (ADS)

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.

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

PubMed

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

2013-08-21

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

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

PubMed

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

2001-09-01

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

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

DOE Office of Scientific and Technical Information (OSTI.GOV)

Law, Chung

advanced-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

Modeling of Nitrogen Oxides Emissions from CFB Combustion

NASA Astrophysics Data System (ADS)

Kallio, S.; Keinonen, M.

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

Modeling of Plasma Assisted Combustion

NASA Astrophysics Data System (ADS)

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).

Photographic Combustion Characterization of LOX/Hydrocarbon Type Propellants

NASA Technical Reports Server (NTRS)

Judd, D. C.

1980-01-01

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

Modeling and Simulation of Plasma-Assisted Ignition and Combustion

DTIC Science & Technology

2013-10-01

local plasma chemistry effects over heat transport in achieving “volumetric” ignition using pulse nanosecond discharges. •detailed parametric studies...electrical breakdown • cathode sheath formation • electron impact dynamics PLASMA DISCHARGE DYNAMICS Plasma Chemistry Ionization, Excitation...quenching of excited species nonequilibrium plasma chemistry low temperature radical chemistry high temperature combustion chemistry School of

The seasonal variation of nonmethane hydrocarbons in the free troposphere over the North Atlantic Ocean - Possible evidence for extensive reaction of hydrocarbons with the nitrate radical

NASA Astrophysics Data System (ADS)

Penkett, S. A.; Blake, N. J.; Lightman, P.; Marsh, A. R. W.; Anwyl, P.; Butcher, G.

1993-02-01

Observations of the buildup in wintertime of a substantial concentration of hydrocarbons in the free troposphere over the North Atlantic Ocean are extended to the seasonal cycles of a much wider range of hydrocarbons, from C2 to C8. A large seasonal variation was found in the hydrocarbon content in the free troposphere over the north Atlantic Ocean. The maximum carbon concentration occurs in winter and is of the order of 20 ppbv in the form of reactive carbon compounds with lifetimes of days to months. The hydrocarbon content of air in winter over the Atlantic depends greatly on its source area, with polar maritime air containing much higher concentrations than air with a tropical maritime origin. There is evidence from detailed hydrocarbon data that NO3 chemistry may play a significant role in the removal of hydrocarbons from the atmosphere. This is more evident in the wintertime, when the hydroxyl chemistry is less dominant.

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

NASA Astrophysics Data System (ADS)

Palomo, C. M.; Yan, B.

2013-12-01

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

Laboratory studies of lean combustion

NASA Technical Reports Server (NTRS)

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

1977-01-01

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

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

DOEpatents

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

1998-01-01

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

Hydrocarbon emissions speciation in diesel and biodiesel exhausts

NASA Astrophysics Data System (ADS)

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

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

Control installation for the proportioning of a secondary air quantity for improvement of the combustion in internal combustion engines or the afterburning of the exhaust gases of internal combustion engines

DOE Office of Scientific and Technical Information (OSTI.GOV)

Bockelmann, W.; Groezinger, H.; Woebky, P.U.

1977-01-04

A control installation is described for the dosing or proportioning of a secondary air quantity for the improvement of combustion in internal combustion engines, or the after-burning of the exhaust gases of internal combustion engines. An auxiliary arrangement is responsive to an emergency signal for effecting the prompt shutting-off of the secondary air. The emergency signal may be initiated in response to a failure in the ignition voltage of the internal combustion engine; an increase in the hydrocarbon content of the exhaust gases; a disparity between the position of the mixture dosing element and the engine rotational speed; the exceedingmore » of a limiting temperature in the exhaust gas manifold; or the exceeding of a limiting temperature in the afterburner.« less

Photographic combustion characterization of LOX/Hydrocarbon type propellants

NASA Technical Reports Server (NTRS)

Judd, D. C.

1980-01-01

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

38th JANNAF Combustion Subcommittee Meeting. Volume 1

NASA Technical Reports Server (NTRS)

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

2002-01-01

This volume, the first of two volumes, is a collection of 55 unclassified/unlimited-distribution papers which were presented at the Joint Army-Navy-NASA-Air Force (JANNAF) 38th Combustion Subcommittee (CS), 26 th Airbreathing Propulsion Subcommittee (APS), 20th Propulsion Systems Hazards Subcommittee (PSHS), and 21 Modeling and Simulation Subcommittee. The meeting was held 8-12 April 2002 at the Bayside Inn at The Sandestin Golf & Beach Resort and Eglin Air Force Base, Destin, Florida. Topics cover five major technology areas including: 1) Combustion - Propellant Combustion, Ingredient Kinetics, Metal Combustion, Decomposition Processes and Material Characterization, Rocket Motor Combustion, and Liquid & Hybrid Combustion; 2) Liquid Rocket Engines - Low Cost Hydrocarbon Liquid Rocket Engines, Liquid Propulsion Turbines, Liquid Propulsion Pumps, and Staged Combustion Injector Technology; 3) Modeling & Simulation - Development of Multi- Disciplinary RBCC Modeling, Gun Modeling, and Computational Modeling for Liquid Propellant Combustion; 4) Guns Gun Propelling Charge Design, and ETC Gun Propulsion; and 5) Airbreathing - Scramjet an Ramjet- S&T Program Overviews.

Surface chemistry of rare-earth oxide surfaces at ambient conditions: reactions with water and hydrocarbons

NASA Astrophysics Data System (ADS)

Külah, Elçin; Marot, Laurent; Steiner, Roland; Romanyuk, Andriy; Jung, Thomas A.; Wäckerlin, Aneliia; Meyer, Ernst

2017-03-01

Rare-earth (RE) oxide surfaces are of significant importance for catalysis and were recently reported to possess intrinsic hydrophobicity. The surface chemistry of these oxides in the low temperature regime, however, remains to a large extent unexplored. The reactions occurring at RE surfaces at room temperature (RT) in real air environment, in particular, in presence of polycyclic aromatic hydrocarbons (PAHs), were not addressed until now. Discovering these reactions would shed light onto intermediate steps occurring in automotive exhaust catalysts before reaching the final high operational temperature and full conversion of organics. Here we first address physical properties of the RE oxide, nitride and fluoride surfaces modified by exposure to ambient air and then we report a room temperature reaction between PAH and RE oxide surfaces, exemplified by tetracene (C18H12) on a Gd2O3. Our study evidences a novel effect - oxidation of higher hydrocarbons at significantly lower temperatures (~300 K) than previously reported (>500 K). The evolution of the surface chemical composition of RE compounds in ambient air is investigated and correlated with the surface wetting. Our surprising results reveal the complex behavior of RE surfaces and motivate follow-up studies of reactions between PAH and catalytic surfaces at the single molecule level.

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

DOEpatents

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

1998-07-14

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

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

NASA Technical Reports Server (NTRS)

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

1983-01-01

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

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

NASA Technical Reports Server (NTRS)

Takahashi, Fumiaki; Katta, Viswanath R.

2003-01-01

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

Handbook of infrared radiation from combustion gases

NASA Technical Reports Server (NTRS)

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

1973-01-01

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

Study of Combustion Characteristics of Hydrocarbon Nanofuel Droplets

DTIC Science & Technology

2017-08-23

conditions in a sacrificial pressure vessel. - Investigate combustion dynamics of nanofuel sprays under acoustic forcing at supercritical conditions...change in flame color and foaming of the fuel at the end. 24DISTRIBUTION STATEMENT A. Approved for public release; distribution is unlimited PA 17513

Ultra-lean combustion at high inlet temperatures

NASA Technical Reports Server (NTRS)

Anderson, D. N.

1981-01-01

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

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

PubMed

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

2011-04-01

Reconstructions of 250 years historical inputs of two distinct types of black carbon (soot/graphitic black carbon (GBC) and char-BC) were conducted on sediment cores from two basins of the Puget Sound, WA. Signatures of polycyclic aromatic hydrocarbons (PAHs) were also used to support the historical reconstructions of BC to this system. Down-core maxima in GBC and combustion-derived PAHs occurred in the 1940s in the cores from the Puget Sound Main Basin, whereas in Hood Canal such peak was observed in the 1970s, showing basin-specific differences in inputs of combustion byproducts. This system showed relatively higher inputs from softwood combustion than the northeastern U.S. The historical variations in char-BC concentrations were consistent with shifts in climate indices, suggesting an influence of climate oscillations on wildfire events. Environmental loading of combustion byproducts thus appears as a complex function of urbanization, fuel usage, combustion technology, environmental policies, and climate conditions. Copyright © 2010 Elsevier Ltd. All rights reserved.

George A. Olah, Carbocation and Hydrocarbon Chemistry

Science.gov Websites

. Final Technical Report. [HF:BF{sub 2}/H{sub 2}] , DOE Technical Report, 1980 Superacid Catalyzed Coal Conversion Chemistry. 1st and 2nd Quarterly Technical Progress Reports, September 1, 1983-March 30, 1984 , DOE Technical Report, 1984 Superacid Catalyzed Coal Conversion Chemistry. Final Technical Report

Energy sources of polycyclic aromatic hydrocarbons. [Carcinogenicity of PAHs

DOE Office of Scientific and Technical Information (OSTI.GOV)

Guerin, M. R.

1977-01-01

Combustion is the predominant end-process by which fossil fuels are converted to energy. Combustion, particularly when inefficient, is also the primary technological source of polycyclic aromatic hydrocarbons (PAHs) released into the environment. The need for liquid fuels to supply the transportation industry and for nonpolluting fuels for heat and power generation provide the incentive to commercialize processes to convert coal to substitute natural gas and oil. These processes represent a potentially massive new source of environmental PAHs. Insuring an adequate supply of energy with minimum impact on the environment and on health is one of the most important, urgent, andmore » challenging goals currently facing science and technology. Polycyclic aromatic hydrocarbon related carcinogenesis is among the most important of possible occupational- and environmental-health impacts of much of the current and projected national energy base. An understanding of the relationship of polycyclic aromatic hydrocarbons (PAHs) to human cancer and a continued surveillance of energy sources for PAH content are necessary to minimize this impact.« less

Method for in situ combustion

DOEpatents

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

1977-01-01

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

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

DOE PAGES

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

2003-01-01

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

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

NASA Astrophysics Data System (ADS)

Hassouni, Khaled

2013-09-01

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

Hybrid lean premixing catalytic combustion system for gas turbines

DOEpatents

Critchley, Ian L.

2003-12-09

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

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

DOEpatents

Kass, Michael D [Oak Ridge, TN

2007-07-24

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

Physics and chemistry of plasma-assisted combustion.

PubMed

Starikovskiy, Andrey

2015-08-13

There are several mechanisms that affect a gas when using discharge plasma to initiate combustion or to stabilize a flame. There are two thermal mechanisms-the homogeneous and inhomogeneous heating of the gas due to 'hot' atom thermalization and vibrational and electronic energy relaxation. The homogeneous heating causes the acceleration of the chemical reactions. The inhomogeneous heating generates flow perturbations, which promote increased turbulence and mixing. Non-thermal mechanisms include the ionic wind effect (the momentum transfer from an electric field to the gas due to the space charge), ion and electron drift (which can lead to additional fluxes of active radicals in the gradient flows in the electric field) and the excitation, dissociation and ionization of the gas by e-impact, which leads to non-equilibrium radical production and changes the kinetic mechanisms of ignition and combustion. These mechanisms, either together or separately, can provide additional combustion control which is necessary for ultra-lean flames, high-speed flows, cold low-pressure conditions of high-altitude gas turbine engine relight, detonation initiation in pulsed detonation engines and distributed ignition control in homogeneous charge-compression ignition engines, among others. Despite the lack of knowledge in mechanism details, non-equilibrium plasma demonstrates great potential for controlling ultra-lean, ultra-fast, low-temperature flames and is extremely promising technology for a very wide range of applications. © 2015 The Author(s) Published by the Royal Society. All rights reserved.

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

NASA Astrophysics Data System (ADS)

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.

Combustion Fundamentals Research

NASA Technical Reports Server (NTRS)

1984-01-01

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

Performance of PAHs emission from bituminous coal combustion.

PubMed

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

2004-12-01

Carcinogenic and mutagenic polycyclic aromatic hydrocarbons (PAHs) generated in coal combustion have caused great environmental health concern. Seventeen PAHs (16 high priority PAHs recommended by USEPA plus Benzo[e]pyrene) present in five raw bituminous coals and released during bituminous coal combustion were studied. The effects of combustion temperature, gas atmosphere, and chlorine content of raw coal on PAHs formation were investigated. Two additives (copper and cupric oxide) were added when the coal was burned. The results indicated that significant quantities of PAHs were produced from incomplete combustion of coal pyrolysis products at high temperature, and that temperature is an important causative factor of PAHs formation. PAHs concentrations decrease with the increase of chlorine content in oxygen or in nitrogen atmosphere. Copper and cupric oxide additives can promote PAHs formation (especially the multi-ring PAHs) during coal combustion.

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

DOE PAGES

Storey, John Morse; Curran, Scott J.; Lewis, Samuel A.; ...

2016-08-04

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

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

DOE Office of Scientific and Technical Information (OSTI.GOV)

Storey, John Morse; Curran, Scott J.; Lewis, Samuel A.

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

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

DOEpatents

Gorin, Everett

1979-01-01

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

Photographic combustion characterization of LOX/hydrocarbon type propellants

NASA Technical Reports Server (NTRS)

Judd, D. C.

1979-01-01

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

Combustion Science for Cleaner Fuels

DOE Office of Scientific and Technical Information (OSTI.GOV)

Ahmed, Musahid

2014-10-17

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

Combustion Science for Cleaner Fuels

ScienceCinema

Ahmed, Musahid

2018-01-16

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

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

NASA Technical Reports Server (NTRS)

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

1955-01-01

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

Propellant Chemistry for CFD Applications

NASA Technical Reports Server (NTRS)

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

1996-01-01

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

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

ERIC Educational Resources Information Center

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…

Provisional Guidance for Quantitative Risk Assessment of Polycyclic Aromatic Hydrocarbons

EPA Science Inventory

Polycyclic Aromatic Hydrocarbons (PAHs) are products of incomplete combustion of organic materials; sources are, thus, widespread,including cigarette smoke, municipal waste incineration, wood stove emissions, coal conversion, energy production form fossil fuels, and automobile an...

A Novel Philosophy for a First Course in Organic Chemistry.

ERIC Educational Resources Information Center

Newman, Melvin S.

1982-01-01

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

Fuel-rich catalytic combustion of Jet-A fuel-equivalence ratios 5.0 to 8.0

NASA Technical Reports Server (NTRS)

Brabbs, Theodore A.; Gracia-Salcedo, Carmen M.

1989-01-01

Fuel-rich catalytic combustion (E.R. greater than 5.0) is a unique technique for preheating a hydrocarbon fuel to temperatures much higher than those obtained by conventional heat exchangers. In addition to producing very reactive molecules, the process upgrades the structure of the fuel by the formation of hydrogen and smaller hydrocarbons and produces a cleaner burning fuel by removing some of the fuel carbon from the soot formation chain. With fuel-rich catalytic combustion as the first stage of a two stage combustion system, enhanced fuel properties can be utilized by both high speed engines, where time for ignition and complete combustion is limited, and engines where emission of thermal NO sub x is critical. Two-stage combustion (rich-lean) has been shown to be effective for NO sub x reduction in stationary burners where residence times are long enough to burn-up the soot formed in the first stage. Such residence times are not available in aircraft engines. Thus, the soot-free nature of the present process is critical for high speed engines. The successful application of fuel-rich catalytic combustion to Jet-A, a multicomponent fuel used in gas turbine combustors, is discusssed.

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

NASA Astrophysics Data System (ADS)

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

2014-02-01

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

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

NASA Technical Reports Server (NTRS)

Hicks, Yolanda Royce

1996-01-01

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

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

NASA Astrophysics Data System (ADS)

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.

Comprehensive kinetic model for the low-temperature oxidation of hydrocarbons

DOE Office of Scientific and Technical Information (OSTI.GOV)

Gaffuri, P.; Faravelli, T.; Ranzi, E.

1997-05-01

The oxidation chemistry in the low- and intermediate-temperature regimes (600--900 K) is important and plays a significant role in the overall combustion process. Autoignition in diesel engines as well as end-gas autoignition and knock phenomena in s.i. engines are initiated at these low temperatures. The low-temperature oxidation chemistry of linear and branched alkanes is discussed with the aim of unifying their complex behavior in various experimental systems using a single detailed kinetic model. New experimental data, obtained in a pressurized flow reactor, as well as in batch- and jet-stirred reactors, are useful for a better definition of the region ofmore » cool flames and negative temperature coefficient (NTC) for pure hydrocarbons from propane up to isooctane. Thermochemical oscillations and the NTC region of the reaction rate of the low-temperature oxidation of n-heptane and isooctane in a jet-stirred flow reactor are reproduced quite well by the model, not only in a qualitative way but in terms of the experimental frequencies and intensities of cool flames. Very good agreement is also observed for fuel conversion and intermediate-species formation. Irrespective of the experimental system, the same critical reaction steps always control these phenomena. The results contribute to the definition of a limited set of fundamental kinetic parameters that should be easily extended to model heavier alkanes.« less

Control of harmful hydrocarbon species in the exhaust of modern advanced GDI engines

NASA Astrophysics Data System (ADS)

Hasan, A. O.; Abu-jrai, A.; Turner, D.; Tsolakis, A.; Xu, H. M.; Golunski, S. E.; Herreros, J. M.

2016-03-01

A qualitative and quantitative analysis of toxic but currently non-regulated hydrocarbon compounds ranging from C5-C11, before and after a zoned three-way catalytic converter (TWC) in a modern gasoline direct injection (GDI) engine has been studied using gas chromatography-mass spectrometry (GC-MS). The GDI engine has been operated under conventional and advanced combustion modes, which result in better fuel economy and reduced levels of NOx with respect to standard SI operation. However, these fuel-efficient conditions are more challenging for the operation of a conventional TWC, and could lead to higher level of emissions released to the environment. Lean combustion leads to the reduction in pumping losses, fuel consumption and in-cylinder emission formation rates. However, lean HCCI will lead to high levels of unburnt HCs while the presence of oxygen will lower the TWC efficiency for NOx control. The effect on the catalytic conversion of the hydrocarbon species of the addition of hydrogen upstream the catalyst has been also investigated. The highest hydrocarbon engine-out emissions were produced for HCCI engine operation at low engine load operation. The catalyst was able to remove most of the hydrocarbon species to low levels (below the permissible exposure limits) for standard and most of the advanced combustion modes, except for naphthalene (classified as possibly carcinogenic to humans by the International Agency for Research on Cancer) and methyl-naphthalene (which has the potential to cause lung damage). However, when hydrogen was added upstream of the catalyst, the catalyst conversion efficiency in reducing methyl-naphthalene and naphthalene was increased by approximately 21%. This results in simultaneous fuel economy and environmental benefits from the effective combination of advanced combustion and novel aftertreatment systems.

Molecular structure of photosynthetic microbial biofuels for improved engine combustion and emissions characteristics.

PubMed

Hellier, Paul; Purton, Saul; Ladommatos, Nicos

2015-01-01

The metabolic engineering of photosynthetic microbes for production of novel hydrocarbons presents an opportunity for development of advanced designer biofuels. These can be significantly more sustainable, throughout the production-to-consumption lifecycle, than the fossil fuels and crop-based biofuels they might replace. Current biofuels, such as bioethanol and fatty acid methyl esters, have been developed primarily as drop-in replacements for existing fossil fuels, based on their physical properties and autoignition characteristics under specific combustion regimes. However, advances in the genetic engineering of microalgae and cyanobacteria, and the application of synthetic biology approaches offer the potential of designer strains capable of producing hydrocarbons and oxygenates with specific molecular structures. Furthermore, these fuel molecules can be designed for higher efficiency of energy release and lower exhaust emissions during combustion. This paper presents a review of potential fuel molecules from photosynthetic microbes and the performance of these possible fuels in modern internal combustion engines, highlighting which modifications to the molecular structure of such fuels may enhance their suitability for specific combustion regimes.

Molecular Structure of Photosynthetic Microbial Biofuels for Improved Engine Combustion and Emissions Characteristics

PubMed Central

Hellier, Paul; Purton, Saul; Ladommatos, Nicos

2015-01-01

The metabolic engineering of photosynthetic microbes for production of novel hydrocarbons presents an opportunity for development of advanced designer biofuels. These can be significantly more sustainable, throughout the production-to-consumption lifecycle, than the fossil fuels and crop-based biofuels they might replace. Current biofuels, such as bioethanol and fatty acid methyl esters, have been developed primarily as drop-in replacements for existing fossil fuels, based on their physical properties and autoignition characteristics under specific combustion regimes. However, advances in the genetic engineering of microalgae and cyanobacteria, and the application of synthetic biology approaches offer the potential of designer strains capable of producing hydrocarbons and oxygenates with specific molecular structures. Furthermore, these fuel molecules can be designed for higher efficiency of energy release and lower exhaust emissions during combustion. This paper presents a review of potential fuel molecules from photosynthetic microbes and the performance of these possible fuels in modern internal combustion engines, highlighting which modifications to the molecular structure of such fuels may enhance their suitability for specific combustion regimes. PMID:25941673

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

PubMed Central

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

1993-01-01

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

The Effects of Sooting and Radiation on Droplet Combustion

NASA Technical Reports Server (NTRS)

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.

Mid-IR fiber optic sensors for internal combustion engines

NASA Astrophysics Data System (ADS)

Hall, Matthew J.

1999-12-01

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

Sources of hydrocarbons in urban road dust: Identification, quantification and prediction.

PubMed

Mummullage, Sandya; Egodawatta, Prasanna; Ayoko, Godwin A; Goonetilleke, Ashantha

2016-09-01

Among urban stormwater pollutants, hydrocarbons are a significant environmental concern due to their toxicity and relatively stable chemical structure. This study focused on the identification of hydrocarbon contributing sources to urban road dust and approaches for the quantification of pollutant loads to enhance the design of source control measures. The study confirmed the validity of the use of mathematical techniques of principal component analysis (PCA) and hierarchical cluster analysis (HCA) for source identification and principal component analysis/absolute principal component scores (PCA/APCS) receptor model for pollutant load quantification. Study outcomes identified non-combusted lubrication oils, non-combusted diesel fuels and tyre and asphalt wear as the three most critical urban hydrocarbon sources. The site specific variabilities of contributions from sources were replicated using three mathematical models. The models employed predictor variables of daily traffic volume (DTV), road surface texture depth (TD), slope of the road section (SLP), effective population (EPOP) and effective impervious fraction (EIF), which can be considered as the five governing parameters of pollutant generation, deposition and redistribution. Models were developed such that they can be applicable in determining hydrocarbon contributions from urban sites enabling effective design of source control measures. Copyright © 2016 Elsevier Ltd. All rights reserved.

Chemistry and combustion of fit-for-purpose biofuels.

PubMed

Rothamer, David A; Donohue, Timothy J

2013-06-01

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

Use of Chemi-Ionization to Calculate Temperature of Hydrocarbon Flame

NASA Astrophysics Data System (ADS)

Shaikin, A. P.; Galiev, I. R.

2018-04-01

In the present paper, we have experimentally studied the dependences of the maximum temperature of the hydrocarbon flame on the electron current (due to the flame chemi-ionization), the width of the turbulent combustion zone, and the amount and composition of the air-fuel mixture in the combustion chamber of variable volume. Based on the proposed formula, we have been also able to estimate the temperature and compare with its experimental value showing that the convergence has been more than 85% at an excess air factor value ranging from 0.8 to 1.15. The obtained results can be used to predict and monitor the maximum flame temperature in the combustion chamber of an internal combustion engine and other power plants by using the ionization probe.

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

PubMed

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

2014-03-01

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

Polynuclear aromatic hydrocarbons in forest fire smoke

Treesearch

Charles K. McMahon; Skevos N. Tsoukalas

1978-01-01

The occurrence of polynuclear aromatic hydrocarbons (PAH) in the combustion products of carbonaceous fuels is a well known phenomenon. Several PAW are known to be carcinogenic in animals. Benzo[a]pyrene (BaP) is the most well-known and studied compound of those classified by the National Academy of Science (NAS) as strongly carcinogenic. Ambient BaP concentrations...

Large eddy simulation modelling of combustion for propulsion applications.

PubMed

Fureby, C

2009-07-28

Predictive modelling of turbulent combustion is important for the development of air-breathing engines, internal combustion engines, furnaces and for power generation. Significant advances in modelling non-reactive turbulent flows are now possible with the development of large eddy simulation (LES), in which the large energetic scales of the flow are resolved on the grid while modelling the effects of the small scales. Here, we discuss the use of combustion LES in predictive modelling of propulsion applications such as gas turbine, ramjet and scramjet engines. The LES models used are described in some detail and are validated against laboratory data-of which results from two cases are presented. These validated LES models are then applied to an annular multi-burner gas turbine combustor and a simplified scramjet combustor, for which some additional experimental data are available. For these cases, good agreement with the available reference data is obtained, and the LES predictions are used to elucidate the flow physics in such devices to further enhance our knowledge of these propulsion systems. Particular attention is focused on the influence of the combustion chemistry, turbulence-chemistry interaction, self-ignition, flame holding burner-to-burner interactions and combustion oscillations.

Chemical Aspects of Astrophysically Observed Extraterrestrial Methanol, Hydrocarbon Derivatives, and Ions.

PubMed

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

2016-02-10

Astrophysically observed extraterrestrial molecular matter contains, besides hydrogen and water, methane and methanol as the most abundant species. Feasible pathways and chemical aspects of their formation as well as of derived hydrocarbon homologues and their ions (carbocations and carbanions) are discussed on the basis of observed similarities with our studied terrestrial chemistry. The preferred pathway for converting extraterrestrial methane according to Ali et al. is based on CH5(+) and Olah's related nonclassical carbonium ion chemistry. On the basis of the observed higher reactivity of methanol compared with methane in various chemical reactions, a feasible new pathway is proposed for the conversion of extraterrestrial methanol to hydrocarbons, their derivatives, and carbocations together with a possible connection with methonium ion-based chemistry.

Investigation on the effect of diaphragm on the combustion characteristics of solid-fuel ramjet

NASA Astrophysics Data System (ADS)

Gong, Lunkun; Chen, Xiong; Yang, Haitao; Li, Weixuan; Zhou, Changsheng

2017-10-01

The flow field characteristics and the regression rate distribution of solid-fuel ramjet with three-hole diaphragm were investigated by numerical and experimental methods. The experimental data were obtained by burning high-density polyethylene using a connected-pipe facility to validate the numerical model and analyze the combustion efficiency of the solid-fuel ramjet. The three-dimensional code developed in the present study adopted three-order MUSCL and central difference schemes, AUSMPW + flux vector splitting method, and second-order moment turbulence-chemistry model, together with k-ω shear stress transport (SST) turbulence model. The solid fuel surface temperature was calculated with fluid-solid heat coupling method. The numerical results show that strong circumferential flow exists in the region upstream of the diaphragm. The diaphragm can enhance the regression rate of the solid fuel in the region downstream of the diaphragm significantly, which mainly results from the increase of turbulent viscosity. As the diaphragm port area decreases, the regression rate of the solid fuel downstream of the diaphragm increases. The diaphragm can result in more sufficient mixing between the incoming air and fuel pyrolysis gases, while inevitably producing some pressure loss. The experimental results indicate that the effect of the diaphragm on the combustion efficiency of hydrocarbon fuels is slightly negative. It is conjectured that the diaphragm may have some positive effects on the combustion efficiency of the solid fuel with metal particles.

Combustion of droplets and sprays

NASA Astrophysics Data System (ADS)

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

2005-10-01

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

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

DOEpatents

Schmieg, Steven J; Viola, Michael B; Cheng, Shi-Wai S; Mulawa, Patricia A; Hilden, David L; Sloane, Thompson M; Lee, Jong H

2014-05-06

A method for monitoring a hydrocarbon-selective catalytic reactor device of an exhaust aftertreatment system of an internal combustion engine operating lean of stoichiometry includes injecting a reductant into an exhaust gas feedstream upstream of the hydrocarbon-selective catalytic reactor device at a predetermined mass flowrate of the reductant, and determining a space velocity associated with a predetermined forward portion of the hydrocarbon-selective catalytic reactor device. When the space velocity exceeds a predetermined threshold space velocity, a temperature differential across the predetermined forward portion of the hydrocarbon-selective catalytic reactor device is determined, and a threshold temperature as a function of the space velocity and the mass flowrate of the reductant is determined. If the temperature differential across the predetermined forward portion of the hydrocarbon-selective catalytic reactor device is below the threshold temperature, operation of the engine is controlled to regenerate the hydrocarbon-selective catalytic reactor device.

Parallel Performance of a Combustion Chemistry Simulation

DOE PAGES

Skinner, Gregg; Eigenmann, Rudolf

1995-01-01

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

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

NASA Astrophysics Data System (ADS)

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.

Simplified Modeling of Oxidation of Hydrocarbons

NASA Technical Reports Server (NTRS)

Bellan, Josette; Harstad, Kenneth

2008-01-01

A method of simplified computational modeling of oxidation of hydrocarbons is undergoing development. This is one of several developments needed to enable accurate computational simulation of turbulent, chemically reacting flows. At present, accurate computational simulation of such flows is difficult or impossible in most cases because (1) the numbers of grid points needed for adequate spatial resolution of turbulent flows in realistically complex geometries are beyond the capabilities of typical supercomputers now in use and (2) the combustion of typical hydrocarbons proceeds through decomposition into hundreds of molecular species interacting through thousands of reactions. Hence, the combination of detailed reaction- rate models with the fundamental flow equations yields flow models that are computationally prohibitive. Hence, further, a reduction of at least an order of magnitude in the dimension of reaction kinetics is one of the prerequisites for feasibility of computational simulation of turbulent, chemically reacting flows. In the present method of simplified modeling, all molecular species involved in the oxidation of hydrocarbons are classified as either light or heavy; heavy molecules are those having 3 or more carbon atoms. The light molecules are not subject to meaningful decomposition, and the heavy molecules are considered to decompose into only 13 specified constituent radicals, a few of which are listed in the table. One constructs a reduced-order model, suitable for use in estimating the release of heat and the evolution of temperature in combustion, from a base comprising the 13 constituent radicals plus a total of 26 other species that include the light molecules and related light free radicals. Then rather than following all possible species through their reaction coordinates, one follows only the reduced set of reaction coordinates of the base. The behavior of the base was examined in test computational simulations of the combustion of

Development of Atmospheric Chemistry-Aerosol Transport Model for Bioavailable Iron From Dust and Combustion Source

NASA Astrophysics Data System (ADS)

Ito, A.; Feng, Y.

2009-12-01

An accurate prediction of bioavailable iron fraction for ocean biota is hampered by uncertainties in modeling soluble iron fractions in atmospheric aerosols. It has been proposed that atmospheric processing of mineral aerosols by anthropogenic pollutants may be a key pathway to transform insoluble iron into soluble forms. The dissolution of dust minerals strongly depends on solution pH, which is sensitive to the heterogeneous uptake of soluble gases by the dust particle. Due to the complexity, previous model assessments generally use a common assumption in thermodynamical equilibrium between gas and aerosol phases. Here, we compiled an emission inventory of iron from combustion and dust source, and incorporated a dust iron dissolution scheme in a global chemistry-aerosol transport model (IMPACT). We will examine and discuss the uncertainties in estimation of dissolved iron as well as comparisons of the model results with available observations.

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

PubMed

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

2006-08-01

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

Occupational health and safety assessment of exposure to jet fuel combustion products in air medical transport.

PubMed

MacDonald, Russell D; Thomas, Laura; Rusk, Frederick C; Marques, Shauna D; McGuire, Dan

2010-01-01

Transport medicine personnel are potentially exposed to jet fuel combustion products. Setting-specific data are required to determine whether this poses a risk. This study assessed exposure to jet fuel combustion products, compared various engine ignition scenarios, and determined methods to minimize exposure. The Beechcraft King Air B200 turboprop aircraft equipped with twin turbine engines, using a kerosene-based jet fuel (Jet A-1), was used to measure products of combustion during boarding, engine startup, and flight in three separate engine start scenarios ("shielded": internal engine start, door closed; "exposed": ground power unit start, door open; and "minimized": ground power unit right engine start, door open). Real-time continuous monitoring equipment was used for oxygen, carbon dioxide, carbon monoxide, nitrogen dioxide, hydrogen sulfide, sulfur dioxide, volatile organic compounds, and particulate matter. Integrated methods were used for aldehydes, polycyclic aromatic hydrocarbons, volatile organic compounds, and aliphatic hydrocarbons. Samples were taken in the paramedic breathing zone for approximately 60 minutes, starting just before the paramedics boarded the aircraft. Data were compared against regulated time-weighted exposure thresholds to determine the presence of potentially harmful products of combustion. Polycyclic aromatic hydrocarbons, aldehydes, volatile organic compounds, and aliphatic hydrocarbons were found at very low concentrations or beneath the limits of detection. There were significant differences in exposures to particulates, carbon monoxide, and total volatile organic compound between the "exposed" and "minimized" scenarios. Elevated concentrations of carbon monoxide and total volatile organic compounds were present during the ground power unit-assisted dual-engine start. There were no appreciable exposures during the "minimized" or "shielded" scenarios. Air medical personnel exposures to jet fuel combustion products were

Addition agents effects on hydrocarbon fuels burning

NASA Astrophysics Data System (ADS)

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

2016-01-01

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

Real-time combustion control and diagnostics sensor-pressure oscillation monitor

DOEpatents

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.

TG-FTIR analysis on pyrolysis and combustion of marine sediment

NASA Astrophysics Data System (ADS)

Oudghiri, Fatiha; Allali, Nabil; Quiroga, José María; Rodríguez-Barroso, María Rocío

2016-09-01

In this paper, the pyrolysis and combustion of sediment have been compared using thermogravimetric analysis (TG) coupled with Fourier transform infrared spectrometry (TG-FTIR) analysis. The TG results showed that both the pyrolysis and combustion of sediment presented four weight loss stages, each. The evolving gaseous products during pyrolysis were H2O, CO2 and hydrocarbons, while combustion yielded considerable amounts of CO2, in addition to H2O, CO, Cdbnd C, Cdbnd O and NH3. Comparing the pyrolysis and combustion TG-FTIR curves, it is possible to evaluate the effect of oxygen presence in the temperature range of 200-600 °C, which increases the volatilisation rate of organic matter in sediment. For the better detection of organic and inorganic matter in sediment by TG-FTIR analysis it is recommended to work in combustion mode of sediment.

Practical application of computer programs for supersonic combustion

NASA Technical Reports Server (NTRS)

Groves, F. R., Jr.

1972-01-01

Experimental data were interpreted using two supersonic combustion computer programs. The P1 program is based on a conventional boundary layer treatment of the mixing of concentric gas streams and complete combustion chemistry. The H1 program is based on a modified boundary layer approach which accounts for radial pressure gradients in the flow and also incorporates a finite rate chemistry calculation. The objective of the investigation was to compare the experimental data with theoretical predictions of the two programs with special emphasis on the prediction of radial pressure gradients by the H1 program. A test of the H1 program was also desired through comparison with the experimental data and with the P1 program.

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

PubMed

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

2010-07-01

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

Fuel Chemistry And Combustion Distribution Effects On Rocket Engine Combustion Stability

DTIC Science & Technology

2013-01-01

105mm F/4.0 Quartz Lens) was attached to the UV intensifier. A Semrock interference filter (FF01-320/40-25) that had a transmission of 74% at 310...associated with combustion. Therefore, the light emitted by this radical can serve as a qualitative measure of local heat release. A Semrock 432/17...to the UV intensifier. A Semrock interference filter (FF01-320/40-25) that had a transmission of 74% at 310 nm was used to transmit OH fluorescence

LOX/hydrocarbon rocket engine analytical design methodology development and validation. Volume 1: Executive summary and technical narrative

NASA Technical Reports Server (NTRS)

Pieper, Jerry L.; Walker, Richard E.

1993-01-01

During the past three decades, an enormous amount of resources were expended in the design and development of Liquid Oxygen/Hydrocarbon and Hydrogen (LOX/HC and LOX/H2) rocket engines. A significant portion of these resources were used to develop and demonstrate the performance and combustion stability for each new engine. During these efforts, many analytical and empirical models were developed that characterize design parameters and combustion processes that influence performance and stability. Many of these models are suitable as design tools, but they have not been assembled into an industry-wide usable analytical design methodology. The objective of this program was to assemble existing performance and combustion stability models into a usable methodology capable of producing high performing and stable LOX/hydrocarbon and LOX/hydrogen propellant booster engines.

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

NASA Technical Reports Server (NTRS)

Schoenman, L.

1983-01-01

A data base which relates candidate design variables, such as injector type, acoustic cavity configuration, chamber length, fuel film-cooling, etc., to operational characteristics such as combustion efficiency, combustion stability, carbon deposition, and chamber gas-side heat flux was generated.

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

PubMed

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 < 1-pentene < 2M2B. This comparative study enables valuable insights into 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.

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

PubMed

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

Sonolysis of hydrocarbons in aqueous solution

NASA Astrophysics Data System (ADS)

Hart, Edwin J.; Fischer, Christian-Herbert; Henglein, Arnim

Water was irradiated with 300 kHz ultrasound under an argon atmosphere containing various amounts of methane and ethane. Limited studies were also made on ethylene, acetylene, propane and butane. The methane and ethane irradiations were carried out over the hydrocarbon-argon range of 2-100%. Maximum decomposition occurs at 15% for methane and 10% for ethane. While hydrogen is a dominant product in both cases, acetylene, ethylene and ethane are prominent products, too. Propane, propene and propin form in lesser quantities. 2-methyl-propane, n-butane, l-butene, 2-methyl-butene, butadiene and n-butin have also been identified. These hydrocarbons are similar to those found in pyrolysis and in fuel rich combustion experiments. Carbon monoxide is an important product at hydrocarbon concentrations less than 40% establishing water was an oxygen delivering reactant under these conditions. In the case of methane, the ratio of ethylene plus acetylene to ethane is used to estimate the effective temperature in the cavitation bubble. A temperature of about 2800 K is obtained for bubbles containing argon (plus water vapor and 20% CH 4) and T = 2000 K for pure methane. The rate of decomposition for unsaturated hydrocarbons is substantially greater than for the saturated ones. Low molecular weight products are mainly formed from saturated hydrocarbons whereas polymerization products are mainly formed from the unsaturated hydrocarbons. The decomposition of acetylene in argon bubbles is one of the fastest sonolytic processes.

Chemical and biological availability of hydrocarbons in urban harbor sediments

USGS Publications Warehouse

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

2002-01-01

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

Fuel Chemistry And Combustion Distribution Effects On Rocket Engine Combustion Stability

DTIC Science & Technology

2015-11-19

UV1054B 105mm F/4.0 Quartz Lens) was attached to the UV intensifier. A Semrock interference filter (FF01-320/40-25) that had a transmission of 74% at 310...associated with combustion. Therefore, the light emitted by this radical can serve as a qualitative measure of local heat release. A Semrock 432/17...UV1054B 105mm F/4.0 Quartz Lens) was attached to the UV intensifier. A Semrock interference filter (FF01-320/40-25) that had a transmission of 74

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

PubMed Central

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

2015-01-01

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

Assessment of organic contaminants in emissions from refuse-derived fuel combustion

DOE Office of Scientific and Technical Information (OSTI.GOV)

Chrostowski, J.; Wait, D.; Kwong, E.

1985-09-01

Organic contaminants in emissions from refuse-derived fuel combustion were investigated in a 20-inch-diameter atmospheric fluidized-bed combustor. Combinations of coal/EcoFuel/MSW/toluene were burned inthe combustor with temperatures ranging from 1250 to 1550 degrees F. A Source Assessment Sampling System (SASS) was used to sample the stack gas; Level 1 methodology was used to analyze the organic-contaminant levels. Combustion efficiencies of 93 to 98 percent were achieved in the test burns. Combustion of the EcoFuel generated fewer organic emissions than combustion of coal at similar combustion temperatures. The fine particulate collected by the SASS train filter contained higher concentrations of extractable organics thanmore » the reactor fly ash and the SASS cyclone samples. Combustion of a toluene/EcoFuel mix generated a large number of benzene derivatives not seen in the combustion of pure EcoFuel. Polycyclic aromatic hydrocarbons were the dominant organic compounds contained in the XAD-2 resin extract from coal combustion. A number of different priority pollutants were identified in the samples collected.« less

Indoor Spatial Monitoring of Combustion Generated Pollutants (TSP, CO, and BaP) by Indian Cookstoves

DTIC Science & Technology

1988-07-01

various building materials and consumer products, and combustion appliances. People and pets normally emit C02 , moisture, odors, and microbes. Tobacco ...fuels Group II. Sources both indoor and outdoor: Nitric oxide, nitrogen dioxide Fuel-burning, tobacco smoke Polycyclic hydrocarbons Fuel-burning, tobacco ...smoke Carbon monoxide Fuel-burning, tobacco smoke Carbon dioxide Metabolic activity, combustion Suspended particulate matter Resuspension

Plasma Assisted Combustion Mechanism for Small Hydrocarbons

DTIC Science & Technology

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

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

NASA Technical Reports Server (NTRS)

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

2000-01-01

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

Gas Phase Combustion Chemistry of Nitramine Propellants

DTIC Science & Technology

1988-03-01

structure because the fuel and oxidizer are thoroughly mixed prior to combustion, and thus, there are no large concentration gradients to produce a...fluorescence excitation with the frequency doubled and/or mixed output of a Nd:YAG pumped dye laser. The apparatus was first tested by observing the OH...will mix this surface with the other exit channel surfaces (8 in all) as their energien asymptotically approach one another. The presence of a

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

NASA Astrophysics Data System (ADS)

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

2015-12-01

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

Organic Experiments for Introductory Chemistry.

ERIC Educational Resources Information Center

Rayner-Canham, Geoff

1985-01-01

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

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

NASA Technical Reports Server (NTRS)

Nguyen, H. Lee; Wey, Ming-Jyh

1990-01-01

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

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

NASA Technical Reports Server (NTRS)

Nguyen, H. Lee; Wey, Ming-Jyh

1990-01-01

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

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

NASA Technical Reports Server (NTRS)

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

1987-01-01

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

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

PubMed Central

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

2011-01-01

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

Molecular tracers of saturated and polycyclic aromatic hydrocarbon inputs into Central Park Lake, New York City.

PubMed

Yan, Beizhan; Abrajano, Teofilo A; Bopp, Richard F; Chaky, Damon A; Benedict, Lucille A; Chillrud, Steven N

2005-09-15

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 [FI/(FI + Py)] provide additional source discrimination throughoutthe 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 FI/(FI + 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.

Source term evaluation for combustion modeling

NASA Technical Reports Server (NTRS)

Sussman, Myles A.

1993-01-01

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

Combustion and flow modelling applied to the OMV VTE

NASA Technical Reports Server (NTRS)

Larosiliere, Louis M.; Jeng, San-Mou

1990-01-01

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

Aviation combustion toxicology: an overview.

PubMed

Chaturvedi, Arvind K

2010-01-01

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

Filtered Density Function for Subgrid Scale Modeling of Turbulent Combustion

DTIC Science & Technology

2009-02-25

and Plasma Chemistry (Russian), 6(1), 1-6 (2008). M.R.H. Sheikhi, P. Givi and S.B. Pope, "Joint Velocity-Scalar Filtered Mass Density Function for...4th International Symposium on Combustion and Plasma Chemistry , pp. 18-20, Almaty, Kazakhstan, September 12-14, 2007. M.R.H. Sheikhi, P. Givi and

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

PubMed Central

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

2013-01-01

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

Halogen-Mediated Conversion of Hydrocarbons to Commodities.

PubMed

Lin, Ronghe; Amrute, Amol P; Pérez-Ramírez, Javier

2017-03-08

Halogen chemistry plays a central role in the industrial manufacture of various important chemicals, pharmaceuticals, and polymers. It involves the reaction of halogens or halides with hydrocarbons, leading to intermediate compounds which are readily converted to valuable commodities. These transformations, predominantly mediated by heterogeneous catalysts, have long been successfully applied in the production of polymers. Recent discoveries of abundant conventional and unconventional natural gas reserves have revitalized strong interest in these processes as the most cost-effective gas-to-liquid technologies. This review provides an in-depth analysis of the fundamental understanding and applied relevance of halogen chemistry in polymer industries (polyvinyl chloride, polyurethanes, and polycarbonates) and in the activation of light hydrocarbons. The reactions of particular interest include halogenation and oxyhalogenation of alkanes and alkenes, dehydrogenation of alkanes, conversion of alkyl halides, and oxidation of hydrogen halides, with emphasis on the catalyst, reactor, and process design. Perspectives on the challenges and directions for future development in this exciting field are provided.

Introductory lecture. Advanced laser spectroscopy in combustion chemistry: from elementary steps to practical devices.

PubMed

Wolfrum, J

2001-01-01

In recent years a large number of linear and nonlinear laser-based diagnostic techniques for nonintrusive measurements of species concentrations, temperatures, and gas velocities in a wide pressure and temperature range with high temporal and spatial resolution have been developed and have become extremely valuable tools to study many aspects of combustion. Beside the nonintrusive diagnostics of technical combustion devices the kinetics and microscopic dynamics of elementary chemical combustion reactions can be investigated in great detail by laser spectroscopy. These investigations show, that a small number of relatively simple elementary steps like H + O2-->OH + O, H2O2-->2OH, O + N2-->NO + N, NH2 + NO-->H2O + N2, OH + N2H control a large variety of combustion phenomena and pollutant formation processes. Laminar flames are ideal objects to develop the application of laser spectroscopic methods for practical combustion systems and to test and improve the gas-phase reaction mechanism in combustion models. Nonintrusive laser point and field measurements are of basic importance in the validation and further development of turbulent combustion models. Nonlinear laser spectroscopic techniques using infrared-visible sum-frequency generation can now bridge the pressure and materials gap to provide kinetic data for catalytic combustion. Finally, the potential of laser techniques for active combustion control in municipal waste incinerators is illustrated.

Time-resolved analysis of particle emissions from residential biomass combustion - Emissions of refractory black carbon, PAHs and organic tracers

NASA Astrophysics Data System (ADS)

Nielsen, Ingeborg E.; Eriksson, Axel C.; Lindgren, Robert; Martinsson, Johan; Nyström, Robin; Nordin, Erik Z.; Sadiktsis, Ioannis; Boman, Christoffer; Nøjgaard, Jacob K.; Pagels, Joakim

2017-09-01

Time-resolved particle emissions from a conventional wood stove were investigated with aerosol mass spectrometry to provide links between combustion conditions, emission factors, mixing state of refractory black carbon and implications for organic tracer methods. The addition of a new batch of fuel results in low temperature pyrolysis as the fuel heats up, resulting in strong, short-lived, variable emission peaks of organic aerosol-containing markers of anhydrous sugars, such as levoglucosan (fragment at m/z 60). Flaming combustion results in emissions dominated by refractory black carbon co-emitted with minor fractions of organic aerosol and markers of anhydrous sugars. Full cycle emissions are an external mixture of larger organic aerosol-dominated and smaller thinly coated refractory black carbon particles. A very high burn rate results in increased full cycle mass emission factors of 66, 2.7, 2.8 and 1.3 for particulate polycyclic aromatic hydrocarbons, refractory black carbon, total organic aerosol and m/z 60, respectively, compared to nominal burn rate. Polycyclic aromatic hydrocarbons are primarily associated with refractory black carbon-containing particles. We hypothesize that at very high burn rates, the central parts of the combustion zone become air starved, leading to a locally reduced combustion temperature that reduces the conversion rates from polycyclic aromatic hydrocarbons to refractory black carbon. This facilitates a strong increase of polycyclic aromatic hydrocarbons emissions. At nominal burn rates, full cycle emissions based on m/z 60 correlate well with organic aerosol, refractory black carbon and particulate matter. However, at higher burn rates, m/z 60 does not correlate with increased emissions of polycyclic aromatic hydrocarbons, refractory black carbon and organic aerosol in the flaming phase. The new knowledge can be used to advance source apportionment studies, reduce emissions of genotoxic compounds and model the climate impacts of

Mechanism of plasma-assisted ignition for H2 and C1-C5 hydrocarbons

NASA Astrophysics Data System (ADS)

Starikovskiy, Andrey; Aleksandrov, Nikolay

2016-09-01

Nonequilibrium plasma demonstrates ability to control ultra-lean, ultra-fast, low-temperature flames and appears to be an extremely promising technology for a wide range of applications, including aviation GTEs, piston engines, ramjets, scramjets and detonation initiation for pulsed detonation engines. To use nonequilibrium plasma for ignition and combustion in real energetic systems, one must understand the mechanisms of plasma-assisted ignition and combustion and be able to numerically simulate the discharge and combustion processes under various conditions. A new, validated mechanism for high-temperature hydrocarbon plasma assisted combustion was built and allows to qualitatively describe plasma-assisted combustion close and above the self-ignition threshold. The principal mechanisms of plasma-assisted ignition and combustion have been established and validated for a wide range of plasma and gas parameters. These results provide a basis for improving various energy-conversion combustion systems, from automobile to aircraft engines, using nonequilibrium plasma methods.

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

PubMed

Comandini, A; Malewicki, T; Brezinsky, K

2012-03-01

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

Microjet burners for molecular-beam sources and combustion studies

NASA Astrophysics Data System (ADS)

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.

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

NASA Technical Reports Server (NTRS)

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

1977-01-01

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

Modeling complex chemical effects in turbulent nonpremixed combustion

NASA Technical Reports Server (NTRS)

Smith, Nigel S. A.

1995-01-01

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

Thermogravimetric-mass spectrometric analysis on combustion of lignocellulosic biomass.

PubMed

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

2013-09-01

Combustion characteristics of biomass main components and three lignocellulosic biomass (fir wood, eucalyptus wood and pine bark) were investigated by thermogravimetric analysis coupled with mass spectrometry. The combustion of biomass was divided into two main steps, devolatilization and char oxidation stage. Heating rate effect was also studied. Generally, the higher the heating rate, the higher the decomposition temperature. Furthermore, the weight loss rate decreased due to particle temperature gradients. Combustion kinetics were studied. Models based on reaction order (Oi), nucleation (Ni) and diffusion (Di) achieved the best fitting to the experimental data. Cellulose oxidation presented the highest activation energies. CO, CO2 and H2O were the main components evolved from combustion. Additionally, light hydrocarbons (CH4 and C2H5) were also present. Finally, nitrogen compounds were in a higher proportion than sulfur compounds being released as primary amines and NOx. Copyright © 2013 Elsevier Ltd. All rights reserved.

Investigation of the ignition of liquid hydrocarbon fuels with nanoadditives

NASA Astrophysics Data System (ADS)

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.

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

PubMed

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

2015-06-01

The environmental pollution and health impacts caused by the primitive and crude recycling of e-waste have become urgent global issues. Guiyu, China is a major hotspot of e-waste recycling. In this study, the levels and distribution of polycyclic aromatic hydrocarbons in soil in Guiyu were determined to investigate the effect of e-waste activities on the environment and to identify possible sources of these pollutants. Sediment samples from a local duck pond, water gullies, a river tributary, and combusted residue from e-waste burning sites were also investigated. The general trend found in soil (Σ16 PAHs) was acid leaching site > duck pond > rice field > printer roller dump site > reservoir (control site) and ranged from 95.2 ± 54.2 to 5,210 ± 89.6 ng/g (dry wt). The highest average total PAH concentrations were found in combusted residues of wires, cables, and other computer electrical components located at two e-waste open burning sites (18,600 and 10,800 ± 3,940 ng/g). These were 195- and 113-fold higher than the PAH concentrations of soil at the control site. Sediment PAH concentrations ranged from 37.2 ± 6 to 534 ± 271 ng/g. Results of this study provide further evidence of significant input of PAHs to the environment attributed to crude e-waste recycling.

Chemistry and the Internal Combustion Engine II: Pollution Problems.

ERIC Educational Resources Information Center

Hunt, C. B.

1979-01-01

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

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

NASA Technical Reports Server (NTRS)

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

1951-01-01

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

Future Directions of Supersonic Combustion Research: Air Force/NASA Workshop on Supersonic Combustion

NASA Technical Reports Server (NTRS)

Tishkoff, Julian M.; Drummond, J. Philip; Edwards, Tim; Nejad, Abdollah S.

1997-01-01

The Air Force Office of Scientific Research, the Air Force Wright Laboratory Aero Propulsion and Power Directorate, and the NASA Langley Research Center held a joint supersonic combustion workshop on 14-16 May 1996. The intent of this meeting was to: (1) examine the current state-of-the-art in hydrocarbon and/or hydrogen fueled scramjet research; (2) define the future direction and needs of basic research in support of scramjet technology; and (3) when appropriate, help transition basic research findings to solve the needs of developmental engineering programs in the area of supersonic combustion and fuels. A series of topical sessions were planned. Opening presentations were designed to focus and encourage group discussion and scientific exchange. The last half-day of the workshop was set aside for group discussion of the issues that were raised during the meeting for defining future research opportunities and directions. The following text attempts to summarize the discussions that took place at the workshop.

Experimental and analytical study of nitric oxide formation during combustion of propane in a jet-stirred combustor

NASA Technical Reports Server (NTRS)

Wakelyn, N. T.; Jachimowski, C. J.; Wilson, C. H.

1978-01-01

A jet-stirred combustor, constructed of castable zirconia and with an Inconel injector, was used to study nitric oxide formation in propane-air combustion with residence times in the range from 3.2 to 3.3 msec and equivalence ratios varying from 0.7 to 1.4. Measurements were made of combustor operating temperature and of nitric oxide concentration. Maximum nitric oxide concentrations of the order of 55 ppm were found in the range of equivalence ratio from 1.0 to 1.1. A finite-rate chemical kinetic mechanism for propane combustion and nitric oxide formation was assembled by coupling an existing propane oxidation mechanism with the Zeldovich reactions and reactions of molecular nitrogen with hydrocarbon fragments. Analytical studies using this mechanism in a computer simulation of the experimental conditions revealed that the hydrocarbon-fragment-nitrogen reactions play a significant role in nitric oxide formation during fuel-rich combustion.

Organic chemistry in the atmosphere. [laboratory modeling of Titan atmosphere

NASA Technical Reports Server (NTRS)

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.

Soot Formation in Hydrocarbon/Air Laminar Jet Diffusion Flames

NASA Technical Reports Server (NTRS)

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

1994-01-01

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

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

USGS Publications Warehouse

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.

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

PubMed

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

2002-02-15

Laboratory experiments were conducted in a two-stage horizontal muffle furnace in order to monitor emissions from batch combustion of polystyrene (PS) and identify conditions that minimize them. PS is a dominant component of municipal and hospital waste streams. Bench-scale combustion of small samples (0.5 g) of shredded styrofoam cups was conducted in air, using an electrically heated horizontal muffle furnace, kept at Tgas = 1000 degrees C. Upon devolatilization, combustion of the polymer took place in a diffusion flame over the sample. The gaseous combustion products were mixed with additional air in a venturi and were channeled to a secondary muffle furnace (afterburner) kept at Tgas = 900-1100 degrees C; residence time therein varied between 0.6 and 0.8 s. At the exits of the primary and the secondary furnace the emissions of CO, CO2, O2, NOx, particulates as well as volatile and semivolatile hydrocarbons, such as polycyclic aromatic hydrocarbons (PAH), were monitored. Online analyzers, gravimetric techniques, and gas chromatography coupled to mass spectrometry (GC-MS) were used. Experiments were also conducted with a high-temperature barrier filter, placed just before the exit of the primary furnace to prevent the particulates from entering into the secondary furnace. Results demonstrated the beneficial effect of the afterburner in reducing PAH concentrations, including those of mutagenic species such as benzo[a]pyrene. Concentrations of individual PAH exhibited a pronounced after burner temperature dependence, typically ranging from a small decrease at 900 degrees C to a larger degree of consumption at 1100 degrees C. Consumption of PAH was observed to be the dominant feature at 900 degrees C, while significant quantities of benzene and some of its derivatives, captured by means of carbosieve/Carbotrap adsorbents, were formed in the afterburner at a temperature of 1000 degrees C. In the primary furnace, about 30% of the mass of the initial polystyrene was

Combustion characteristics of gas turbine alternative fuels

NASA Technical Reports Server (NTRS)

Rollbuhler, R. James

1987-01-01

An experimental investigation was conducted to obtain combustion performance values for specific heavyend, synthetic hydrocarbon fuels. A flame tube combustor modified to duplicate an advanced gas turbine engine combustor was used for the tests. Each fuel was tested at steady-state operating conditions over a range of mass flow rates, fuel-to-air mass ratio, and inlet air temperatures. The combustion pressure, as well as the hardware, were kept nearly constant over the program test phase. Test results were obtained in regards to geometric temperature pattern factors as a function of combustor wall temperatures, the combustion gas temperature, and the combustion emissions, both as affected by the mass flow rate and fuel-to-air ratio. The synthetic fuels were reacted in the combustor such that for most tests their performance was as good, if not better, than the baseline gasoline or diesel fuel tests. The only detrimental effects were that at high inlet air temperature conditions, fuel decomposition occurred in the fuel atomizing nozzle passages resulting in blockage. And the nitrogen oxide emissions were above EPA limits at low flow rate and high operating temperature conditions.

A comprehensive combustion model for biodiesel-fueled engine simulations

NASA Astrophysics Data System (ADS)

Brakora, Jessica L.

Engine models for alternative fuels are available, but few are comprehensive, well-validated models that include accurate physical property data as well as a detailed description of the fuel chemistry. In this work, a comprehensive biodiesel combustion model was created for use in multi-dimensional engine simulations, specifically the KIVA3v R2 code. The model incorporates realistic physical properties in a vaporization model developed for multi-component fuel sprays and applies an improved mechanism for biodiesel combustion chemistry. A reduced mechanism was generated from the methyl decanoate (MD) and methyl-9-decenoate (MD9D) mechanism developed at Lawrence Livermore National Laboratory. It was combined with a multi-component mechanism to include n-heptane in the fuel chemistry. The biodiesel chemistry was represented using a combination of MD, MD9D and n-heptane, which varied for a given fuel source. The reduced mechanism, which contained 63 species, accurately predicted ignition delay times of the detailed mechanism over a range of engine-specific operating conditions. Physical property data for the five methyl ester components of biodiesel were added to the KIVA library. Spray simulations were performed to ensure that the models adequately reproduce liquid penetration observed in biodiesel spray experiments. Fuel composition impacted liquid length as expected, with saturated species vaporizing more and penetrating less. Distillation curves were created to ensure the fuel vaporization process was comparable to available data. Engine validation was performed against a low-speed, high-load, conventional combustion experiments and the model was able to predict the performance and NOx formation seen in the experiment. High-speed, low-load, low-temperature combustion conditions were also modeled, and the emissions (HC, CO, NOx) and fuel consumption were well-predicted for a sweep of injection timings. Finally, comparisons were made between the results of biodiesel

Economics of electron beam and electrical discharge processing for post-combustion NO(x) control in internal combustion engines

NASA Astrophysics Data System (ADS)

Penetrante, B. M.

1993-08-01

The physics and chemistry of non-thermal plasma processing for post-combustion NO(x) control in internal combustion engines are discussed. A comparison of electron beam and electrical discharge processing is made regarding their power consumption, radical production, NO(x) removal mechanisms, and by-product formation. Pollution control applications present a good opportunity for transferring pulsed power techniques to the commercial sector. However, unless advances are made to drastically reduce the price and power consumption of electron beam sources and pulsed power systems, these plasma techniques will not become commercially competitive with conventional thermal or surface-catalytic methods.

Auto-ignition of hydrocarbons behind reflected shock waves.

NASA Technical Reports Server (NTRS)

Vermeer, D. J.; Meyer, J. W.; Oppenheim, A. K.

1972-01-01

The paper reports on the study of auto-ignition of hydrocarbon-oxygen mixtures behind reflected shock waves. Because of their bearing on the problem of knock in internal combustion engines, n-heptane and iso-octane were chosen as the combustible species. Their stoichiometric mixtures with oxygen had to be diluted with 70% argon to reduce the influence of the boundary layer. Photographic records demonstrated the existence of two different modes of ignition, as has been previously established for the hydrogen-oxygen system. The pressure-temperature limits between these regions of mild and strong ignition were determined. From the same experimental tests, induction time data were obtained over the pressure range of 1-4 atm and the temperature interval of 1200-1700 K.

Dioxins and polyvinylchloride in combustion and fires.

PubMed

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

2015-07-01

This review on polyvinylchloride (PVC) and dioxins collects, collates, and compares data from selected sources on the formation of polychlorinated dibenzofurans (PCDFs) and dibenzo-p-dioxins (PCDDs), or in brief dioxins, in combustion and fires. In professional spheres, the incineration of PVC as part of municipal solid waste is seldom seen as a problem, since deep flue gas cleaning is required anyhow. Conversely, with its high content of chlorine, PVC is frequently branded as a major chlorine donor and spitefully leads to substantial formation of dioxins during poorly controlled or uncontrolled combustion and open fires. Numerous still ill-documented and diverse factors of influence may affect the formation of dioxins during combustion: on the one hand PVC-compounds represent an array of materials with widely different formulations; on the other hand these may all be exposed to fires of different nature and consequences. Hence, attention should be paid to PVC with respect to the ignition and development of fires, as well as attenuating the emission of objectionable compounds, such as carbon monoxide, hydrogen chloride, polycyclic aromatic hydrocarbons, and dioxins. This review summarises available dioxin emissions data, gathers experimental and simulation studies of fires and combustion tests involving PVC, and identifies and analyses the effects of several local factors of influence, affecting the formation of dioxins during PVC combustion. © The Author(s) 2015.

American Chemical Society division of fuel chemistry Henry H. Storch award.

DOE Office of Scientific and Technical Information (OSTI.GOV)

Chemistry

American Chemical Society Division of Fuel Chemistry Henry H. Storch Award ... The purpose of the Henry H. Storch Award is to recognize distinguished contributions worldwide to fundamental or engineering research on the chemistry and utilization of all hydrocarbon fuels, with the exception of petroleum. ... The award was established in 1964 by the American Chemical Society Division of Fuel Chemistry and administered by the Division until 1985.

Distributed combustion in a cyclonic burner

NASA Astrophysics Data System (ADS)

Sorrentino, Giancarlo; Sabia, Pino; de Joannon, Mara; Cavaliere, Antonio; Ragucci, Raffaele

2017-11-01

Distributed combustion regime occurs in several combustion technologies were efficient and environmentally cleaner energy conversion are primary tasks. For such technologies (MILD, LTC, etc…), working temperatures are enough low to boost the formation of several classes of pollutants, such as NOx and soot. To access this temperature range, a significant dilution as well as preheating of reactants is required. Such conditions are usually achieved by a strong recirculation of exhaust gases that simultaneously dilute and pre-heat the fresh reactants. However, the intersection of low combustion temperatures and highly diluted mixtures with intense pre-heating alters the evolution of the combustion process with respect to traditional flames, leading to significant features such as uniformity and distributed ignition. The present study numerically characterized the turbulence-chemistry and combustion regimes of propane/oxygen mixtures, highly diluted in nitrogen, at atmospheric pressure, in a cyclonic combustor under MILD Combustion operating conditions. The velocity and mixing fields were obtained using CFD with focus on mean and fluctuating quantities. The flow-field information helped differentiate between the impact of turbulence levels and dilution ones. The integral length scale along with the fluctuating velocity is critical to determine Damköhler and Karlovitz numbers. Together these numbers identify the combustion regime at which the combustor is operating. This information clearly distinguishes between conventional flames and distributed combustion. The results revealed that major controllers of the reaction regime are dilution and mixing levels; both are significantly impacted by lowering oxygen concentration through entrainment of hot reactive species from within the combustor, which is important in distributed combustion. Understanding the controlling factors of distributed regime is critical for the development and deployment of these novel combustion

Spherical combustion clouds in explosions

NASA Astrophysics Data System (ADS)

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

2013-05-01

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

Quantitative Thermochemical Measurements in High-Pressure Gaseous Combustion

NASA Technical Reports Server (NTRS)

Kojima, Jun J.; Fischer, David G.

2012-01-01

We present our strategic experiment and thermochemical analyses on combustion flow using a subframe burst gating (SBG) Raman spectroscopy. This unconventional laser diagnostic technique has promising ability to enhance accuracy of the quantitative scalar measurements in a point-wise single-shot fashion. In the presentation, we briefly describe an experimental methodology that generates transferable calibration standard for the routine implementation of the diagnostics in hydrocarbon flames. The diagnostic technology was applied to simultaneous measurements of temperature and chemical species in a swirl-stabilized turbulent flame with gaseous methane fuel at elevated pressure (17 atm). Statistical analyses of the space-/time-resolved thermochemical data provide insights into the nature of the mixing process and it impact on the subsequent combustion process in the model combustor.

Ignition and combustion of bulk metals in a microgravity environment

NASA Technical Reports Server (NTRS)

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

1994-01-01

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

Combustion Characteristics of Hydrocarbon Droplets Induced by Photoignition of Aluminum Nanoparticles (Conference Paper with Briefing Charts)

DTIC Science & Technology

2017-04-23

192. 4. Chehroudi, B., Davis, D.W., and Talley, D.G., "The Effects of Pressure and Acoustic Field on a Cryogenic Coaxial Jet", 42nd AIAA Aerospace...the Presence of Acoustic Excitation", Combustion and Flame, 2014; 6, 161, pp. 1604-1619. 15. Glassman, I., and Yetter, R.A., Combustion: Fourth...pressure vessel. - Investigate combustion dynamics of nanofuel sprays under acoustic forcing at supercritical conditions (>600 psi). 3 DISTRIBUTION A

Determination of particle-bound polycyclic aromatic hydrocarbons emitted from co-pelletization combustion of lignite and rubber wood sawdust

NASA Astrophysics Data System (ADS)

Kan, R.; Kaosol, T.; Tekasakul, P.; Tekasakul, S.

2017-09-01

Determination of particle-bound Polycyclic Aromatic Hydrocarbons (PAHs) emitted from co-pelletization combustion of lignite and rubber wood sawdust in a horizontal tube furnace is investigated using High Performance Liquid Chromatography with coupled Diode Array and Fluorescence Detection (HPLC-DAD/FLD). The particle-bound PAHs based on the mass concentration and the toxicity degree are discussed in the different size ranges of the particulate matters from 0.07-11 μm. In the present study, the particle-bound PAHs are likely abundant in the fine particles. More than 70% of toxicity degree of PAHs falls into PM1.1 while more than 80% of mass concentration of PAHs falls into PM2.5. The addition of lignite amount in the co-pelletization results in the increasing concentration of either 4-6 aromatic ring PAHs or high molecular weight PAHs. The high contribution of 4-6 aromatic ring PAHs or high molecular weight PAHs in the fine particles should be paid much more attention because of high probability of human carcinogenic. Furthermore, the rubber wood sawdust pellets emit high mass concentration of PAHs whereas the lignite pellets emit high toxicity degree of PAHs. By co-pelletized rubber wood sawdust with lignite (50% lignite pellets) has significant effect to reduce the toxicity degree of PAHs by 70%.

Presidential Green Chemistry Challenge: 2014 Small Business Award

EPA Pesticide Factsheets

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.

Fiber-Supported Droplet Combustion Experiment-2

NASA Technical Reports Server (NTRS)

Colantonio, Renato O.

1998-01-01

A major portion of the energy produced in the world today comes from the burning of liquid hydrocarbon fuels in the form of droplets. Understanding the fundamental physical processes involved in droplet combustion is not only important in energy production but also in propulsion, in the mitigation of combustion-generated pollution, and in the control of the fire hazards associated with handling liquid combustibles. Microgravity makes spherically symmetric combustion possible, allowing investigators to easily validate their droplet models without the complicating effects of gravity. The Fiber-Supported Droplet Combustion (FSDC-2) investigation was conducted in the Microgravity Glovebox facility of the shuttles' Spacelab during the reflight of the Microgravity Science Laboratory (MSL- 1R) on STS-94 in July 1997. FSDC-2 studied fundamental phenomena related to liquid fuel droplet combustion in air. Pure fuels and mixtures of fuels were burned as isolated single and duo droplets with and without forced air convection. FSDC-2 is sponsored by the NASA Lewis Research Center, whose researchers are working in cooperation with several investigators from industry and academia. The rate at which a droplet burns is important in many commercial applications. The classical theory of droplet burning assumes that, for an isolated, spherically symmetric, single-fuel droplet, the gas-phase combustion processes are much faster than the droplet surface regression rate and that the liquid phase is at a uniform temperature equal to the boiling point. Recent, more advanced models predict that both the liquid and gas phases are unsteady during a substantial portion of the droplet's burning history, thus affecting the instantaneous and average burning rates, and that flame radiation is a dominant mechanism that can extinguish flames in a microgravity environment. FSDC-2 has provided well-defined, symmetric droplet burning data including radiative emissions to validate these theoretical

HYDROCARBON OXIDATION OVER VANADIUM PHOSPHORUS OXIDE CATALYST USING HYDROGEN PEROXIDE

EPA Science Inventory

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

An analysis of combustion studies in shock expansion tunnels and reflected shock tunnels

NASA Technical Reports Server (NTRS)

Jachimowski, Casimir J.

1992-01-01

The effect of initial nonequilibrium dissociated air constituents on the combustion of hydrogen in high-speed flows for a simulated Mach 17 flight condition was investigated by analyzing the results of comparative combustion experiments performed in a reflected shock tunnel test gas and in a shock expansion tunnel test gas. The results were analyzed and interpreted with a one-dimensional quasi-three-stream combustor code that includes finite rate combustion chemistry. The results of this study indicate that the combustion process is kinetically controlled in the experiments in both tunnels and the presence of the nonequilibrium partially dissociated oxygen in the reflected shock tunnel enhances the combustion. Methods of compensating for the effect of dissociated oxygen are discussed.

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

NASA Technical Reports Server (NTRS)

1977-01-01

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

Approximate stoichiometry for rich hydrocarbon mixtures

DOE Office of Scientific and Technical Information (OSTI.GOV)

Beans, E.W.

1993-03-01

The stoichiometry of lean mixtures can readily and accurately be determined from the assumption that all the carbon oxidizes to carbon dioxide and all the hydrogen oxidizes to water. This assumption is valid up to an equivalence ratio ([sigma]) of 0.8 and can be used with little error up to [sigma] = 1. The composition of the products of a hydrocarbon burnt in air under the foregoing assumption can be obtained from simple carbon, hydrogen, oxygen and nitrogen balances. Given the composition, one can determine the energy released and/or the adiabatic flame temperature. For rich mixtures, the foregoing assumption, ofmore » course, is not valid. Hence, there is no easy way to determine the stoichiometry of the products of a rich mixture. The objective of this note is to present an equation' which will allow one to readily determine the composition of the products of rich hydrocarbon mixtures. The equation is based on equilibrium composition calculations and some assumptions regarding the characteristics of hydrocarbons. The equation gives approximate results. However, the results are sufficiently accurate for many situations. If more accuracy is wanted, one should use an equilibrium combustion program like the one by Gordon and McBride.« less

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

EPA Science Inventory

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

Supercritical droplet combustion and related transport phenomena

NASA Technical Reports Server (NTRS)

Yang, Vigor; Hsieh, K. C.; Shuen, J. S.

1993-01-01

An overview of recent advances in theoretical analyses of supercritical droplet vaporization and combustion is conducted. Both hydrocarbon and cryogenic liquid droplets over a wide range of thermodynamic states are considered. Various important high-pressure effects on droplet behavior, such as thermodynamic non-ideality, transport anomaly, and property variation, are reviewed. Results indicate that the ambient gas pressure exerts significant control of droplet gasification and burning processes through its influence on fluid transport, gas-liquid interfacial thermodynamics, and chemical reactions. The droplet gasification rate increases progressively with pressure. However, the data for the overall burnout time exhibit a considerable change in the combustion mechanism at the criticl pressure, mainly as a result of reduced mass diffusivity and latent heat of vaporization with increased pressure. The influence of droplet size on the burning characteristics is also noted.

Gasdynamic Model of Turbulent Combustion in TNT Explosions

DOE Office of Scientific and Technical Information (OSTI.GOV)

Kuhl, A L; Bell, J B; Beckner, V E

2010-01-08

A model is proposed to simulate turbulent combustion in confined TNT explosions. It is based on: (i) the multi-component gasdynamic conservation laws, (ii) a fast-chemistry model for TNT-air combustion, (iii) a thermodynamic model for frozen reactants and equilibrium products, (iv) a high-order Godunov scheme providing a non-diffusive solution of the governing equations, and (v) an ILES approach whereby adaptive mesh refinement is used to capture the energy bearing scales of the turbulence on the grid. Three-dimensional numerical simulations of explosion fields from 1.5-g PETN/TNT charges were performed. Explosions in six different chambers were studied: three calorimeters (volumes of 6.6-l, 21.2-lmore » and 40.5-l with L/D = 1), and three tunnels (L/D = 3.8, 4.65 and 12.5 with volumes of 6.3-l) - to investigate the influence of chamber volume and geometry on the combustion process. Predicted pressures histories were quite similar to measured pressure histories for all cases studied. Experimentally, mass fraction of products, Y{sub p}{sup exp}, reached a peak value of 88% at an excess air ratio of twice stoichiometric, and then decayed with increasing air dilution; mass fractions Y{sub p}{sup calc} computed from the numerical simulations followed similar trends. Based on this agreement, we conclude that the dominant effect that controls the rate of TNT combustion with air is the turbulent mixing rate; the ILES approach along with the fast-chemistry model used here adequately captures this effect.« less

Monitoring of vapor phase polycyclic aromatic hydrocarbons

DOEpatents

Vo-Dinh, Tuan; Hajaligol, Mohammad R.

2004-06-01

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

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

DOE Office of Scientific and Technical Information (OSTI.GOV)

Not Available

1981-11-30

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

Turbulent Combustion in SDF Explosions

DOE Office of Scientific and Technical Information (OSTI.GOV)

Kuhl, A L; Bell, J B; Beckner, V E

2009-11-12

A heterogeneous continuum model is proposed to describe the dispersion and combustion of an aluminum particle cloud in an explosion. It combines the gas-dynamic conservation laws for the gas phase with a continuum model for the dispersed phase, as formulated by Nigmatulin. Inter-phase mass, momentum and energy exchange are prescribed by phenomenological models. It incorporates a combustion model based on the mass conservation laws for fuel, air and products; source/sink terms are treated in the fast-chemistry limit appropriate for such gasdynamic fields, along with a model for mass transfer from the particle phase to the gas. The model takes intomore » account both the afterburning of the detonation products of the C-4 booster with air, and the combustion of the Al particles with air. The model equations were integrated by high-order Godunov schemes for both the gas and particle phases. Numerical simulations of the explosion fields from 1.5-g Shock-Dispersed-Fuel (SDF) charge in a 6.6 liter calorimeter were used to validate the combustion model. Then the model was applied to 10-kg Al-SDF explosions in a an unconfined height-of-burst explosion. Computed pressure histories are compared with measured waveforms. Differences are caused by physical-chemical kinetic effects of particle combustion which induce ignition delays in the initial reactive blast wave and quenching of reactions at late times. Current simulations give initial insights into such modeling issues.« less

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

NASA Technical Reports Server (NTRS)

Bauman, A. J. (Inventor)

1981-01-01

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

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

EPA Science Inventory

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

Measurement of the spatial dependence of temperature and gas and soot concentrations within large open hydrocarbon fuel fires

NASA Technical Reports Server (NTRS)

Johnson, H. T.; Linley, L. J.; Mansfield, J. A.

1982-01-01

A series of large-scale JP-4 fuel pool fire tests was conducted to refine existing mathematical models of large fires. Seven tests were conducted to make chemical concentration and temperature measurements in 7.5 and 15 meter-diameter pool fires. Measurements were made at heights of 0.7, 1.4, 2.9, 5.7, 11.4, and 21.3 meters above the fires. Temperatures were measured at up to 50 locations each second during the fires. Chemistry samples were taken at up to 23 locations within the fires and analyzed for combustion chemistry and soot concentration. Temperature and combustion chemistry profiles obtained during two 7.5 meter-diameter and two 15 meter-diameter fires are included.

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

PubMed Central

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

2012-01-01

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

Hydrocarbon-fuel/combustion-chamber-liner materials compatibility

NASA Technical Reports Server (NTRS)

Homer, G. David

1991-01-01

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

Model compound study of the pathways for aromatic hydrocarbon formation in soot.

DOE Office of Scientific and Technical Information (OSTI.GOV)

Tomczyk, N. A.; Hunt, J. E.; Winans, R. E.

2002-04-29

To explore the mechanisms for formation of aromatic hydrocarbons as precursors to soot, a model system using combustion of biphenyl in a fuel rich flame is studied. The soots acquired at three different temperatures are solvent extracted and the extract characterized by both GCMS and high resolution mass spectrometry. A description of the NMR results for the whole soots has been published (1). The production of most products could be rationalized from the coupling of biphenyls and subsequent aromatic species and the addition of acetylenes to existing aromatic molecules. Early work by Badger on pyrolysis of hydrocarbons is used inmore » developing these schemes (2). The reaction schemes to produce larger aromatic hydrocarbons will be discussed. Richter and Howard have discussed in detail potential reaction mechanisms in the formation of aromatics as precursors to soot (3).« less

Raman Gas Species Measurements in Hydrocarbon-Fueled Rocket Engine Injector Flows

NASA Technical Reports Server (NTRS)

Wehrmeyer, Joseph; Hartfield, Roy J., Jr.; Trinh, Huu P.; Dobson, Chris C.; Eskridge, Richard H.

2000-01-01

Rocket engine propellent injector development at NASA-Marshall includes experimental analysis using optical techniques, such as Raman, fluorescence, or Mie scattering. For the application of spontaneous Raman scattering to hydrocarbon-fueled flows a technique needs to be developed to remove the interfering polycyclic aromatic hydrocarbon fluorescence from the relatively weak Raman signals. A current application of such a technique is to the analysis of the mixing and combustion performance of multijet, impinging-jet candidate fuel injectors for the baseline Mars ascent engine, which will burn methane and liquid oxygen produced in-situ on Mars to reduce the propellent mass transported to Mars for future manned Mars missions. The Raman technique takes advantage of the strongly polarized nature of Raman scattering. It is shown to be discernable from unpolarized fluorescence interference by subtracting one polarized image from another. Both of these polarized images are obtained from a single laser pulse by using a polarization-separating calcite rhomb mounted in the imaging spectrograph. A demonstration in a propane-air flame is presented, as well as a high pressure demonstration in the NASA-Marshall Modular Combustion Test Artice, using the liquid methane-liquid oxygen propellant system

Operating characteristics of a hydrogen-argon plasma torch for supersonic combustion applications

NASA Technical Reports Server (NTRS)

Barbi, E.; Mahan, J. R.; O'Brien, W. F.; Wagner, T. C.

1989-01-01

The residence time of the combustible mixture in the combustion chamber of a scramjet engine is much less than the time normally required for complete combustion. Hydrogen and hydrocarbon fuels require an ignition source under conditions typically found in a scramjet combustor. Analytical studies indicate that the presence of hydrogen atoms should greatly reduce the ignition delay in this environment. Because hydrogen plasmas are prolific sources of hydrogen atoms, a low-power, uncooled hydrogen plasma torch has been built and tested to evaluate its potential as a possible flame holder for supersonic combustion. The torch was found to be unstable when operated on pure hydrogen; however, stable operation could be obtained by using argon as a body gas and mixing in the desired amount of hydrogen. The stability limits of the torch are delineated and its electrical and thermal behavior documented. An average torch thermal efficiency of around 88 percent is demonstrated.

A review of the neurotoxicity risk of selected hydrocarbon fuels.

PubMed

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

2001-01-01

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

Numerical investigation of combustion field of hypervelocity scramjet engine

NASA Astrophysics Data System (ADS)

Zhang, Shikong; Li, Jiang; Qin, Fei; Huang, Zhiwei; Xue, Rui

2016-12-01

A numerical study of the ground testing of a hydrogen-fueled scramjet engine was undertaken using the commercial computational-fluid-dynamics code CFD++. The simulated Mach number was 12. A 7-species, 9-reaction-step hydrogen-air chemistry kinetics system was adopted for the Reynolds-averaged Navier-Stokes simulation. The two-equation SST turbulence model, which takes into account the wall functions, was used to handle the turbulence-chemistry interactions. The results were validated by experimentally measuring the wall pressure distribution, and the values obtained proved to be in good agreement. The flow pattern at non-reaction/reaction is presented, as are the results of analyzing the supersonic premix/non-premix flame structure, the reaction heat release distribution in different modes, and the change in the equivalence ratio. In this study, we realize the working mode of a hypervelocity engine and provide some suggestions for the combustion organization of the engine as well as offer insight into the potential for exploiting the processes of combustion and flow.

The photochemistry of anthropogenic nonmethane hydrocarbons in the troposphere

NASA Technical Reports Server (NTRS)

Brewer, D. A.; Augustsson, T. R.; Levine, J. S.

1983-01-01

A lumped, nonmethane hydrocarbon (NMHC) chemical mechanism is presently applied to a one-dimensional photochemical model of the troposphere. The profiles of OH, HO2, NO(x), and HNO3, showed only slight changes when NMHC chemistry was added. The integrated column of peroxyacetylnitrate (PAN), when NMHC chemistry was included, comprised 17 percent of the odd nitrogen budget. Advection is noted as an important possible mechanism for the removal of PAN at midlatitudes. The inclusion of such intermediate lifetime species as aldehydes and olefins has both provided additional sources of short-lived NMHC radicals, such as the peroxyacetyl radical that is the radical precursor of PAN, and offered a more detailed description of the concentrations of short-lived species and the overall NMHC chemistry.

Compound specific radiocarbon analyses to apportion sources of combustion products in sedimentary pyrogenic carbon deposits

NASA Astrophysics Data System (ADS)

Hanke, Ulrich M.; Schmidt, Michael W. I.; McIntyre, Cameron P.; Reddy, Christopher M.; Wacker, Lukas; Eglinton, Timothy I.

2016-04-01

Pyrogenic carbon (PyC) is a collective term for carbon-rich residues comprised of a continuum of products generated during biomass burning and fossil fuel combustion. PyC is a key component of the global carbon cycle due to its slow intrinsic decomposition rate and its ubiquity in the environment. It can originate from natural or anthropogenic vegetation fires, coal mining, energy production, industry and transport. Subsequently, PyC can be transported over long distances by wind and water and can eventually be buried in sediments. Information about the origin of PyC (biomass burning vs. fossil fuel combustion) deposited in estuarine sediments is scarce. We studied the highly anoxic estuarine sediments of the Pettaquamscutt River (Rhode Island, U.S.) in high temporal resolution over 250 years and found different combustion proxies reflect local and regional sources of PyC (Hanke et al. in review; Lima et al. 2003). The polycyclic aromatic hydrocarbons (PAH) originate from long-range atmospheric transport, whereas bulk PyC, detected as benzene polycarboxylic acids (BPCA), mainly stems from local catchment run-off. However, to unambiguously apportion PyC sources, we need additional information, such as compound specific radiocarbon (14C) measurements. We report 14C data for individual BPCA including error analysis and for combustion-related PAH. First results indicate that biomass burning is the main source of PyC deposits, with additional minor contributions from fossil fuel combustion. References Hanke U.M., T.I. Eglinton, A.L.L. Braun, C. Reddy, D.B. Wiedemeier, M.W.I. Schmidt. Decoupled sedimentary records of combustion: causes and implications. In review. Lima, A. L.; Eglinton, T. I.; Reddy, C. M., High-resolution record of pyrogenic polycyclic aromatic hydrocarbon deposition during the 20th century. ES&T, 2003, 37 (1), 53-61.

Plasma chemistry and organic synthesis

NASA Technical Reports Server (NTRS)

Tezuka, M.

1980-01-01

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

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

PubMed

Olek, Malgorzata; Baron, Jerzy; Zukowski, Witold

2013-01-06

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. 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. 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%.

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

EPA Science Inventory

The generation by combustion processes of airborne species of current health concern such as polycyclic aromatic hydrocarbons (PAH) and soot particles necessitates a detailed understanding of chemical reaction pathways responsible for their formation. The present review discus...

The effect of model fidelity on prediction of char burnout for single-particle coal combustion

DOE PAGES

McConnell, Josh; Sutherland, James C.

2016-07-09

In this study, practical simulation of industrial-scale coal combustion relies on the ability to accurately capture the dynamics of coal subprocesses while also ensuring the computational cost remains reasonable. The majority of the residence time occurs post-devolatilization, so it is of great importance that a balance between the computational efficiency and accuracy of char combustion models is carefully considered. In this work, we consider the importance of model fidelity during char combustion by comparing combinations of simple and complex gas and particle-phase chemistry models. Detailed kinetics based on the GRI 3.0 mechanism and infinitely-fast chemistry are considered in the gas-phase.more » The Char Conversion Kinetics model and nth-Order Langmuir–Hinshelwood model are considered for char consumption. For devolatilization, the Chemical Percolation and Devolatilization and Kobayashi-Sarofim models are employed. The relative importance of gasification versus oxidation reactions in air and oxyfuel environments is also examined for various coal types. Results are compared to previously published experimental data collected under laminar, single-particle conditions. Calculated particle temperature histories are strongly dependent on the choice of gas phase and char chemistry models, but only weakly dependent on the chosen devolatilization model. Particle mass calculations were found to be very sensitive to the choice of devolatilization model, but only somewhat sensitive to the choice of gas chemistry and char chemistry models. High-fidelity models for devolatilization generally resulted in particle temperature and mass calculations that were closer to experimentally observed values.« less

The effect of model fidelity on prediction of char burnout for single-particle coal combustion

DOE Office of Scientific and Technical Information (OSTI.GOV)

McConnell, Josh; Sutherland, James C.

In this study, practical simulation of industrial-scale coal combustion relies on the ability to accurately capture the dynamics of coal subprocesses while also ensuring the computational cost remains reasonable. The majority of the residence time occurs post-devolatilization, so it is of great importance that a balance between the computational efficiency and accuracy of char combustion models is carefully considered. In this work, we consider the importance of model fidelity during char combustion by comparing combinations of simple and complex gas and particle-phase chemistry models. Detailed kinetics based on the GRI 3.0 mechanism and infinitely-fast chemistry are considered in the gas-phase.more » The Char Conversion Kinetics model and nth-Order Langmuir–Hinshelwood model are considered for char consumption. For devolatilization, the Chemical Percolation and Devolatilization and Kobayashi-Sarofim models are employed. The relative importance of gasification versus oxidation reactions in air and oxyfuel environments is also examined for various coal types. Results are compared to previously published experimental data collected under laminar, single-particle conditions. Calculated particle temperature histories are strongly dependent on the choice of gas phase and char chemistry models, but only weakly dependent on the chosen devolatilization model. Particle mass calculations were found to be very sensitive to the choice of devolatilization model, but only somewhat sensitive to the choice of gas chemistry and char chemistry models. High-fidelity models for devolatilization generally resulted in particle temperature and mass calculations that were closer to experimentally observed values.« less

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

NASA Astrophysics Data System (ADS)

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

NASA Microgravity Combustion Science Program

NASA Technical Reports Server (NTRS)

King, Merrill K.

1999-01-01

Combustion has been a subject of increasingly vigorous scientific research for over a century, not surprising considering that combustion accounts for approximately 85% of the world's energy production and is a key element of many critical technologies used by contemporary society. Although combustion technology is vital to our standard of living, it also poses great challenges to maintaining a habitable environment. A major goal of combustion research is production of fundamental (foundational) knowledge that can be used in developing accurate simulations of complex combustion processes, replacing current "cut-and-try" approaches and allowing developers to improve the efficiency of combustion devices, to reduce the production of harmful emissions, and to reduce the incidence of accidental uncontrolled combustion. With full understanding of the physics and chemistry involved in a given combustion process, including details of the unit processes and their interactions, physically accurate models which can then be used for parametric exploration of new combustion domains via computer simulation can be developed, with possible resultant definition of radically different approaches to accomplishment of various combustion goals. Effects of gravitational forces on earth impede combustion studies more than they impede most other areas of science. The effects of buoyancy are so ubiquitous that we often do not appreciate the enormous negative impact that they have had on the rational development of combustion science. Microgravity offers potential for major gains in combustion science understanding in that it offers unique capability to establish the flow environment rather than having it dominated by uncontrollable (under normal gravity) buoyancy effects and, through this control, to extend the range of test conditions that can be studied. It cannot be emphasized too strongly that our program is dedicated to taking advantage of microgravity to untangle complications caused

Two-stage combustion for reducing pollutant emissions from gas turbine combustors

NASA Technical Reports Server (NTRS)

Clayton, R. M.; Lewis, D. H.

1981-01-01

Combustion and emission results are presented for a premix combustor fueled with admixtures of JP5 with neat H2 and of JP5 with simulated partial-oxidation product gas. The combustor was operated with inlet-air state conditions typical of cruise power for high performance aviation engines. Ultralow NOx, CO and HC emissions and extended lean burning limits were achieved simultaneously. Laboratory scale studies of the non-catalyzed rich-burning characteristics of several paraffin-series hydrocarbon fuels and of JP5 showed sooting limits at equivalence ratios of about 2.0 and that in order to achieve very rich sootless burning it is necessary to premix the reactants thoroughly and to use high levels of air preheat. The application of two-stage combustion for the reduction of fuel NOx was reviewed. An experimental combustor designed and constructed for two-stage combustion experiments is described.

ReaxFF based molecular dynamics simulations of ignition front propagation in hydrocarbon/oxygen mixtures under high temperature and pressure conditions.

PubMed

Ashraf, Chowdhury; Jain, Abhishek; Xuan, Yuan; van Duin, Adri C T

2017-02-15

In this paper, we present the first atomistic-scale based method for calculating ignition front propagation speed and hypothesize that this quantity is related to laminar flame speed. This method is based on atomistic-level molecular dynamics (MD) simulations with the ReaxFF reactive force field. Results reported in this study are for supercritical (P = 55 MPa and T u = 1800 K) combustion of hydrocarbons as elevated pressure and temperature are required to accelerate the dynamics for reactive MD simulations. These simulations are performed for different types of hydrocarbons, including alkyne, alkane, and aromatic, and are able to successfully reproduce the experimental trend of reactivity of these hydrocarbons. Moreover, our results indicate that the ignition front propagation speed under supercritical conditions has a strong dependence on equivalence ratio, similar to experimentally measured flame speeds at lower temperatures and pressures which supports our hypothesis that ignition front speed is a related quantity to laminar flame speed. In addition, comparisons between results obtained from ReaxFF simulation and continuum simulations performed under similar conditions show good qualitative, and reasonable quantitative agreement. This demonstrates that ReaxFF based MD-simulations are a promising tool to study flame speed/ignition front speed in supercritical hydrocarbon combustion.

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

PubMed

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

2012-06-05

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). However, the differences in EF(PAH) were not significant (p > 0.05). Based on the measured EFs and thermal efficiencies, it was estimated that 95, 98, 98, 88, and 71% reductions in the total emissions of CO, OC, EC, PM, and PAHs could be achieved by replacing the raw biomass fuels combusted in

Design Considerations of ISTAR Hydrocarbon Fueled Combustor Operating in Air Augmented Rocket, Ramjet and Scramjet Modes

NASA Technical Reports Server (NTRS)

Andreadis, Dean; Drake, Alan; Garrett, Joseph L.; Gettinger, Christopher D.; Hoxie, Stephen S.

2003-01-01

The development and ground test of a rocket-based combined cycle (RBCC) propulsion system is being conducted as part of the NASA Marshall Space Flight Center (MSFC) Integrated System Test of an Airbreathing Rocket (ISTAR) program. The eventual flight vehicle (X-43B) is designed to support an air-launched self-powered Mach 0.7 to 7.0 demonstration of an RBCC engine through all of its airbreathing propulsion modes - air augmented rocket (AAR), ramjet (RJ), and scramjet (SJ). Through the use of analytical tools, numerical simulations, and experimental tests the ISTAR program is developing and validating a hydrocarbon-fueled RBCC combustor design methodology. This methodology will then be used to design an integrated RBCC propulsion system that produces robust ignition and combustion stability characteristics while maximizing combustion efficiency and minimizing drag losses. First order analytical and numerical methods used to design hydrocarbon-fueled combustors are discussed with emphasis on the methods and determination of requirements necessary to establish engine operability and performance characteristics.

Design Considerations of Istar Hydrocarbon Fueled Combustor Operating in Air Augmented Rocket, Ramjet and Scramjet Modes

NASA Technical Reports Server (NTRS)

Andreadis, Dean; Drake, Alan; Garrett, Joseph L.; Gettinger, Christopher D.; Hoxie, Stephen S.

2002-01-01

The development and ground test of a rocket-based combined cycle (RBCC) propulsion system is being conducted as part of the NASA Marshall Space Flight Center (MSFC) Integrated System Test of an Airbreathing Rocket (ISTAR) program. The eventual flight vehicle (X-43B) is designed to support an air-launched self-powered Mach 0.7 to 7.0 demonstration of an RBCC engine through all of its airbreathing propulsion modes - air augmented rocket (AAR), ramjet (RJ), and scramjet (SJ). Through the use of analytical tools, numerical simulations, and experimental tests the ISTAR program is developing and validating a hydrocarbon-fueled RBCC combustor design methodology. This methodology will then be used to design an integrated RBCC propulsion system thai: produces robust ignition and combustion stability characteristics while maximizing combustion efficiency and minimizing drag losses. First order analytical and numerical methods used to design hydrocarbon-fueled combustors are discussed with emphasis on the methods and determination of requirements necessary to establish engine operability and performance characteristics.

Suspect screening of OH-PAHs and non-target screening of other organic compounds in wood smoke particles using HR-Orbitrap-MS.

PubMed

Avagyan, Rozanna; Åberg, Magnus; Westerholm, Roger

2016-11-01

Wood combustion has been shown to contribute significantly to emissions of polycyclic aromatic hydrocarbons and hydroxylated polycyclic aromatic hydrocarbons, compounds with toxic and carcinogenic properties. However, only a small number of hydroxylated polycyclic aromatic hydrocarbons have been determined in particles from wood combustion, usually compounds with available reference standards. In this present study, suspect and non-target screening strategies were applied to characterize the wood smoke particles from four different wood types and two combustion conditions with respect to hydroxylated polycyclic aromatic hydrocarbons and other organic compounds. In the suspect screening, 32 peaks corresponding to 12 monohydroxylated masses were tentatively identified by elemental composition assignments and matching of isotopic pattern and fragments. More than one structure was suggested for most of the measured masses. Statistical analysis was performed on the non-target screening data in order to single out significant peaks having intensities that depend on the wood type and/or combustion condition. Significant peaks were found in both negative and positive ionization modes, with unique peaks for each wood type and combustion condition, as well as a combination of both factors. Furthermore, structural elucidation of some peaks was done by comparing the spectra in the samples with spectra found in the spectral databases. Six compounds were tentatively identified in positive ionization mode, and 19 in negative ionization mode. The results in this present study demonstrate that there are significant overall differences in the chemistry of wood smoke particles that depends on both the wood type and the combustion condition used. Copyright © 2016 Elsevier Ltd. All rights reserved.

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

Treesearch

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...

Challenges in Understanding and Development of Predictive Models of Plasma Assisted Combustion

DTIC Science & Technology

2014-01-01

and electron temperature in transient plasmas sustained by nanosecond pulse duration discharges, and their comparison with modeling predictions, are...in nanosecond pulse discharge in nitrogen at 0.25 bar, using the kinetic model developed in Ref. [11]. Rapid electric field reduction during...discharge pulses with kinetic modeling calculations, using conventional hydrocarbon-air combustion mechanisms. Although modeling predictions for H2-air

Water interaction with laboratory-simulated fossil fuel combustion particles.

PubMed

Popovicheva, O B; Kireeva, E D; Shonija, N K; Khokhlova, T D

2009-10-01

To clarify the impact of fossil fuel combustion particles' composition on their capacity to take up water, we apply a laboratory approach in which the method of deposition of compounds, identified in the particulate coverage of diesel and aircraft engine soot particles, is developed. It is found that near-monolayer organic/inorganic coverage of the soot particles may be represented by three groups of fossil fuel combustion-derived particulate matter with respect to their Hansh's coefficients related to hydrophilic properties. Water adsorption measurements show that nonpolar organics (aliphatic and aromatic hydrocarbons) lead to hydrophobization of the soot surface. Acidic properties of organic compounds such as those of oxidized PAHs, ethers, ketones, aromatic, and aliphatic acids are related to higher water uptake, whereas inorganic acids and ionic compounds such as salts of organic acids are shown to be responsible for soot hydrophilization. This finding allows us to quantify the role of the chemical identity of soot surface compounds in water uptake and the water interaction with fossil fuel combustion particles in the humid atmosphere.

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

PubMed

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

2008-06-01

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

The combustion properties analysis of various liquid fuels based on crude oil and renewables

NASA Astrophysics Data System (ADS)

Grab-Rogalinski, K.; Szwaja, S.

2016-09-01

The paper presents results of investigation on combustion properties analysis of hydrocarbon based liquid fuels commonly used in the CI engine. The analysis was performed with aid of the CRU (Combustion Research Unit). CRU is the machine consisted of a constant volume combustion chamber equipped with one or two fuel injectors and a pressure sensor. Fuel can be injected under various both injection pressure and injection duration, also with two injector versions two stage combustion with pilot injection can be simulated, that makes it possible to introduce and modify additional parameter which is injection delay (defined as the time between pilot and main injection). On a basis of this investigation such combustion parameters as pressure increase, rate of heat release, ignition delay and combustion duration can be determined. The research was performed for the four fuels as follows: LFO, HFO, Biofuel from rape seeds and Glycerol under various injection parameters as well as combustion chamber thermodynamic conditions. Under these tests the change in such injection parameters as injection pressure, use of pilot injection, injection delay and injection duration, for main injection, were made. Moreover, fuels were tested under different conditions of load, what was determined by initial conditions (pressure and temperature) in the combustion chamber. Stored data from research allows to compare combustion parameters for fuels applied to tests and show this comparison in diagrams.

NCC: A Multidisciplinary Design/Analysis Tool for Combustion Systems

NASA Technical Reports Server (NTRS)

Liu, Nan-Suey; Quealy, Angela

1999-01-01

A multi-disciplinary design/analysis tool for combustion systems is critical for optimizing the low-emission, high-performance combustor design process. Based on discussions between NASA Lewis Research Center and the jet engine companies, an industry-government team was formed in early 1995 to develop the National Combustion Code (NCC), which is an integrated system of computer codes for the design and analysis of combustion systems. NCC has advanced features that address the need to meet designer's requirements such as "assured accuracy", "fast turnaround", and "acceptable cost". The NCC development team is comprised of Allison Engine Company (Allison), CFD Research Corporation (CFDRC), GE Aircraft Engines (GEAE), NASA Lewis Research Center (LeRC), and Pratt & Whitney (P&W). This development team operates under the guidance of the NCC steering committee. The "unstructured mesh" capability and "parallel computing" are fundamental features of NCC from its inception. The NCC system is composed of a set of "elements" which includes grid generator, main flow solver, turbulence module, turbulence and chemistry interaction module, chemistry module, spray module, radiation heat transfer module, data visualization module, and a post-processor for evaluating engine performance parameters. Each element may have contributions from several team members. Such a multi-source multi-element system needs to be integrated in a way that facilitates inter-module data communication, flexibility in module selection, and ease of integration.

An analytical study of the hydrogen-air reaction mechanism with application to scramjet combustion

NASA Technical Reports Server (NTRS)

Jachimowski, Casimir J.

1988-01-01

A chemical kinetic mechanism for the combustion of hydrogen has been assembled and optimized by comparing the observed behavior as determined in shock tube and flame studies with that predicted by the mechanism. The reactions contained in the mechanism reflect the current state of knowledge of the chemistry of the hydrogen/air system, and the assigned rate coefficients are consistent with accepted values. It was determined that the mechanism is capable of satisfactorily reproducing the experimental results for a range of conditions relevant to scramjet combustion. Calculations made with the reaction mechanism for representative scramjet combustor conditions at Mach 8, 16, and 25 showed that chemical kinetic effects can be important and that combustor models which use nonequilibrium chemistry should be used in preference to models that assume equilibrium chemistry. For the conditions examined the results also showed the importance of including the HO2 chemistry in the mechanism. For Mach numbers less than 16, the studies suggest that an ignition source will most likely be required to overcome slow ignition chemistry. At Mach 25, the initial temperature and pressure was high enough that ignition was rapid and the presence of an ignition source did not significantly affect reaction rates.

Ion chemistry of phosphorus in hydrocarbon flames : Part 1. electron scavenging by negative ion formation

NASA Astrophysics Data System (ADS)

Goodings, John M.; Hassanali, Carl S.

1990-12-01

Premixed methane--oxygen flames at atmospheric pressure of both fuel-rich (FR) and fuel-lean (FL; i.e. oxygen-rich) composition were doped with small amounts ( < 0.1 mol %) of volatile phosphorus alkyl triesters. It was demonstrated that these organo phosphorus compounds lead to efficient scavenging of the free electrons, normally present in the burnt gas of hydrocarbon flames, by negative ion formation. The anions produced by chemical ionization reactions were observed by sampling the flame gas through a nozzle into a mass spectrometer. Under both FR and FL conditions, the mass spectrum of phosphorus anions was dominated by PO-3, with a lesser contribution from PO-2. Also, H2PO-4 and PO- were observed below 100 u, as well as HPO-4 and PO-4 in the FL flame, and H2CPO-2 in the FR case. Above 100 u, the identity of the additive survivedin the FR flame to give anions of the type (RO)xPOy(OH)-z, where R is the alkyl group. However, these were replaced in the FL flame by anions of the type PO-n (n = 5-8) below 160 u. The formation chemistry of this considerable variety of phosphorus anions is discussed in detail, involving mainly three-body association, nucleophilic displacement (SN2) and proton abstraction reactions.

Experimental and modeling studies of small molecule chemistry in expanding spherical flames

NASA Astrophysics Data System (ADS)

Santner, Jeffrey

Accurate models of flame chemistry are required in order to predict emissions and flame properties, such that clean, efficient engines can be designed more easily. There are three primary methods used to improve such combustion chemistry models - theoretical reaction rate calculations, elementary reaction rate experiments, and combustion system experiments. This work contributes to model improvement through the third method - measurements and analysis of the laminar burning velocity at constraining conditions. Modern combustion systems operate at high pressure with strong exhaust gas dilution in order to improve efficiency and reduce emissions. Additionally, flames under these conditions are sensitized to elementary reaction rates such that measurements constrain modeling efforts. Measurement conditions of the present work operate within this intersection between applications and fundamental science. Experiments utilize a new pressure-release, heated spherical combustion chamber with a variety of fuels (high hydrogen content fuels, formaldehyde (via 1,3,5-trioxane), and C2 fuels) at pressures from 0.5--25 atm, often with dilution by water vapor or carbon dioxide to flame temperatures below 2000 K. The constraining ability of these measurements depends on their uncertainty. Thus, the present work includes a novel analytical estimate of the effects of thermal radiative heat loss on burning velocity measurements in spherical flames. For 1,3,5-trioxane experiments, global measurements are sufficiently sensitive to elementary reaction rates that optimization techniques are employed to indirectly measure the reaction rates of HCO consumption. Besides the influence of flame chemistry on propagation, this work also explores the chemistry involved in production of nitric oxide, a harmful pollutant, within flames. We find significant differences among available chemistry models, both in mechanistic structure and quantitative reaction rates. There is a lack of well

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

PubMed Central

2013-01-01

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

Natural hydrocarbons, urbanization, and urban ozone

NASA Technical Reports Server (NTRS)

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

1990-01-01

The combined effects of emission control and urbanization, with its concomitant intensification of the urban heat island, on urban ozone concentrations are studied. The effect of temperature on ozone is considered, and attention is given to the temperature effect on ozone photochemistry. Model calculations suggest that ozone concentration enhancements are caused by the effect of temperature on the atmospheric chemistry of peroxyacetyl nitrate, as well as the temperature dependence of natural and anthropogenic hydrocarbon emissions. It is pointed out that, because of the sensitivity of urban ozone to local climatic conditions and the ability of trees to moderate summertime temperatures, the inadvertent removal of trees from urbanization can have an adverse effect on urban ozone concentration, while a temperature increase in the urban heat island caused by urbanization can essentially cancel out the ozone-reducing benefits obtained from a 50-percent reduction in anthropogenic hydrocarbon emissions.

Chemistry of the outer planets

NASA Technical Reports Server (NTRS)

Scattergood, Thomas W.

1992-01-01

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

Ignition and combustion characteristics of metallized propellants

NASA Technical Reports Server (NTRS)

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

The Heterogeneous Photocatalytic Oxidation of Hydrocarbons on Platinized TiO2 Powders.

DTIC Science & Technology

1980-08-28

V W DUNN, K 0 WILBOURN NOO1-78-C-OS92 UCLASSIFIE D T - 10 ML I.’ fflfllfl~fflfllflfEEEEEEEEEl IIIII 1.1 . ILL 111L25 .4~I~ ( .6III MICROCOPY...Photocatalytic Oxidation of Hydrocarbons on Platinized TiO 2 Powders O by Ikuichiro Izumi, Wendell W. Dunn, Keith 0. Wilbourn , Fu-Ren F. Fan, and Allen J. Bard...Hydrocarbons on Platinized TiO 2 Powders. Ikuichiro Izumi, Wendell W. Dunn, Keith 0. Wilbourn , Fu-Ren F. Fan, and Allen J. Bard* Department of Chemistry, The

Optimizing the performance of catalytic traps for hydrocarbon abatement during the cold-start of a gasoline engine.

PubMed

Puértolas, B; Navlani-García, M; García, T; Navarro, M V; Lozano-Castelló, D; Cazorla-Amorós, D

2014-08-30

A key target to reduce current hydrocarbon emissions from vehicular exhaust is to improve their abatement under cold-start conditions. Herein, we demonstrate the potential of factorial analysis to design a highly efficient catalytic trap. The impact of the synthesis conditions on the preparation of copper-loaded ZSM-5 is clearly revealed by XRD, N2 sorption, FTIR, NH3-TPD, SEM and TEM. A high concentration of copper nitrate precursor in the synthesis improves the removal of hydrocarbons, providing both strong adsorption sites for hydrocarbon retention at low temperature and copper oxide nanoparticles for full hydrocarbon catalytic combustion at high temperature. The use of copper acetate precursor leads to a more homogeneous dispersion of copper oxide nanoparticles also providing enough catalytic sites for the total oxidation of hydrocarbons released from the adsorption sites, although lower copper loadings are achieved. Thus, synthesis conditions leading to high copper loadings jointly with highly dispersed copper oxide nanoparticles would result in an exceptional catalytic trap able to reach superior hydrocarbon abatement under highly demanding operational conditions. Copyright © 2014 Elsevier B.V. All rights reserved.

Production report: enhanced recovery. [Combustion, steam, soak steam drive, polymer and caustic, micellar/surfactant miscible hydrocarbons and CO/sub 2/

DOE Office of Scientific and Technical Information (OSTI.GOV)

Noran, D.

Schemes for producing additional oil using enhanced-recovery (ER) methods are under way throughout the world. The extent and intensity of ER activity is highest in the U.S. with 156 projects, about two-thirds of which are thermal. Venezuela has a strong ER commitment with at least 70 active projects, with a major thrust on steam soak. Significant projects, but limited in number, are under way in Canada, North Africa, Southeast Asia, and elsewhere in Latin America. A breakdown of active U.S. ER projects for 1970, 1973, and 1975 is tabulated for combustion, steam soak, steam drive, polymer and caustic, micellar/surfactant, misciblemore » hydrocarbon, and CO/sub 2/ methods. This Oil and Gas Journal Survey includes seven articles; the first six were prepared by David Noran, Journal Production Editor. The final article on Venezuelan activity was written by Alvaro Franco, Editor and Publisher, Petroleo Internacional. The articles are entitled: U.S. Thermal Recovery Activity Growing Steadily; Operators Accelerate Testing of Micellar/Surfactant Potential; Polymer and Caustic Methods on Rebound; Gas Miscible Projects Move at Slow Pace; Canadian Enhanced-Recovery Activity Moderate, Centers on Thermal Projects; Other Global Enhanced-Recovery Work Sparse; and Thermal Work Humming in Venezuela. Detailed information on each method is tabulated for each article. (MCW)« less

Distribution of aliphatic hydrocarbons, polycyclic aromatic hydrocarbons and organochlorinated pollutants in deep-sea sediments of the Southern Cretan margin, Eastern Mediterranean Sea: a baseline assessment.

PubMed

Mandalakis, Manolis; Polymenakou, Paraskevi N; Tselepides, Anastasios; Lampadariou, Nikolaos

2014-07-01

Deep sediments from the southern Cretan margin were analyzed to establish baseline levels for various types of organic pollutants before the anticipated intensification of anthropogenic activities. The total concentration of aliphatic hydrocarbons (ΣAH:326-3758ngg(-1), dry weight) was similar to those reported for deep sediments of the western Mediterranean Sea, while considerably lower levels were measured for polycyclic aromatic hydrocarbons (ΣPAH:9-60ngg(-1)). Source-diagnostic ratios suggested that the aliphatic hydrocarbons in sediments were mainly of terrestrial biogenic origin, while polycyclic aromatic hydrocarbons stemmed from the deposition of long-range transported combustion aerosols. Among the organochlorinated compounds analyzed, β-hexachlorocyclohexane (β-HCH:222-7052pgg(-1)), 1,1,1-trichloro-2,2-bis(4-chlorophenyl)ethane (p,p'-DDT:37-2236pgg(-1)) and polychlorinated biphenyls (ΣPCB:38-1182pgg(-1)) showed the highest abundance in sediments. The presence of HCHs and PCBs was attributed to historical inputs that have undergone extensive weathering, whereas an ongoing fresh input was suggested for p,p'-DDT. Multiple linear regression analysis revealed that the levels of the various pollutants in sediments were controlled by different factors, but with organic carbon content playing a prominent role in most cases. Copyright © 2014 Elsevier Ltd. All rights reserved.

Experimental study of the effect of cycle pressure on lean combustion emissions

NASA Technical Reports Server (NTRS)

Roffe, G.; Venkataramani, K. S.

1978-01-01

Experiments were conducted in which a stream of premixed propane and air was burned under conditions representative of gas turbine operation. Emissions of NOx, CO, and unburned hydrocarbons (UHC) were measured over a range of combustor inlet temperature, pressure, and residence time at equivalence ratios from 0.7 down to the lean stability limit. At an inlet temperature of 600 K, observed NOx levels dropped markedly with decreasing pressure for pressures below 20 atm. The NOx levels are proportional to combustor residence time and formation rates were principally a function of adiabatic flame temperature. For adiabatic flame temperatures of 2050 K and higher, CO reached chemical equilibrium within 2 msec. Unburned hydrocarbon species dropped to a negligible level within 2 msec regardless of inlet temperature, pressure, or equivalence ratio. For a combustor residence time of 2.5 msec, combustion inefficiency became less than 0.01% at an adiabatic flame temperature of 2050 K. The maximum combustion inefficiency observed was on the order of 1% and corresponded to conditions near the lean stability limit. Using a perforated plate flameholder, this limit is well represented by the condition of 1800 K adiabatic flame temperature.

Chemical signatures of the Anthropocene in the Clyde estuary, UK: sediment-hosted Pb, (207/206)Pb, total petroleum hydrocarbon, polyaromatic hydrocarbon and polychlorinated biphenyl pollution records.

PubMed

Vane, C H; Chenery, S R; Harrison, I; Kim, A W; Moss-Hayes, V; Jones, D G

2011-03-13

The sediment concentrations of total petroleum hydrocarbons (TPHs), polyaromatic hydrocarbons (PAHs), polychlorinated biphenyls (PCBs), Pb and (207/206)Pb isotope ratios were measured in seven cores from the middle Clyde estuary (Scotland, UK) with an aim of tracking the late Anthropocene. Concentrations of TPHs ranged from 34 to 4386 mg kg(-1), total PAHs from 19 to 16,163 μg kg(-1) and total PCBs between less than 4.3 to 1217 μg kg(-1). Inventories, distributions and isomeric ratios of the organic pollutants were used to reconstruct pollutant histories. Pre-Industrial Revolution and modern non-polluted sediments were characterized by low TPH and PAH values as well as high relative abundance of biogenic-sourced phenanthrene and naphthalene. The increasing industrialization of the Clyde gave rise to elevated PAH concentrations and PAH isomeric ratios characteristic of both grass/wood/coal and petroleum and combustion (specifically petroleum combustion). Overall, PAHs had the longest history of any of the organic contaminants. Increasing TPH concentrations and a concomitant decline in PAHs mirrored the lessening of coal use and increasing reliance on petroleum fuels from about the 1950s. Thereafter, declining hydrocarbon pollution was followed by the onset (1950s), peak (1965-1977) and decline (post-1980s) in total PCB concentrations. Lead concentrations ranged from 6 to 631 mg kg(-1), while (207/206)Pb isotope ratios spanned 0.838-0.876, indicative of various proportions of 'background', British ore/coal and Broken Hill type petrol/industrial lead. A chronology was established using published Pb isotope data for aerosol-derived Pb and applied to the cores.

Contrail: A Module from Physical Chemistry On-Line Project

ERIC Educational Resources Information Center

Chen, Franklin; Zielinski, Theresa Julia; Long, George

2007-01-01

The impact of contrails on Earth's climate is researched to understand the active area. It is suggested that the process of contrail formation involves combustion, cooling and ice formation, which are good comprehensive learning exercise for physical chemistry students.

Distributed Combustion in Solid Propellants

DTIC Science & Technology

1993-03-01

SENTRY. During that year three full scale development motors were test fired. All three motors experienced an unacceptabiy high level of combustion...CO. Thermochemical Implications," Journal of Physical Chemistry , 1986, Vol. 90, pp. 1688-1691. Rundinger, G., "Effect of Velocity Slip on the...resulting equation is found to be M (r, l = Lelnf 1 F (T-f- T’) I F(Tf- Ts) -J (B.20) where (p is given by P = (MvQ1 + McQ + H) Mil and F is the ratio of

Biological activity of a leached chernozem contaminated with the products of combustion of petroleum gas and its restoration upon phytoremediation

NASA Astrophysics Data System (ADS)

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.

Sensitivity Analysis to Turbulent Combustion Models for Combustor-Turbine Interactions

NASA Astrophysics Data System (ADS)

Miki, Kenji; Moder, Jeff; Liou, Meng-Sing

2017-11-01

The recently-updated Open National CombustionCode (Open NCC) equipped with alarge-eddy simulation (LES) is applied to model the flow field inside the Energy Efficient Engine (EEE) in conjunction with sensitivity analysis to turbulent combustion models. In this study, we consider three different turbulence-combustion interaction models, the Eddy-Breakup model (EBU), the Linear-Eddy Model (LEM) and the Probability Density Function (PDF)model as well as the laminar chemistry model. Acomprehensive comparison of the flow field and the flame structure will be provided. One of our main interests isto understand how a different model predicts thermal variation on the surface of the first stage vane. Considering that these models are often used in combustor/turbine communities, this study should provide some guidelines on numerical modeling of combustor-turbine interactions.

Analysis of Lean Premixed/Prevaporized Combustion with KIVA-2

NASA Technical Reports Server (NTRS)

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

1994-01-01

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

Flame Dynamics and Chemistry in LRE Combustion Instability

DTIC Science & Technology

2016-12-22

simulation conditions are as follows: the upper boundary consists of a mixture of DME, oxygen and nitrogen at a fixed temperature of 300 K, while the lower...Fig. 11 a. However, the reduction effect of increased oxygen con- centration on the cool flame extinction temperature is again over- predicted by... temperature chemistry and extends the hysteresis between ignition and Fig. 11. Ignition and extinction temperatures at various strain rates and oxygen

A stochastic multi-scale method for turbulent premixed combustion

NASA Astrophysics Data System (ADS)

Cha, Chong M.

2002-11-01

The stochastic chemistry algorithm of Bunker et al. and Gillespie is used to perform the chemical reactions in a transported probability density function (PDF) modeling approach of turbulent combustion. Recently, Kraft & Wagner have demonstrated a 100-fold gain in computational speed (for a 100 species mechanism) using the stochastic approach over the conventional, direct integration method of solving for the chemistry. Here, the stochastic chemistry algorithm is applied to develop a new transported PDF model of turbulent premixed combustion. The methodology relies on representing the relevant spatially dependent physical processes as queuing events. The canonical problem of a one-dimensional premixed flame is used for validation. For the laminar case, molecular diffusion is described by a random walk. For the turbulent case, one of two different material transport submodels can provide the necessary closure: Taylor dispersion or Kerstein's one-dimensional turbulence approach. The former exploits ``eddy diffusivity'' and hence would be much more computationally tractable for practical applications. Various validation studies are performed. Results from the Monte Carlo simulations compare well to asymptotic solutions of laminar premixed flames, both with and without high activation temperatures. The correct scaling of the turbulent burning velocity is predicted in both Damköhler's small- and large-scale turbulence limits. The effect of applying the eddy diffusivity concept in the various regimes is discussed.

Numerical study of influence of molecular diffusion in the Mild combustion regime

NASA Astrophysics Data System (ADS)

Mardani, Amir; Tabejamaat, Sadegh; Ghamari, Mohsen

2010-09-01

In this paper, the importance of molecular diffusion versus turbulent transport in the moderate or intense low-oxygen dilution (Mild) combustion mode has been numerically studied. The experimental conditions of Dally et al. [Proc. Combust. Inst. 29 (2002) 1147-1154] were used for modelling. The EDC model was used to describe the turbulence-chemistry interaction. The DRM-22 reduced mechanism and the GRI 2.11 full mechanism were used to represent the chemical reactions of an H2/methane jet flame. The importance of molecular diffusion for various O2 levels, jet Reynolds numbers and H2 fuel contents was investigated. Results show that the molecular diffusion in Mild combustion cannot be ignored in comparison with the turbulent transport. Also, the method of inclusion of molecular diffusion in combustion modelling has a considerable effect on the accuracy of numerical modelling of Mild combustion. By decreasing the jet Reynolds number, decreasing the oxygen concentration in the airflow or increasing H2 in the fuel mixture, the influence of molecular diffusion on Mild combustion increases.

Modelling Detailed-Chemistry Effects on Turbulent Diffusion Flames using a Parallel Solution-Adaptive Scheme

NASA Astrophysics Data System (ADS)

Jha, Pradeep Kumar

Capturing the effects of detailed-chemistry on turbulent combustion processes is a central challenge faced by the numerical combustion community. However, the inherent complexity and non-linear nature of both turbulence and chemistry require that combustion models rely heavily on engineering approximations to remain computationally tractable. This thesis proposes a computationally efficient algorithm for modelling detailed-chemistry effects in turbulent diffusion flames and numerically predicting the associated flame properties. The cornerstone of this combustion modelling tool is the use of parallel Adaptive Mesh Refinement (AMR) scheme with the recently proposed Flame Prolongation of Intrinsic low-dimensional manifold (FPI) tabulated-chemistry approach for modelling complex chemistry. The effect of turbulence on the mean chemistry is incorporated using a Presumed Conditional Moment (PCM) approach based on a beta-probability density function (PDF). The two-equation k-w turbulence model is used for modelling the effects of the unresolved turbulence on the mean flow field. The finite-rate of methane-air combustion is represented here by using the GRI-Mech 3.0 scheme. This detailed mechanism is used to build the FPI tables. A state of the art numerical scheme based on a parallel block-based solution-adaptive algorithm has been developed to solve the Favre-averaged Navier-Stokes (FANS) and other governing partial-differential equations using a second-order accurate, fully-coupled finite-volume formulation on body-fitted, multi-block, quadrilateral/hexahedral mesh for two-dimensional and three-dimensional flow geometries, respectively. A standard fourth-order Runge-Kutta time-marching scheme is used for time-accurate temporal discretizations. Numerical predictions of three different diffusion flames configurations are considered in the present work: a laminar counter-flow flame; a laminar co-flow diffusion flame; and a Sydney bluff-body turbulent reacting flow

Advances in rapid compression machine studies of low- and intermediate-temperature autoignition phenomena

DOE PAGES

Goldsborough, S. Scott; Hochgreb, Simone; Vanhove, Guillaume; ...

2017-07-10

Rapid compression machines (RCMs) are widely-used to acquire experimental insights into fuel autoignition and pollutant formation chemistry, especially at conditions relevant to current and future combustion technologies. RCM studies emphasize important experimental regimes, characterized by low- to intermediate-temperatures (600–1200 K) and moderate to high pressures (5–80 bar). At these conditions, which are directly relevant to modern combustion schemes including low temperature combustion (LTC) for internal combustion engines and dry low emissions (DLE) for gas turbine engines, combustion chemistry exhibits complex and experimentally challenging behaviors such as the chemistry attributed to cool flame behavior and the negative temperature coefficient regime. Challengesmore » for studying this regime include that experimental observations can be more sensitive to coupled physical-chemical processes leading to phenomena such as mixed deflagrative/autoignitive combustion. Experimental strategies which leverage the strengths of RCMs have been developed in recent years to make RCMs particularly well suited for elucidating LTC and DLE chemistry, as well as convolved physical-chemical processes. Specifically, this work presents a review of experimental and computational efforts applying RCMs to study autoignition phenomena, and the insights gained through these efforts. A brief history of RCM development is presented towards the steady improvement in design, characterization, instrumentation and data analysis. Novel experimental approaches and measurement techniques, coordinated with computational methods are described which have expanded the utility of RCMs beyond empirical studies of explosion limits to increasingly detailed understanding of autoignition chemistry and the role of physical-chemical interactions. Fundamental insight into the autoignition chemistry of specific fuels is described, demonstrating the extent of knowledge of low-temperature chemistry

Advances in rapid compression machine studies of low- and intermediate-temperature autoignition phenomena

DOE Office of Scientific and Technical Information (OSTI.GOV)

Goldsborough, S. Scott; Hochgreb, Simone; Vanhove, Guillaume

Rapid compression machines (RCMs) are widely-used to acquire experimental insights into fuel autoignition and pollutant formation chemistry, especially at conditions relevant to current and future combustion technologies. RCM studies emphasize important experimental regimes, characterized by low- to intermediate-temperatures (600–1200 K) and moderate to high pressures (5–80 bar). At these conditions, which are directly relevant to modern combustion schemes including low temperature combustion (LTC) for internal combustion engines and dry low emissions (DLE) for gas turbine engines, combustion chemistry exhibits complex and experimentally challenging behaviors such as the chemistry attributed to cool flame behavior and the negative temperature coefficient regime. Challengesmore » for studying this regime include that experimental observations can be more sensitive to coupled physical-chemical processes leading to phenomena such as mixed deflagrative/autoignitive combustion. Experimental strategies which leverage the strengths of RCMs have been developed in recent years to make RCMs particularly well suited for elucidating LTC and DLE chemistry, as well as convolved physical-chemical processes. Specifically, this work presents a review of experimental and computational efforts applying RCMs to study autoignition phenomena, and the insights gained through these efforts. A brief history of RCM development is presented towards the steady improvement in design, characterization, instrumentation and data analysis. Novel experimental approaches and measurement techniques, coordinated with computational methods are described which have expanded the utility of RCMs beyond empirical studies of explosion limits to increasingly detailed understanding of autoignition chemistry and the role of physical-chemical interactions. Fundamental insight into the autoignition chemistry of specific fuels is described, demonstrating the extent of knowledge of low-temperature chemistry

High Impact Technology Compact Combustion (HITCC) Compact Core Technologies

DTIC Science & Technology

2016-01-01

3 2.1 Studies on the Effects of Centrifugal Force on the Performance of a High-G...characterize the performance of combustion systems. Fundamental flame studies provide insights into fluid mechanic and chemistry effects within...which capture fluid mechanic effects . Parametric studies are used to explore new design space and improve experiments. The third aspect of meeting the

Propellant combustion product analyses on an M16 rifle and a 105 mm caliber gun

DOE Office of Scientific and Technical Information (OSTI.GOV)

Ase, P.; Eisenberg, W.; Gordon, S.

1985-01-01

Some of the propellant combustion products (particulates and gases) that are formed on firing an M16 rifle and 105 mm caliber gun have been subjected to qualitative, and to a more limited extent, quantitative chemical analyses. For both weapons, large numbers of trace gas species, 90 to 70 respectively, were identified in the combustion effluents from the small large bore weapons. Quantifiable data were obtained for 15 of these species in terms of mass of compound formed per unit mass of propellant burned. Polynuclear aromatic hydrocarbons, 11 and 4 respectively, were identified and quantified in the combustion products from themore » small and large bore weapons. Metal particulates in the respirable range in the combustion products from the M16 rifle were analyzed and quantified. Many of the chemical species identified in the study have known toxicological properties. Although the data base is limited, it appears that within the confines of the different propellants' stoichiometries, the amounts of combustion products formed are approximately directly proportional to the masses of propellant burned.« less

Reduction of carbon content in waste-tire combustion ashes by bio-thermal treatment.

PubMed

Chen, Chun-Chi; Lee, Wen-Jhy; Shih, Shun-I; Mou, Jin-Luh

2009-11-01

Application of bio-catalyst (NOE-7F) in thermal treatment can adequately dispose dark-black fly ashes from co-combustion of both waste tires and coal. After thermal treatment of fly ashes by adding 10% NOE-7F, the carbon contents reduced by 37.6% and the weight losses increased by 405%, compared with the fly ashes without mixing with NOE-7F. The combustion behaviors of wasted tires combustion fly ashes with NOE-7F were also investigated by both thermogravimetric analysis (TGA) and differential thermal analysis (DTA). The results verify that NOE-7F has positive effects on the combustion of residual carbon and toxic polycyclic aromatic hydrocarbons (PAHs) enhance the energy release and reduce the toxicity during the process of thermal treatment. Furthermore, using NOE-7F to dispose high-carbon content fly ashes did improve the compressive strength of fly ashes and concrete mixtures. Therefore, NOE-7F is a promising additive which could decrease treatment cost of high-carbon content fly ashes and reduce the amount of survival toxic PAHs.

Reduction of carbon content in waste-tire combustion ashes by bio-thermal treatment

DOE Office of Scientific and Technical Information (OSTI.GOV)

Chen, C.C.; Lee, W.J.; Shih, S.I.

2009-07-01

Application of bio-catalyst (NOE-7F) in thermal treatment can adequately dispose dark-black fly ashes from co-combustion of both waste tires and coal. After thermal treatment of fly ashes by adding 10% NOE-7F, the carbon contents reduced by 37.6% and the weight losses increased by 405%, compared with the fly ashes without mixing with NOE-7F. The combustion behaviors of wasted tires combustion fly ashes with NOE-7F were also investigated by both thermogravimetric analysis (TGA) and differential thermal analysis (DTA). The results verify that NOE-7F has positive effects on the combustion of residual carbon and toxic polycyclic aromatic hydrocarbons (PAHs) enhance the energymore » release and reduce the toxicity during the process of thermal treatment. Furthermore, using NOE-7F to dispose high-carbon content fly ashes did improve the compressive strength of fly ashes and concrete mixtures. Therefore, NOE-7F is a promising additive which could decrease treatment cost of high-carbon content fly ashes and reduce the amount of survival toxic PAHs.« less

Effect of copper chloride on the emissions of PCDD/Fs and PAHs from PVC combustion.

PubMed

Wang, Dongli; Xu, Xiaobai; Zheng, Minghui; Chiu, Chung H

2002-09-01

The influences of temperature, air flow and the amount of copper chloride upon the types and amount of the toxic emissions such as polychlorinated dibenzo-p-dioxins and polychlorinated dibenzofurans (PCDD/Fs) and polycyclic aromatic hydrocarbons (PAHs) during combustion of polyvinyl chloride (PVC) were investigated. The mechanism concerning the effect of temperature and copper chloride on the PCDD/Fs and PAHs formation was discussed. The results shown that without copper chloride, trace amounts of PCDD/Fs and large amounts of PAHs were found in the emissions from the pure PVC combustion under various combustion conditions. The addition of copper chloride enhanced PCDD/Fs formation, but it seems that the formation of PAHs decreased with increasing amount of copper chloride, and greater total amount of PAHs were produced at the higher temperature under our experimental conditions.

On mathematical modelling of flameless combustion

DOE Office of Scientific and Technical Information (OSTI.GOV)

Mancini, Marco; Schwoeppe, Patrick; Weber, Roman

2007-07-15

A further analysis of the IFRF semi-industrial-scale experiments on flameless (mild) combustion of natural gas is carried out. The experimental burner features a strong oxidizer jet and two weak natural gas jets. Numerous publications have shown the inability of various RANS-based mathematical models to predict the structure of the weak jet. We have proven that the failure is in error predictions of the entrainment and therefore is not related to any chemistry submodels, as has been postulated. (author)

Nonequilibrium phase coexistence and criticality near the second explosion limit of hydrogen combustion

NASA Astrophysics Data System (ADS)

Newcomb, Lucas B.; Alaghemandi, Mohammad; Green, Jason R.

2017-07-01

While hydrogen is a promising source of clean energy, the safety and optimization of hydrogen technologies rely on controlling ignition through explosion limits: pressure-temperature boundaries separating explosive behavior from comparatively slow burning. Here, we show that the emergent nonequilibrium chemistry of combustible mixtures can exhibit the quantitative features of a phase transition. With stochastic simulations of the chemical kinetics for a model mechanism of hydrogen combustion, we show that the boundaries marking explosive domains of kinetic behavior are nonequilibrium critical points. Near the pressure of the second explosion limit, these critical points terminate the transient coexistence of dynamical phases—one that autoignites and another that progresses slowly. Below the critical point temperature, the chemistry of these phases is indistinguishable. In the large system limit, the pseudo-critical temperature converges to the temperature of the second explosion limit derived from mass-action kinetics.

A transported probability density function/photon Monte Carlo method for high-temperature oxy-natural gas combustion with spectral gas and wall radiation

NASA Astrophysics Data System (ADS)

Zhao, X. Y.; Haworth, D. C.; Ren, T.; Modest, M. F.

2013-04-01

A computational fluid dynamics model for high-temperature oxy-natural gas combustion is developed and exercised. The model features detailed gas-phase chemistry and radiation treatments (a photon Monte Carlo method with line-by-line spectral resolution for gas and wall radiation - PMC/LBL) and a transported probability density function (PDF) method to account for turbulent fluctuations in composition and temperature. The model is first validated for a 0.8 MW oxy-natural gas furnace, and the level of agreement between model and experiment is found to be at least as good as any that has been published earlier. Next, simulations are performed with systematic model variations to provide insight into the roles of individual physical processes and their interplay in high-temperature oxy-fuel combustion. This includes variations in the chemical mechanism and the radiation model, and comparisons of results obtained with versus without the PDF method to isolate and quantify the effects of turbulence-chemistry interactions and turbulence-radiation interactions. In this combustion environment, it is found to be important to account for the interconversion of CO and CO2, and radiation plays a dominant role. The PMC/LBL model allows the effects of molecular gas radiation and wall radiation to be clearly separated and quantified. Radiation and chemistry are tightly coupled through the temperature, and correct temperature prediction is required for correct prediction of the CO/CO2 ratio. Turbulence-chemistry interactions influence the computed flame structure and mean CO levels. Strong local effects of turbulence-radiation interactions are found in the flame, but the net influence of TRI on computed mean temperature and species profiles is small. The ultimate goal of this research is to simulate high-temperature oxy-coal combustion, where accurate treatments of chemistry, radiation and turbulence-chemistry-particle-radiation interactions will be even more important.

Catalytic Chemistry of Hydrocarbon Conversion Reactions on Metallic Single Crystals

NASA Astrophysics Data System (ADS)

Tysoe, Wilfred T.

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

Characteristics and combustion of future hydrocarbon fuels. [aircraft fuels

NASA Technical Reports Server (NTRS)

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

1978-01-01

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

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

PubMed

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.

Ignition delays, heats of combustion, and reaction rates of aluminum alkyl derivatives used as ignition and combustion enhancers for supersonic combustors

NASA Technical Reports Server (NTRS)

Ryan, T. W., III; Harlowe, W. W.; Schwab, S.

1992-01-01

The work was based on adapting an apparatus and procedure developed at Southwest Research Institute for rating the ignition quality of fuels for diesel engines. Aluminum alkyls and various Lewis-base adducts of these materials, both neat and mixed 50/50 with pure JP-10 hydrocarbon, were injected into the combustion bomb using a high-pressure injection system. The bomb was pre-charged with air that was set at various initial temperatures and pressures for constant oxygen density. The ignition delay times were determined for the test materials at these different initial conditions. The data are presented in absolute terms as well as comparisons with the parent alkyls. The relative heats of reaction of the various test materials were estimated based on a computation of the heat release, using the pressure data recorded during combustion in the bomb. In addition, the global reaction rates for each material were compared at a selected tmperature and pressure.

{Polycyclic aromatic hydrocarbons (PAHs) and aliphatic hydrocarbons in gas and particle phases in two sites of Mexico: MILAGRO project}

NASA Astrophysics Data System (ADS)

Amador-Muñoz, O.; Villalobos-Pietrini, R.; Castro, T.; Gaspariano-Larino, R.

2009-04-01

Aliphatic hydrocarbons are markers of anthropogenic and biogenic emission sources1; meanwhile PAHs are generated by incomplete combustion sources2. The last ones are important compounds due to their carcinogenic and mutagenic properties3,4. The aim of this study was to identify and quantify aliphatic hydrocarbons and PAHs in gas and particles phases of the atmospheric aerosol and to determine the day and night time behavior during the MILAGRO (Megacity Initiative: Local Global and Research Observations) campaign. The gas phase was collected on polyurethane foam, while particles less than 2.5 m (PM2.5) were collected on glass fiber filters covered with Teflon (TIGF, pallflex) of 8x10 in. Samplings were carried out with a high volume sampler (Tisch) with a flow of 1.13 m3 min-1 at two sites: Instituto Mexicano del Petróleo (T0) and Tecamac (T1) located at North and Northeast of Mexico City, respectively during day (7:00 am-7:00 pm) and night time (7:00 pm-7:00 am) from 1 to 29 of March, 2006. Ninteen PAHs and 23 aliphatic hydrocarbons from n-C13H28 to n-C35H72 were analyzed by gas chromatography coupled to mass spectrometry in impact mode. The samples were spiked with deuterads PAHs and aliphatics hydrocarbons before ultrasound extraction. Medians comparisons were made with Mann-Whitney U test. PAHs with molecular weight (MW) less than 228 g mol-1 were distributed in the gas phase, in both sites. Higher concentrations of PAHs ≥ 228 g mol-1 in PM2.5, were observed during night period (p

Mutagenicity assessment of aerosols in emissions from domestic combustion processes.

PubMed

Canha, Nuno; Lopes, Isabel; Vicente, Estela Domingos; Vicente, Ana M; Bandowe, Benjamin A Musa; Almeida, Susana Marta; Alves, Célia A

2016-06-01

Domestic biofuel combustion is one of the major sources of regional and local air pollution, mainly regarding particulate matter and organic compounds, during winter periods. Mutagenic and carcinogenic activity potentials of the ambient particulate matter have been associated with the fraction of polycyclic aromatic hydrocarbons (PAH) and their oxygenated (OPAH) and nitrogenated (NPAH) derivatives. This study aimed at assessing the mutagenicity potential of the fraction of this polycyclic aromatic compound in particles (PM10) from domestic combustion by using the Ames assays with Salmonella typhimurium TA98 and TA100. Seven biofuels, including four types of pellets and three agro-fuels (olive pit, almond shell and shell of pine nuts), were tested in an automatic pellet stove, and two types of wood (Pinus pinaster, maritime pine, and Eucalyptus globulus, eucalypt) were burned in a traditional wood stove. For this latter appliance, two combustion phases-devolatilisation and flaming/smouldering-were characterised separately. A direct-acting mutagenic effect for the devolatilisation phase of pine combustion and for both phases of eucalypt combustion was found. Almond shell revealed a weak direct-acting mutagenic effect, while one type of pellets, made of recycled wastes, and pine (devolatilisation) presented a cytotoxic effect towards strain TA100. Compared to the manually fired appliance, the automatic pellet stove promoted lower polyaromatic mutagenic emissions. For this device, only two of the studied biofuels presented a weak mutagenic or cytotoxic potential.

Underground thermal generation of hydrocarbons from dry, southwestern coals

DOE Office of Scientific and Technical Information (OSTI.GOV)

Vanderborgh, N.E.; Elliott, G.R.B.

1978-01-01

The LASL underground coal conversion concept produces intermediate-BTU fuel gas for nearby industries such as ''minemouth'' electric power plants, plus major byproducts in the form of liquid and gaseous hydrocarbons for feedstocks to chemical plants e.g., substitute natural gas (SNG) producers. The concept involves controlling the water influx and drying the coal, generating hydrocarbons, by pyrolysis and finally gasifying the residual char with O/sub 2//CO/sub 2/ or air/CO/sub 2/ mixtures to produce industrial fuel gases. Underground conversion can be frustrated by uncontrolled water in the coal bed. Moisture can (a) prevent combustion, (b) preclude fuel gas formation by lowering reactionmore » zone temperatures and creating kinetic problems, (c) ruin product gas quality by dropping temperatures into a thermodynamically unsatisfactory regime, (d) degrade an initially satisfactory fuel gas by consuming carbon monoxide, (e) waste large amounts of heat, and (f) isolate reaction zones so that the processing will bypass blocks of coal.« less

Large Eddy Simulations of Colorless Distributed Combustion Systems

NASA Astrophysics Data System (ADS)

Abdulrahman, Husam F.; Jaberi, Farhad; Gupta, Ashwani

2014-11-01

Development of efficient and low-emission colorless distributed combustion (CDC) systems for gas turbine applications require careful examination of the role of various flow and combustion parameters. Numerical simulations of CDC in a laboratory-scale combustor have been conducted to carefully examine the effects of these parameters on the CDC. The computational model is based on a hybrid modeling approach combining large eddy simulation (LES) with the filtered mass density function (FMDF) equations, solved with high order numerical methods and complex chemical kinetics. The simulated combustor operates based on the principle of high temperature air combustion (HiTAC) and has shown to significantly reduce the NOx, and CO emissions while improving the reaction pattern factor and stability without using any flame stabilizer and with low pressure drop and noise. The focus of the current work is to investigate the mixing of air and hydrocarbon fuels and the non-premixed and premixed reactions within the combustor by the LES/FMDF with the reduced chemical kinetic mechanisms for the same flow conditions and configurations investigated experimentally. The main goal is to develop better CDC with higher mixing and efficiency, ultra-low emission levels and optimum residence time. The computational results establish the consistency and the reliability of LES/FMDF and its Lagrangian-Eulerian numerical methodology.

Effect of chemistry and turbulence on NO formation in oxygen-natural gas flames

NASA Technical Reports Server (NTRS)

Samaniego, J. -M.; Egolfopoulos, F. N.; Bowman, C. T.

1996-01-01

The effects of chemistry and turbulence on NO formation in oxygen-natural turbulent diffusion flames gas flames have been investigated. The chemistry of nitric oxides has been studied numerically in the counterflow configuration. Systematic calculations with the GRI 2.11 mechanism for combustion of methane and NO chemistry were conducted to provide a base case. It was shown that the 'simple' Zeldovich mechanism accounts for more than 75% of N2 consumption in the flame in a range of strain-rates varying between 10 and 1000 s-l. The main shortcomings of this mechanism are: 1) overestimation (15%) of the NO production rate at low strain-rates because it does not capture the reburn due to the hydrocarbon chemistry, and 2) underestimation (25%) of the NO production rate at high strainrates because it ignores NO production through the prompt mechanism. Reburn through the Zeldovich mechanism alone proves to be significant at low strain-rates. A one-step model based on the Zeldovich mechanism and including reburn has been developed. It shows good agreement with the GRI mechanism at low strain-rates but underestimates significantly N2 consumption (about 50%) at high strain-rates. The role of turbulence has been assessed by using an existing 3-D DNS data base of a diffusion flame in decaying turbulence. Two PDF closure models used in practical industrial codes for turbulent NO formation have been tested. A simpler version of the global one-step chemical scheme for NO compared to that developed in this study was used to test the closure assumptions of the PDF models, because the data base could not provide all the necessary ingredients. Despite this simplification, it was possible to demonstrate that the current PDF models for NO overestimate significantly the NO production rate due to the fact that they neglect the correlations between the fluctuations in oxygen concentration and temperature. A single scalar PDF model for temperature that accounts for such correlations based

AFRL Combustion Science Branch Research Activities and Capabilities

DTIC Science & Technology

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

JPRS Report, Science & Technology, USSR: Chemistry

DTIC Science & Technology

1990-11-30

1990 2 USSR: Chemistry High Temperature Electrochemical Synthesis of Intermetallic Titanium Iron Compounds [V. I. Shapoval, L. I. Zarubitskaya, et al...Method for Increasing Level of Hydrogen Sulfide Purging From Coke Oven Gas [N. K. Smolyakov; KOKS I KHIMIYA, No 1, Jan 90] 18 Increasing...TVERDOGO TOPLIVA No 3, May-Jun 90] 19 Effect of Iron -ore Catalysts in Processes of Hydrogenation of Coal and Polycyclic Hydrocarbons [V. I

Hot-Fire Test Results of an Oxygen/RP-2 Multi-Element Oxidizer-Rich Staged-Combustion Integrated Test Article

NASA Technical Reports Server (NTRS)

Hulka, J. R.; Protz, C. S.; Garcia, C. P.; Casiano, M. J.; Parton, J. A.

2016-01-01

As part of the Combustion Stability Tool Development project funded by the Air Force Space and Missile Systems Center, the NASA Marshall Space Flight Center was contracted to assemble and hot-fire test a multi-element integrated test article demonstrating combustion characteristics of an oxygen/hydrocarbon propellant oxidizer-rich staged-combustion engine thrust chamber. Such a test article simulates flow through the main injectors of oxygen/kerosene oxidizer-rich staged combustion engines such as the Russian RD-180 or NK-33 engines, or future U.S.-built engine systems such as the Aerojet-Rocketdyne AR-1 engine or the Hydrocarbon Boost program demonstration engine. For the thrust chamber assembly of the test article, several configurations of new main injectors, using relatively conventional gas-centered swirl coaxial injector elements, were designed and fabricated. The design and fabrication of these main injectors are described in a companion paper at this JANNAF meeting. New ablative combustion chambers were fabricated based on hardware previously used at NASA for testing at similar size and pressure. An existing oxygen/RP-1 oxidizer-rich subscale preburner injector from a previous NASA-funded program, along with existing and new inter-connecting hot gas duct hardware, were used to supply the oxidizer-rich combustion products to the oxidizer circuit of the main injector of the thrust chamber. Results from independent hot-fire tests of the preburner injector in a combustion chamber with a sonic throat are described in companion papers at this JANNAF conference. The resulting integrated test article - which includes the preburner, inter-connecting hot gas duct, main injector, and ablative combustion chamber - was assembled at Test Stand 116 at the East Test Area of the NASA Marshall Space Flight Center. The test article was well instrumented with static and dynamic pressure, temperature, and acceleration sensors to allow the collected data to be used for

Evidence for strong, widespread chlorine radical chemistry associated with pollution outflow from continental Asia

PubMed Central

Baker, Angela K.; Sauvage, Carina; Thorenz, Ute R.; van Velthoven, Peter; Oram, David E.; Zahn, Andreas; Brenninkmeijer, Carl A. M.; Williams, Jonathan

2016-01-01

The chlorine radical is a potent atmospheric oxidant, capable of perturbing tropospheric oxidative cycles normally controlled by the hydroxyl radical. Significantly faster reaction rates allow chlorine radicals to expedite oxidation of hydrocarbons, including methane, and in polluted environments, to enhance ozone production. Here we present evidence, from the CARIBIC airborne dataset, for extensive chlorine radical chemistry associated with Asian pollution outflow, from airborne observations made over the Malaysian Peninsula in winter. This region is known for persistent convection that regularly delivers surface air to higher altitudes and serves as a major transport pathway into the stratosphere. Oxidant ratios inferred from hydrocarbon relationships show that chlorine radicals were regionally more important than hydroxyl radicals for alkane oxidation and were also important for methane and alkene oxidation (>10%). Our observations reveal pollution-related chlorine chemistry that is both widespread and recurrent, and has implications for tropospheric oxidizing capacity, stratospheric composition and ozone chemistry. PMID:27845366

Simulation of a hydrocarbon fueled scramjet exhaust

NASA Technical Reports Server (NTRS)

Leng, J.

1982-01-01

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

Low-Temperature Combustion of High Octane Fuels in a Gasoline Compression Ignition Engine

DOE PAGES

Cung, Khanh Duc; Ciatti, Stephen Anthony; Tanov, Slavey; ...

2017-12-21

Gasoline Compression Ignition (GCI) has been shown as one of the advanced combustion concepts that could potentially provide a pathway to achieve cleaner and more efficient combustion engines. Fuel and air in GCI are not fully premixed as compared to homogeneous charge compression ignition (HCCI) which is a completely kinetic-controlled combustion system. Therefore, the combustion phasing can be controlled by the time of injection, usually post injection in a multiple-injection scheme, to mitigate combustion noise. Gasoline fuels ignite more difficult than Diesel. The autoignition quality of gasoline can be indicated by research octane number (RON). Fuels with high octane tendmore » to have more resistance to auto-ignition, hence more time for fuel-air mixing. In this study, three fuels, namely, Aromatic, Alkylate, and E30, with similar RON value of 98 but different hydrocarbon compositions were tested in a multi-cylinder engine under GCI combustion mode. Considerations of EGR, start of injection (SOI), and boost were investigated to study the sensitivity of dilution, local stratification, and reactivity of the charge, respectively, for each fuel. Combustion phasing was kept constant during the experiments to the changes in ignition and combustion process before and after 50% of the fuel mass is burned. Emission characteristics at different levels of EGR and lambda were revealed for all fuels with E30 having the lowest filter smoke number (FSN) and was also most sensitive to the change in dilution. Reasonably low combustion noise (< 90 dB) and stable combustion (COVIMEP < 3%) were maintained during the experiments. The second part of this paper contains visualization of the combustion process obtained from endoscope imaging for each fuel at selected conditions. Soot radiation signal from GCI combustion were strong during late injection, and also more intense at low EGR conditions. Furthermore, soot/temperature profiles indicated only the high

Low-Temperature Combustion of High Octane Fuels in a Gasoline Compression Ignition Engine

DOE Office of Scientific and Technical Information (OSTI.GOV)

Cung, Khanh Duc; Ciatti, Stephen Anthony; Tanov, Slavey

Gasoline Compression Ignition (GCI) has been shown as one of the advanced combustion concepts that could potentially provide a pathway to achieve cleaner and more efficient combustion engines. Fuel and air in GCI are not fully premixed as compared to homogeneous charge compression ignition (HCCI) which is a completely kinetic-controlled combustion system. Therefore, the combustion phasing can be controlled by the time of injection, usually post injection in a multiple-injection scheme, to mitigate combustion noise. Gasoline fuels ignite more difficult than Diesel. The autoignition quality of gasoline can be indicated by research octane number (RON). Fuels with high octane tendmore » to have more resistance to auto-ignition, hence more time for fuel-air mixing. In this study, three fuels, namely, Aromatic, Alkylate, and E30, with similar RON value of 98 but different hydrocarbon compositions were tested in a multi-cylinder engine under GCI combustion mode. Considerations of EGR, start of injection (SOI), and boost were investigated to study the sensitivity of dilution, local stratification, and reactivity of the charge, respectively, for each fuel. Combustion phasing was kept constant during the experiments to the changes in ignition and combustion process before and after 50% of the fuel mass is burned. Emission characteristics at different levels of EGR and lambda were revealed for all fuels with E30 having the lowest filter smoke number (FSN) and was also most sensitive to the change in dilution. Reasonably low combustion noise (< 90 dB) and stable combustion (COVIMEP < 3%) were maintained during the experiments. The second part of this paper contains visualization of the combustion process obtained from endoscope imaging for each fuel at selected conditions. Soot radiation signal from GCI combustion were strong during late injection, and also more intense at low EGR conditions. Furthermore, soot/temperature profiles indicated only the high

Radiation chemistry in the Jovian stratosphere - Laboratory simulations

NASA Technical Reports Server (NTRS)

Mcdonald, Gene D.; Thompson, W. R.; Sagan, Carl

1992-01-01

The results of the present low-pressure/continuous-flow laboratory simulations of H2/He/CH4/NH3 atmospheres' plasma-induced chemistry indicate radiation yields of both hydrocarbon and N2-containing organic compounds which increase with decreasing pressure. On the basis of these findings, upper limits of 1 million-1 billion molecules/sq cm/sec are established for production rates of major auroral-chemistry species in the Jovian stratosphere. It is noted that auroral processes may account for 10-100 percent of the total abundances of most of the observed polar-region organic species.

Ablation in the slit in combustion

NASA Astrophysics Data System (ADS)

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.

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

PubMed

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.

CHEMISTRY OF OXIDATION OF POLYCYCLIC AROMATIC HYDROCARBONS BY SOIL PSEUDOMONADS

PubMed Central

Rogoff, Martin H.

1962-01-01

Rogoff, Martin H. (U.S. Bureau of Mines, Pittsburgh, Pa.). Oxidation of polycyclic aromatic hydrocarbons by soil pseudomonads. J. Bacteriol. 83:998–1004. 1962.—Substitution of phenanthrene by a methyl group at the 9-carbon blocks oxidation of the compound by a resting-cell suspension of a phenanthrene-grown soil pseudomonad. When 2-methylphenanthrene is provided, the oxidation rate is considerably higher; 3-methylphenanthrene is oxidized at a rate intermediate between the other two, even though the methyl group is attached to a carbon directly involved in ring splitting. Cells grown on naphthalene or anthracene oxidize phenanthrene at a much lower rate than cells grown with phenanthrene or 2-methylnaphthalene as the source of carbon. Naphthalene-grown cells also absorb less phenanthrene from aqueous solution than do their phenanthrene-grown counterparts. The data are in keeping with the hypothesis that polynuclear aromatic hydrocarbons attach to the relevant bacterial enzymes at carbon-carbon bonds of high electron density (K regions; localized double bonds), and that the ring-splitting reactions then occur at other bonds on the substrate molecule. The actual bond that undergoes fission is determined by the electronic and steric configurations of the enzyme-substrate complex. When linearly arranged aromatic compounds such as naphthalene or anthracene are attacked, attachment to an enzyme and ring splitting may take place on the same ring; angular aromatic compounds such as phenanthrene afford attachment to an enzyme at a bond in a ring other than the one containing the ring-splitting site. PMID:14493381

Chemical Studies of Free Radical Relocalization

DTIC Science & Technology

2015-01-13

Park, NC 27709-2211 combustion intermediates, rel;ocalization, infrared spectroscopy , computational quantum chemistry REPORT DOCUMENTATION PAGE 11...organotransition metal catalysis are underway. Summary of important results: I. Laboratory Spectroscopy of Gas-phase Hydrocarbon Radicals. We have carried out line...combination of gas-phase laboratory spectroscopy , photochemical studies, and ab initio computations. (1) Spectroscopy . Survey scans between 1800 and

Nitric oxide reduction in coal combustion: role of char surface complexes in heterogeneous reactions.

PubMed

Arenillas, Ana; Rubiera, Fernando; Pis, José J

2002-12-15

Nitrogen oxides are one of the major environmental problems arising from fossil fuel combustion. Coal char is relatively rich in nitrogen, and so this is an important source of nitrogen oxides during coal combustion. However, due to its carbonaceous nature, char can also reduce NO through heterogeneous reduction. The objectives of this work were on one hand to compare NO emissions from coal combustion in two different types of equipment and on the other hand to study the influence of char surface chemistry on NO reduction. A series of combustion tests were carried out in two different scale devices: a thermogravimetric analyzer coupled to a mass spectrometer and an FTIR (TG-MS-FTIR) and a fluidized bed reactor with an on line battery of analyzers. The TG-MS-FTIR system was also used to perform a specific study on NO heterogeneous reduction reactions using chars with different surface chemistry. According to the results obtained, it can be said that the TG-MS-FTIR system provides valuable information about NO heterogeneous reduction and it can give good trends of the behavior in other combustion equipments (i.e., fluidized bed combustors). It has been also pointed out that NO-char interaction depends to a large extent on temperature. In the low-temperature range (<800 degrees C), NO heterogeneous reduction seems to be controlled by the evolution of surface complexes. In the high-temperature range (>800 degrees C), a different mechanism is involved in NO heterogeneous reduction, the nature of the carbon matrix being a key factor.

Sediment-associated aliphatic and aromatic hydrocarbons in coastal British Columbia, Canada: concentrations, composition, and associated risks to protected sea otters.

PubMed

Harris, Kate A; Yunker, Mark B; Dangerfield, Neil; Ross, Peter S

2011-10-01

Sediment-associated hydrocarbons can pose a risk to wildlife that rely on benthic marine food webs. We measured hydrocarbons in sediments from the habitat of protected sea otters in coastal British Columbia, Canada. Alkane concentrations were dominated by higher odd-chain n-alkanes at all sites, indicating terrestrial plant inputs. While remote sites were dominated by petrogenic polycyclic aromatic hydrocarbons (PAHs), small harbour sites within sea otter habitat and sites from an urban reference area reflected weathered petroleum and biomass and fossil fuel combustion. The partitioning of hydrocarbons between sediments and adjacent food webs provides an important exposure route for sea otters, as they consume ∼25% of their body weight per day in benthic invertebrates. Thus, exceedences of PAH sediment quality guidelines designed to protect aquatic biota at 20% of the sites in sea otter habitat suggest that sea otters are vulnerable to hydrocarbon contamination even in the absence of catastrophic oil spills. Copyright © 2011 Elsevier Ltd. All rights reserved.

Experimental investigations on active cooling thermal protection structure of hydrocarbon-fueled scramjet combustor in arc heated facility

NASA Astrophysics Data System (ADS)

Jianqiang, Tu; Jinlong, Peng; Xianning, Yang; Lianzhong, Chen

2016-10-01

The active cooling thermal protection technology is the efficient method to resolve the long-duration work and reusable problems of hydrocarbon-fueled scramjet combustor, where worst thermo-mechanical loads occur. The fuel is passed through coolant channels adjacent to the heated surfaces to absorb heat from the heating exchanger panels, prior to injection into the combustor. The heating exchanger both cooled down the wall temperature of the combustor wall and heats and cracks the hydrocarbon fuel inside the panel to permit an easier combustion and satisfying combustion efficiency. The subscale active cooling metallic panels, with dimensions of 100×100 mm and different coolant channel sizes, have been tested under typical combustion thermal environment produced by arc heated Turbulent Flow Duct (TFD). The heat exchange ability of different coolant channel sizes has been obtained. The big-scale active cooling metallic panel, with dimensions of 100 × 750 mm and the coolant channel sizes of better heating exchange performance, has been made and tested in the big-scale arc heated TFD facility. The test results show that the local superheated ablation is easy to happen for the cooling fuel assigned asymmetrically in the bigscale active cooling metallic panel, and the cooling fuel rate can reduce 8%˜10% after spraying the Thermal Barrier Coating (TBC) in the heating surface.

From fire whirls to blue whirls and combustion with reduced pollution.

PubMed

Xiao, Huahua; Gollner, Michael J; Oran, Elaine S

2016-08-23

Fire whirls are powerful, spinning disasters for people and surroundings when they occur in large urban and wildland fires. Whereas fire whirls have been studied for fire-safety applications, previous research has yet to harness their potential burning efficiency for enhanced combustion. This article presents laboratory studies of fire whirls initiated as pool fires, but where the fuel sits on a water surface, suggesting the idea of exploiting the high efficiency of fire whirls for oil-spill remediation. We show the transition from a pool fire, to a fire whirl, and then to a previously unobserved state, a "blue whirl." A blue whirl is smaller, very stable, and burns completely blue as a hydrocarbon flame, indicating soot-free burning. The combination of fast mixing, intense swirl, and the water-surface boundary creates the conditions leading to nearly soot-free combustion. With the worldwide need to reduce emissions from both wanted and unwanted combustion, discovery of this state points to possible new pathways for reduced-emission combustion and fuel-spill cleanup. Because current methods to generate a stable vortex are difficult, we also propose that the blue whirl may serve as a research platform for fundamental studies of vortices and vortex breakdown in fluid mechanics.

From fire whirls to blue whirls and combustion with reduced pollution

NASA Astrophysics Data System (ADS)

Xiao, Huahua; Gollner, Michael J.; Oran, Elaine S.

2016-08-01

Fire whirls are powerful, spinning disasters for people and surroundings when they occur in large urban and wildland fires. Whereas fire whirls have been studied for fire-safety applications, previous research has yet to harness their potential burning efficiency for enhanced combustion. This article presents laboratory studies of fire whirls initiated as pool fires, but where the fuel sits on a water surface, suggesting the idea of exploiting the high efficiency of fire whirls for oil-spill remediation. We show the transition from a pool fire, to a fire whirl, and then to a previously unobserved state, a “blue whirl.” A blue whirl is smaller, very stable, and burns completely blue as a hydrocarbon flame, indicating soot-free burning. The combination of fast mixing, intense swirl, and the water-surface boundary creates the conditions leading to nearly soot-free combustion. With the worldwide need to reduce emissions from both wanted and unwanted combustion, discovery of this state points to possible new pathways for reduced-emission combustion and fuel-spill cleanup. Because current methods to generate a stable vortex are difficult, we also propose that the blue whirl may serve as a research platform for fundamental studies of vortices and vortex breakdown in fluid mechanics.

From fire whirls to blue whirls and combustion with reduced pollution

PubMed Central

Xiao, Huahua; Oran, Elaine S.

2016-01-01

Fire whirls are powerful, spinning disasters for people and surroundings when they occur in large urban and wildland fires. Whereas fire whirls have been studied for fire-safety applications, previous research has yet to harness their potential burning efficiency for enhanced combustion. This article presents laboratory studies of fire whirls initiated as pool fires, but where the fuel sits on a water surface, suggesting the idea of exploiting the high efficiency of fire whirls for oil-spill remediation. We show the transition from a pool fire, to a fire whirl, and then to a previously unobserved state, a “blue whirl.” A blue whirl is smaller, very stable, and burns completely blue as a hydrocarbon flame, indicating soot-free burning. The combination of fast mixing, intense swirl, and the water–surface boundary creates the conditions leading to nearly soot-free combustion. With the worldwide need to reduce emissions from both wanted and unwanted combustion, discovery of this state points to possible new pathways for reduced-emission combustion and fuel-spill cleanup. Because current methods to generate a stable vortex are difficult, we also propose that the blue whirl may serve as a research platform for fundamental studies of vortices and vortex breakdown in fluid mechanics. PMID:27493219

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

DOE PAGES

Osborn, David L.

2017-03-15

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 andmore » 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.« less

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

DOE Office of Scientific and Technical Information (OSTI.GOV)

Osborn, David L.

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 andmore » 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.« less

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

ERIC Educational Resources Information Center

Wilbraham, A. C.

1979-01-01

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

Thermocatalytic process for CO.sub.2-free production of hydrogen and carbon from hydrocarbons

DOEpatents

Muradov, Nazim Z [Melbourne, FL

2011-08-23

A novel process and apparatus are disclosed for sustainable CO.sub.2-free production of hydrogen and carbon by thermocatalytic decomposition (dissociation, pyrolysis, cracking) of hydrocarbon fuels over carbon-based catalysts in the absence of air and/or water. The apparatus and thermocatalytic process improve the activity and stability of carbon catalysts during the thermocatalytic process and produce both high purity hydrogen (at least, 99.0 volume %) and carbon, from any hydrocarbon fuel, including sulfurous fuels. In a preferred embodiment, production of hydrogen and carbon is achieved by both internal and external activation of carbon catalysts. Internal activation of carbon catalyst is accomplished by recycling of hydrogen-depleted gas containing unsaturated and aromatic hydrocarbons back to the reactor. External activation of the catalyst can be achieved via surface gasification with hot combustion gases during catalyst heating. The process and apparatus can be conveniently integrated with any type of fuel cell to generate electricity.

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

PubMed

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

2016-08-01

The characteristic distribution patterns of hydrocarbons have been used for fingerprinting to identify their sources. The historical air depositions of hydrocarbons recorded in natural media help to understand the evolution of the air environment. Travertine is a natural acceptor of air deposition that settles on the ground layer by layer. To reconstruct the historical air environment of hydrocarbons in the North Tibetan Plateau (NTP), a unique background region, twenty-seven travertine samples were collected systematically from a travertine column according to its precipitated year. For each sample, the precipitated year was dated while n-alkanes and polycyclic aromatic hydrocarbons (PAHs) were determined. Based on source identification, the air environment of hydrocarbons in the past century was studied for the region of NTP. Before World War II, the anthropogenic sources of hydrocarbons showed little influence on the air environment. During World War II and China's War of Liberation, hydrocarbons increased significantly, mainly from the use of fossil fuels. Between 1954 and 1963, hydrocarbons in the air decreased significantly because the sources of petroleum combustion decreased. From the mid-1960s through the end of the 1990s, air hydrocarbons, which mainly originated from biomass burning, increased gradually because agriculture and animal husbandry were developing steadily in Tibet and China. From the late 1990s, hydrocarbons in the atmosphere increased rapidly due to the rapid increase of tourism activities, which might increase hydrocarbon emissions from traffic. The reconstruction of the historical air hydrocarbons in NTP clearly reflects the evolution of the region and global development. Copyright © 2016 Elsevier B.V. All rights reserved.

Polycyclic aromatic hydrocarbons, aliphatic hydrocarbons, trace elements and monooxygenase activity in birds nesting on the North Platte River, Casper, Wyoming, USA

USGS Publications Warehouse

Custer, T.W.; Custer, Christine M.; Dickerson, K.; Allen, K.; Melancon, M.J.; Schmidt, L.J.

2001-01-01

Tree swallow (Tachycineta bicolor) and house wren (Troglodytes aedon) eggs and chicks were collected near a refinery site on the North Platte River, Casper, Wyoming, USA and at a reference site 10 km upstream. Total polycylic aromatic hydrocarbon (PAH) concentrations in swallow and wren chicks were higher at the refinery site than at the reference site. Polycylic aromatic hydrocarbon concentrations in sediment and chick dietary samples were consistent with these findings. The general lack of methylated PAHs in sediment, diet, and bird carcasses suggested that the PAHs were derived from combustion and not from petroleum. The predominance of odd numbered aliphatic hydrocarbons and the low ratios (≤ 0.25) of pristane: n-C17 and phytane: n-C18 in chick and diet samples also suggested that swallow and wren chicks were not being chronically exposed to petroleum. Mean ethoxyresorufin-O-dealkylase and benzyloxyresorufin-O-dealkylase activities in tree swallow livers averaged nine times higher at the refinery site than at the reference site and were probably induced by exposure to PAHs. Trace element concentrations in eggs and livers of swallows and wrens were similar or greater at the reference site than at the refinery site. Selenium, strontium, and boron concentrations were elevated in eggs and livers of swallows and wrens at both the refinery and reference sites.

Organic chemistry on Titan

NASA Technical Reports Server (NTRS)

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

1979-01-01

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

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

ERIC Educational Resources Information Center

Akers, Stephen M.; Conkle, Jeremy L.; Thomas, Stephanie N.; Rider, Keith B.

2006-01-01

Biodiesel was synthesized by transesterification of waste vegetable oil using common glassware and reagents, and characterized by measuring heat of combustion, cloud point, density and measuring the heat of combustion and density together allows the student the energy density of the fuel. Analyzing the biodiesel can serve as a challenging and…

Probing Combustion Chemistry in a Miniature Shock Tube with Synchrotron VUV Photo Ionization Mass Spectrometry

DOE Office of Scientific and Technical Information (OSTI.GOV)

Lynch, Patrick T.; Troy, Tyler P.; Ahmed, Musahid

2015-01-29

Tunable synchrotron-sourced photoionization time-of-flight mass spectrometry (PI-TOF-MS) is an important technique in combustion chemistry, complementing lab-scale electron impact and laser photoionization studies for a wide variety of reactors, typically at low pressure. For high-temperature and high-pressure chemical kinetics studies, the shock tube is the reactor of choice. Extending the benefits of shock tube/TOF-MS research to include synchrotron sourced PI-TOF-MS required a radical reconception of the shock tube. An automated, miniature, high-repetition-rate shock tube was developed and can be used to study high-pressure reactive systems (T > 600 K, P < 100 bar) behind reflected shock waves. In this paper, wemore » present results of a PI-TOF-MS study at the Advanced Light Source at Lawrence Berkeley National Laboratory. Dimethyl ether pyrolysis (2% CH3OCH3/Ar) was observed behind the reflected shock (1400 < T-5 < 1700 K, 3 < P-5 < 16 bar) with ionization energies between 10 and 13 eV. Individual experiments have extremely low signal levels. However, product species and radical intermediates are well-resolved when averaging over hundreds of shots, which is ordinarily impractical in conventional shock tube studies. The signal levels attained and data throughput rates with this technique are comparable to those with other synchrotron-based PI-TOF-MS reactors, and it is anticipated that this high pressure technique will greatly complement those lower pressure techniques.« less

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

EPA Science Inventory

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

Effect of grain port length-diameter ratio on combustion performance in hybrid rocket motors

NASA Astrophysics Data System (ADS)

Cai, Guobiao; Zhang, Yuanjun; Tian, Hui; Wang, Pengfei; Yu, Nanjia

2016-11-01

The objectives of this study are to develop a more accurate regression rate considering the oxidizer mass flow and the fuel grain geometry configuration with numerical and experimental investigations in polyethylene (PE)/90% hydrogen peroxide (HP) hybrid rocket. Firstly, a 2-D axisymmetric CFD model with turbulence, chemistry reaction, solid-gas coupling is built to investigate the combustion chamber internal flow structure. Then a more accurate regression formula is proposed and the combustion efficiency changing with the length-diameter ratio is studied. A series experiments are conducted in various oxidizer mass flow to analyze combustion performance including the regression rate and combustion efficiency. The regression rates are measured by the fuel mass reducing and diameter changing. A new regression rate formula considering the fuel grain configuration is proposed in this paper. The combustion efficiency increases with the length-diameter ratio changing. To improve the performance of a hybrid rocket motor, the port length-diameter ratio is suggested 10-12 in the paper.

Determination of total and polycyclic aromatic hydrocarbons in aviation jet fuel.

PubMed

Bernabei, M; Reda, R; Galiero, R; Bocchinfuso, G

2003-01-24

The aviation jet fuel widely used in turbine engine aircraft is manufactured from straight-run kerosene. The combustion quality of jet fuel is largely related to the hydrocarbon composition of the fuel itself; paraffins have better burning properties than aromatic compounds, especially naphthalenes and light polycyclic aromatic hydrocarbons (PAHs), which are characterised as soot and smoke producers. For this reason the burning quality of fuel is generally measured as smoke fermation. This evaluation is carried out with UV spectrophotometric determination of total naphthalene hydrocarbons and a chromatographic analysis to determine the total aromatic compounds. These methods can be considered insufficient to evaluate the human health impact of these compounds due to their inability to measure trace (ppm) amounts of each aromatic hyrcarbon and each PAH in accordance with limitations imposed because of their toxicological properties. In this paper two analytical methods are presented. Both are based on a gas chromatographic technique with a mass detector operating in be selected ion monitoring mode. The first method was able to determine more than 60 aromatic hydrocarbons in a fuel sample in a 35-min chromatographic run, while the second was able to carry out the analysis of more than 30 PAHs in a 40-min chromatographic run. The linearity and sensitivity of the methods in measuring these analytes at trace levels are described.

Chemical kinetic reaction mechanism for the combustion of propane

NASA Technical Reports Server (NTRS)

Jachimowski, C. J.

1984-01-01

A detailed chemical kinetic reaction mechanism for the combustion of propane is presented and discussed. The mechanism consists of 27 chemical species and 83 elementary chemical reactions. Ignition and combustion data as determined in shock tube studies were used to evaluate the mechanism. Numerical simulation of the shock tube experiments showed that the kinetic behavior predicted by the mechanism for stoichiometric mixtures is in good agrement with the experimental results over the entire temperature range examined (1150-2600K). Sensitivity and theoretical studies carried out using the mechanism revealed that hydrocarbon reactions which are involved in the formation of the HO2 radical and the H2O2 molecule are very important in the mechanism and that the observed nonlinear behavior of ignition delay time with decreasing temperature can be interpreted in terms of the increased importance of the HO2 and H2O2 reactions at the lower temperatures.

Polycyclic aromatic hydrocarbon (PAH) emissions from a coal-fired pilot FBC system.

PubMed

Liu, K; Han, W; Pan, W P; Riley, J T

2001-06-29

Due to the extensive amount of data suggesting the hazards of these compounds, 16 polycyclic aromatic hydrocarbons (PAHs) are on the Environmental Protection Agency (EPA) Priority Pollutant List. Emissions of these PAHs in the flue gas from the combustion of four coals were measured during four 1000h combustion runs using the 0.1MW heat-input (MWth) bench-scale fluidized bed combustor (FBC). An on-line sampling system was designed for the 16 PAHs, which consisted of a glass wool filter, condenser, glass fiber filter, Teflon filter, and a Tenax trap. The filters and Tenax were extracted by methylene chloride and hexane, respectively, followed by GC/MS analysis using the selective ion monitoring (SIM) mode. In this project, the effects of operating parameters, limestone addition, chlorine content in the coal, and Ca/S molar ratio on the emissions of PAHs were studied. The results indicated that the emissions of PAHs in an FBC system are primarily dependent on the combustion temperature and excess air ratio. The injection of secondary air with high velocity in the freeboard effectively reduces PAH emissions. The addition of extra limestone can promote the formation of PAHs in the FBC system. Chlorine in the coal can possibly lead to large benzene ring PAH formation during combustion. The total PAH emission increases with an increase in the sulfur content of coal. Incomplete combustion results in PAHs with four or more benzene rings. High efficiency combustion results in PAHs with two or three benzene rings.

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

PubMed Central

2015-01-01

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

Effects of biomass burning on summertime nonmethane hydrocarbon concentrations in the Canadian wetlands

NASA Technical Reports Server (NTRS)

Blake, D. R.; Smith, T. W., Jr.; Chen, T.-Y.; Whipple, W. J.; Rowland, F. S.

1994-01-01

Approximately 900 whole air samples were collected and assayed for selected C2-C10 hydrocarbons and seven halocarbons during the 5-week Arctic Boundary Layer Expedition (ABLE) 3B conducted in eastern Canadian wetland areas. In more than half of the 46 vertical profiles flown, enhanced nonmethane hydrocarbon (NMHC) concentrations attributable to plumes from Canadian forest fires were observed. Urban plumes, also enhanced in many NMHCs, were separately identified by their high correlation with elevated levels of perchloroethene. Emission factors relative to ethane were determined for 21 hydrocarbons released from Canadian biomass burning. Using these data for ethane, ethyne, propane, n-butane, and carbon monoxide enhancements from the literature, global emissions of these four NMHCs were estimated. Because of its very short atmospheric lifetime and its below detection limit background mixing ratio, 1,3-butadiene is an excellent indicator of recent combustion. No statistically significant emissions of nitrous oxide, isoprene, or CFC 12 were observed in the biomass-burning plumes encountered during ABLE 3B. The presence of the short-lived biogenically emitted isoprene at altitudes as high as 3000 m implies that mixing within the planetary boundary layer (PBL) was rapid. Although background levels of the longer-lived NMHCs in this Canadian region increase during the fire season, isoprene still dominated local hydroxyl radical photochemistry within the PBL except in the immediate vicinity of active fires. The average biomass-burning emission ratios for hydrocarbons from an active fire sampled within minutes of combustion were, relative to ethane, ethene, 2.45; ethyne 0.57; propane, 0.25; propene, 0.73; propyne, 0.06; n-butane, 0.09; i-butane, 0.01; 1-butene, 0.14; cis-2-butene, 0.02; trans-2-butene, 0.03; i-butylene, 0.07; 1,3-butadiene, 0.12; n-pentane, 0.05; i-pentane, 0.03; 1-pentene, 0.06; n-hexane, 0.05; 1-hexene, 0.07; benzene, 0.37; toluene, 0.16.

Design and evaluation of high performance rocket engine injectors for use with hydrocarbon fuels

NASA Technical Reports Server (NTRS)

Pavli, A. J.

1979-01-01

The feasibility of using a heavy hydrocarbon fuel as a rocket propellant is examined. A method of predicting performance of a heavy hydrocarbon in terms of vaporization effectiveness is described and compared to other fuels and to experimental test results. Experiments were done at a chamber pressure of 4137 KN/sq M (600 psia) with RP-1, JP-10, and liquefied natural gas as fuels, and liquid oxygen as the oxidizer. Combustion length effects were explored over a range of 21.6 cm (8 1/2 in) to 55.9 cm (22 in). Four injector types were tested, each over a range of mixture ratios. Further configuration modifications were obtained by reaming each injector several times to provide test data over a range of injector pressure drop.

A Preliminary Study on the Toxic Combustion Products Testing of Polymers Used in High-Pressure Oxygen Systems

NASA Technical Reports Server (NTRS)

Hshieh, Fu-Yu; Beeson, Harold D.

2004-01-01

One likely cause of polymer ignition in a high-pressure oxygen system is adiabatic-compression heating of polymers caused by pneumatic impact. Oxidative _ pyrolysis or combustion of polymers in a high-pressure oxygen system could generate toxic gases. This paper reports the preliminary results of toxic combustion product testing of selected polymers in a pneumatic-impact test system. Five polymers commonly used in high-pressure oxygen systems, Nylon 6/6, polychlorotrifluoroethylene (CTFE), polytetrafluoroethylene (PTFE), fluoroelastomer (Viton(TradeMark) A), and nitrile rubber (Buna N), were tested in a pneumatic-impact test system at 2500- or 3500-psia oxygen pressure. The polymers were ignited and burned, then combustion products were collected in a stainless-steel sample bottle and analyzed by GC/MS/IRD, GC/FID, and GC/Methanizer/FID. The results of adiabatic-compression tests show that combustion of hydrocarbon polymers, nitrogen-containing polymers, and halogenated polymers in high-pressure oxygen systems are relatively complete. Toxicity of the combustion product gas is presumably much lower than the combustion product gas generated from ambient-pressure oxygen (or air) environments. The NASA-Lewis equilibrium code was used to determine the composition of combustion product gas generated from a simulated, adiabatic-compression test of nine polymers. The results are presented and discussed.

Atmospheric chemistry in the Arctic and subarctic - influence of natural fires, industrial emissions, and stratospheric inputs

DOE Office of Scientific and Technical Information (OSTI.GOV)

Wofsy, S.C.; Sachse, G.W.; Gregory, G.L.

1992-10-01

Layers with enhanced concentrations of trace gases intercepted by the NASA Electra aircraft over Alaska during the Arctic Boundary Layer Expedition (ABLE 3A) in July-August 1988 are discussed. Haze layers apparently associated with boreal fires were enriched in hydrocarbons and NO(y), with emission factors corresponding closely to laboratory data for smoldering combustion. It is argued that atmospheric composition was strongly modified by wildfires during several periods of the ABLE 3A mission. The associated enhancement of NO(y) was smaller than observed for most other combustion processes but was nonetheless significant in the context of very low background concentrations. Ozone production inmore » fire plumes was negligible. Ambient O3 was supplied by the stratosphere, with little direct input from midlatitude source during summer. It is argued that NO(y) was supplied about equally by the stratosphere and by wildfires. Hydrocarbons and CO appear to derive from biomass fires and from human activities. 47 refs.« less

Atmospheric chemistry in the Arctic and subarctic - Influence of natural fires, industrial emissions, and stratospheric inputs

NASA Technical Reports Server (NTRS)

Wofsy, S. C.; Sachse, G. W.; Gregory, G. L.; Blake, D. R.; Bradshaw, J. D.; Sandholm, S. T.; Singh, H. B.; Barrick, J. A.; Harriss, R. C.; Talbot, R. W.

1992-01-01

Layers with enhanced concentrations of trace gases intercepted by the NASA Electra aircraft over Alaska during the Arctic Boundary Layer Expedition (ABLE 3A) in July-August 1988 are discussed. Haze layers apparently associated with boreal fires were enriched in hydrocarbons and NO(y), with emission factors corresponding closely to laboratory data for smoldering combustion. It is argued that atmospheric composition was strongly modified by wildfires during several periods of the ABLE 3A mission. The associated enhancement of NO(y) was smaller than observed for most other combustion processes but was nonetheless significant in the context of very low background concentrations. Ozone production in fire plumes was negligible. Ambient O3 was supplied by the stratosphere, with little direct input from midlatitude source during summer. It is argued that NO(y) was supplied about equally by the stratosphere and by wildfires. Hydrocarbons and CO appear to derive from biomass fires and from human activities.

Advanced Combustion Numerics and Modeling - FY18 First Quarter Report

DOE Office of Scientific and Technical Information (OSTI.GOV)

Whitesides, R. A.; Killingsworth, N. J.; McNenly, M. J.

This project is focused on early stage research and development of numerical methods and models to improve advanced engine combustion concepts and systems. The current focus is on development of new mathematics and algorithms to reduce the time to solution for advanced combustion engine design using detailed fuel chemistry. The research is prioritized towards the most time-consuming workflow bottlenecks (computer and human) and accuracy gaps that slow ACS program members. Zero-RK, the fast and accurate chemical kinetics solver software developed in this project, is central to the research efforts and continues to be developed to address the current and emergingmore » needs of the engine designers, engine modelers and fuel mechanism developers.« less

Combustion of a polymer (PMMA) sphere in microgravity

NASA Technical Reports Server (NTRS)

Yang, Jiann C.; Hamins, Anthony

1995-01-01

Polymer combustion is a highly complicated process where chemical reactions may occur not only in the gas phase, but also in the condensed phase as well as at the solid-gas interphase. The chemistry depends strongly on the coupling between the condensed phase and gas phase phenomena. For some polymers, additional complications arise due to the formation of char layers. For others, the behavior of the condensed phase involves swelling, bubbling, melting, sputtering, and multi-stage combustion. Some of these features bear resemblance to the phenomena observed in coal particle combustion. In addition to its relevance to spacecraft fire safety, the combustion of polymeric materials is related to many applications including solid and hybrid rocket propulsion, and of recent interest, waste incineration . The burning rate is one of the most important parameters used to characterize the combustion of polymers. It has been used to rank the polymer flammability under the same experimental conditions and to evaluate various modes of inhibiting polymer flammability. The main objective of this work is to measure the burning rates of a polymeric material in low gravity. Because of inherent logistical difficulties involved in microgravity experiments, it is impossible to examine a wide spectrum of polymeric materials. It is desirable to investigate a polymer whose combustion is less complicated, and yet will lead to a better understanding of the burning characteristics of other more complicated materials. Therefore, a typical non-charring polymer is selected for use in this experimental study. PMMA (polymethylmethacrylate) has been chosen because its thermo-physical properties are well characterized. Although the combustion of PMMA has been extensively studied in 1G experiments, only a limited amount of work has been conducted in low gravity. A spherical sample geometry is chosen in this study because it is the simplest configuration in terms of the microgravity hardware design

PRECIPITATION CHEMISTRY OF MAGNESIUM SULFITE HYDRATES IN MAGNESIUM OXIDE SCRUBBING

EPA Science Inventory

The report gives results of laboratory studies defining the precipitation chemistry of MgSO3 hydrates. The results apply to the design of Mg-based scrubbing processes for SO2 removal from combustion flue gas. In Mg-based scrubbing processes, MgSO3 precipitates as either trihydrat...

Hydrocarbon and Carbon Dioxide Fluxes from Natural Gas Well Pad Soils and Surrounding Soils in Eastern Utah.

PubMed

Lyman, Seth N; Watkins, Cody; Jones, Colleen P; Mansfield, Marc L; McKinley, Michael; Kenney, Donna; Evans, Jordan

2017-10-17

We measured fluxes of methane, nonmethane hydrocarbons, and carbon dioxide from natural gas well pad soils and from nearby undisturbed soils in eastern Utah. Methane fluxes varied from less than zero to more than 38 g m -2 h -1 . Fluxes from well pad soils were almost always greater than from undisturbed soils. Fluxes were greater from locations with higher concentrations of total combustible gas in soil and were inversely correlated with distance from well heads. Several lines of evidence show that the majority of emission fluxes (about 70%) were primarily due to subsurface sources of raw gas that migrated to the atmosphere, with the remainder likely caused primarily by re-emission of spilled liquid hydrocarbons. Total hydrocarbon fluxes during summer were only 39 (16, 97)% as high as during winter, likely because soil bacteria consumed the majority of hydrocarbons during summer months. We estimate that natural gas well pad soils account for 4.6 × 10 -4 (1.6 × 10 -4 , 1.6 × 10 -3 )% of total emissions of hydrocarbons from the oil and gas industry in Utah's Uinta Basin. Our undisturbed soil flux measurements were not adequate to quantify rates of natural hydrocarbon seepage in the Uinta Basin.

Numerical simulation and validation of SI-CAI hybrid combustion in a CAI/HCCI gasoline engine

NASA Astrophysics Data System (ADS)

Wang, Xinyan; Xie, Hui; Xie, Liyan; Zhang, Lianfang; Li, Le; Chen, Tao; Zhao, Hua

2013-02-01

SI-CAI hybrid combustion, also known as spark-assisted compression ignition (SACI), is a promising concept to extend the operating range of CAI (Controlled Auto-Ignition) and achieve the smooth transition between spark ignition (SI) and CAI in the gasoline engine. In this study, a SI-CAI hybrid combustion model (HCM) has been constructed on the basis of the 3-Zones Extended Coherent Flame Model (ECFM3Z). An ignition model is included to initiate the ECFM3Z calculation and induce the flame propagation. In order to precisely depict the subsequent auto-ignition process of the unburned fuel and air mixture independently after the initiation of flame propagation, the tabulated chemistry concept is adopted to describe the auto-ignition chemistry. The methodology for extracting tabulated parameters from the chemical kinetics calculations is developed so that both cool flame reactions and main auto-ignition combustion can be well captured under a wider range of thermodynamic conditions. The SI-CAI hybrid combustion model (HCM) is then applied in the three-dimensional computational fluid dynamics (3-D CFD) engine simulation. The simulation results are compared with the experimental data obtained from a single cylinder VVA engine. The detailed analysis of the simulations demonstrates that the SI-CAI hybrid combustion process is characterised with the early flame propagation and subsequent multi-site auto-ignition around the main flame front, which is consistent with the optical results reported by other researchers. Besides, the systematic study of the in-cylinder condition reveals the influence mechanism of the early flame propagation on the subsequent auto-ignition.

On the formulation and assessment of flamelet-generated manifolds applied to two-phase turbulent combustion

NASA Astrophysics Data System (ADS)

Bojko, Brian T.

Accounting for the effects of finite rate chemistry in reacting flows is intractable when considering the number of species and reactions to be solved for during a large scale flow simulation. This is especially complicated when solid/liquid fuels are also considered. While modeling the reacting boundary layer with the use of finite-rate chemistry may allow for a highly accurate description of the coupling between the flame and fuel surface, it is not tractable in large scale simulations when considering detailed chemical kinetics. It is the goal of this research to investigate a Flamelet-Generated Manifold (FGM) method in order to reduce the finite rate chemistry to a lookup table cataloged by progress variables and queried during runtime. In this study, simplified unsteady 1D flames with mass blowing are considered for a solid biomass fuel where the FGM method is employed as a model reduction strategy for potential application to multidimensional calculations. Two types of FGM are considered. The first are a set of steady-state flames differentiated by their scalar dissipation rate. Results show the use of steady flames produce unacceptable errors compared to the finite-rate chemistry solution, with temperature errors in excess of 45%. To avoid these errors, a new methodology for developing an unsteady FGM (UFGM) is presented that accounts for unsteady diffusion effects and greatly reduces errors in temperature with differences that are under 10%. The FGM modeling is then extended to individual droplet combustion with the development of a Droplet Flamelet-Generated Manifold (DFGM) to account for the effects of finite-rate chemistry of individual droplets. A spherically symmetric droplet model is developed for methanol and aluminum. The inclusion of finite-rate chemistry allows the capturing of the transition from diffusion to kinetically controlled combustion as the droplet diameter decreases. The droplet model is then used to create a DFGM by successively

Numerical Study of Stratified Charge Combustion in Wave Rotors

NASA Technical Reports Server (NTRS)

Nalim, M. Razi

1997-01-01

A wave rotor may be used as a pressure-gain combustor effecting non-steady flow, and intermittent, confined combustion to enhance gas turbine engine performance. It will be more compact and probably lighter than an equivalent pressure-exchange wave rotor, yet will have similar thermodynamic and mechanical characteristics. Because the allowable turbine blade temperature limits overall fuel/air ratio to sub-flammable values, premixed stratification techniques are necessary to burn hydrocarbon fuels in small engines with compressor discharge temperature well below autoignition conditions. One-dimensional, unsteady numerical simulations of stratified-charge combustion are performed using an eddy-diffusivity turbulence model and a simple reaction model incorporating a flammability limit temperature. For good combustion efficiency, a stratification strategy is developed which concentrates fuel at the leading and trailing edges of the inlet port. Rotor and exhaust temperature profiles and performance predictions are presented at three representative operating conditions of the engine: full design load, 40% load, and idle. The results indicate that peak local gas temperatures will result in excessive temperatures within the rotor housing unless additional cooling methods are used. The rotor itself will have acceptable temperatures, but the pattern factor presented to the turbine may be of concern, depending on exhaust duct design and duct-rotor interaction.

The effects of engine operating conditions on CCD chemistry and morphology

DOE Office of Scientific and Technical Information (OSTI.GOV)

Yeh, S.W.; Moore, S.M.; Sabourin, E.T.

1996-10-01

The effects of engine driving cycle and engine coolant temperature on combustion chamber deposit (CCD) surface chemistry and morphology were assessed by the use of XPS and scanning electron micrographs. A 3.1L V6 test cell engine was used to generate a six test matrix that compared deposit surface chemistry and morphology under two distinctly different driving cycles, each cycle being evaluated at three separate engine coolant temperatures. Deposit material for each respective test was collected by removable combustion chamber sample probes that were subjected to XPS surface analysis and SEM evaluation. Discernible trends were observed in surface chemistry and depositmore » amounts with respect to changes in both driving cycle and coolant temperature. However, much more pronounced were deposit morphological changes recorded by SEM in different engine coolant temperature regimes for both of the utilized driving cycles. Deposit nodules formed in one temperature regime were seen to be typically much larger in size, highly irregular in shape, and appeared to be porous in structure. At a different operating temperature, the deposit nodules were observed to be extremely uniform and more tightly packed.« less

Ash chemistry and sintering

DOE Office of Scientific and Technical Information (OSTI.GOV)

Skrifvars, B.J.; Backman, R.; Hupa, M.

1996-10-01

The chemistry of a fuel ash is important to consider when ash behavior in combustion or gasification is studied. Four different types of thermal behavior based bed agglomeration and deposit foliation mechanisms have been proposed to be important, (1) partial melting, (2) viscous flow, (3) chemical reaction sintering, and (4) solid state sintering. In this paper we present data from a broader study in which we have quantified the four mechanisms more in detail. The ashes from 10 different types of fuels have been tested for their sintering tendency by a compression strength sintering test. The ashes were also subjectmore » to quantitative wet chemical analyses and combined differential thermal, thermogravimetric (DT/TG) analyses. These thermal behavior predictions were compared with multi-component multi-phase thermodynamic phase equilibrium calculations and further with full scale combustion experience. The results and their relevance to full scale conversion systems are discussed in the paper.« less

Ignition and combustion of bulk metals at normal, elevated and reduced gravity

NASA Technical Reports Server (NTRS)

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

1995-01-01

Knowledge of the oxidation, ignition, and combustion of bulk metals is important for fire safety in the production, management, and utilization of liquid and gaseous oxygen for ground based and space applications. This proposal outlines studies in continuation of research initiated earlier under NASA support to investigate the ignition and combustion characteristics of bulk metals under varying gravity conditions. Metal ignition and combustion have not been studied previously under these conditions and the results are important not only for improved fire safety but also to increase knowledge of basic ignition and combustion mechanisms. The studies completed to date have led to the development of a clean and reproducible ignition source and diagnostic techniques for combustion measurements and have provided normal, elevated, and reduced gravity combustion data on a variety of different pure metals. The research conducted under this grant will use the apparatus and techniques developed earlier to continue the elevated and low gravity experiments, and to develop the overall modeling of the ignition and combustion process. Metal specimens are to be ignited using a xenon short-arc lamp and measurements are to be made of the ignition energy, surface temperature history, burning rates, spectroscopy of surface and gas products, and surface morphology and chemistry. Elevated gravity will be provided by the University of Colorado Geotechnical Centrifuge and microgravity will be obtained in NASA's DC-9 Reduced Gravity aircraft.

Titan's Complex Chemistry: Insights from the Lab

NASA Astrophysics Data System (ADS)

Horst, Sarah

2018-06-01

The Cassini-Huygens mission revealed Titan to be a complex world with physical processes reminiscent of other terrestrial planets, but chemistry that is unlike anywhere else in the Solar System. Titan's complex atmospheric chemistry converts N2 and CH4 into numerous, abundant organic molecules ranging from relatively simple hydrocarbons to ions with mass to charge ratios up to 10,000 amu/q. The molecules eventually settle to the surface where they can participate in and be modified by geological processes such as aeolian and fluvial erosion or undergo subsequent chemistry in Titan's lakes and seas or impact craters and potential cryovolcanic flows. From the processes leading to massive ion formation in the atmosphere to the behavior of saltating organic sands on the surface, laboratory experiments are playing a pivotal role in understanding Titan and expanding our understanding of planetary processes into new, exciting phase space.

An Experimental Examination of Combustion of Isolated Liquid Fuel Droplets with Polymeric and Nanoparticle Additives

NASA Astrophysics Data System (ADS)

Ghamari, Mohsen

In spite of recent attention to renewable sources of energy, liquid hydrocarbon fuels are still the main source of energy for industrial and transportation systems. Manufactures and consumers are consistently looking for ways to optimize the efficiency of fuel combustion in terms of cost, emissions and consumer safety. In this regard, increasing burning rate of liquid fuels has been of special interest in both industrial and transportation systems. Recent studies have shown that adding combustible nano-particles could have promising effects on improving combustion performance of liquid fuels. Combustible nano-particles could enhance radiative and conductive heat transfer and also mixing within the droplet. Polymeric additive have also shown promising effect on improving fire safety by suppressing spreading behavior and splatter formation in case of crash scenario. Polymers are also known to have higher burning rate than regular hydrocarbon fuels. Therefore adding polymeric additive could have the potential to increase the burning rate. In this work, combustion dynamics of liquid fuel droplets with both polymeric and nanoparticle additives is studied in normal gravity. High speed photography is employed and the effect of additive concentration on droplet burning rate, burning time, extinction and soot morphology is investigated. Polymer added fuel was found to have a volatility controlled combustion with four distinct regimes. The first three zones are associated with combustion of base fuel while the polymer burns last and after a heating zone because of its higher boiling point. Polymer addition reduces the burning rate of the base fuel in the first zone by means of increasing viscosity and results in nucleate boiling and increased burning rates in the second and third stages. Overall, polymer addition resulted in a higher burning rate and shorter burning time in most of the scenarios. Colloidal suspensions of carbon-based nanomaterials in liquid fuels were also

Pollutant formation in the pyrolysis and combustion of materials combining biomass and e-waste.

PubMed

Soler, Aurora; Conesa, Juan A; Iñiguez, María E; Ortuño, Nuria

2018-05-01

Combustion and pyrolysis runs at 850°C were carried out in a laboratory scale horizontal reactor with different materials combining biomass and waste electrical and electronic equipment (WEEE). Analyses are presented of the carbon oxides, light hydrocarbons, polycyclic aromatic hydrocarbons (PAHs), polychlorinated benzenes (ClBzs), polychlorinated phenols (ClPhs), polybrominated phenols (BrPhs), polychlorinated dibenzo-p-dioxins and dibenzofurans (PCDD/Fs). Results showed that gas emissions were mainly composed of CO and CO 2 ; the high level of CO found in the pyrolytic runs was easily transformed into CO 2 by reaction with oxygen. The total amount of light hydrocarbons emitted was higher in the samples containing WEEE, methane being the most abundant light hydrocarbon in all the runs. However, the presence of WEEE reduced the emission of PAHs which decreased with the increase of the oxygen. The total amount of BrPhs increased in the decomposition of the samples containing WEEE, reaching its maximum in pyrolysis runs. Emission of PCDD/Fs was enhanced in pyrolytic conditions and easily decreased in the presence of oxygen. Copyright © 2017 Elsevier B.V. All rights reserved.

Combustion and Gasification Properties of Plastics Particles.

PubMed

Zevenhoven, Ron; Karlsson, Magnus; Hupa, Mikko; Frankenhaeuser, Martin

1997-08-01

The combustion and gasification behavior of the most common plastics is studied and compared with conventional fuels such as coal, peat, and wood. The aim is to give background data for finding the optimum conditions for co-combustion or co-gasification of a conventional fuel with a certain amount of plastic-derived fuel. Atmospheric or pressurized fluidized bed co-combustion of conventional fuels and plastics are considered to be promising future options. The plastics investigated were poly(ethylene) (PE), poly(propylene) (PP), poly(styrene) (PS), and poly(vinyl chloride) (PVC). Some of the samples had a print or color. The reference fuels were Polish bituminous coal, Finnish peat, and Finnish pine wood. PE, PP, and PS were found to burn like oil. The particles shrank to a droplet and burned completely during the pyrolysis stage, leaving no char. Printing and coloring left a small portion of ash. PVC was the only plastic that produced a carbonaceous residue, and its timescales for heating, devolatilization, and char burning were of the same order as those for peat and wood, and much shorter for the other plastics studied. An important result is that char from PVC contains less than 1% chlorine,99% hydrocarbon. The gasification rate of PVC char (at 1 bar and 25 bar) was of the same order as that of char from coal. Peat-char and wood-char were gasified an order of magnitude faster.

Design and Fabrication of Oxygen/RP-2 Multi-Element Oxidizer-Rich Staged Combustion Thrust Chamber Injectors

NASA Technical Reports Server (NTRS)

Garcia, C. P.; Medina, C. R.; Protz, C. S.; Kenny, R. J.; Kelly, G. W.; Casiano, M. J.; Hulka, J. R.; Richardson, B. R.

2016-01-01

As part of the Combustion Stability Tool Development project funded by the Air Force Space and Missile Systems Center, the NASA Marshall Space Flight Center was contracted to assemble and hot-fire test a multi-element integrated test article demonstrating combustion characteristics of an oxygen/hydrocarbon propellant oxidizer-rich staged-combustion engine thrust chamber. Such a test article simulates flow through the main injectors of oxygen/kerosene oxidizer-rich staged combustion engines such as the Russian RD-180 or NK-33 engines, or future U.S.-built engine systems such as the Aerojet-Rocketdyne AR-1 engine or the Hydrocarbon Boost program demonstration engine. On the current project, several configurations of new main injectors were considered for the thrust chamber assembly of the integrated test article. All the injector elements were of the gas-centered swirl coaxial type, similar to those used on the Russian oxidizer-rich staged-combustion rocket engines. In such elements, oxidizer-rich combustion products from the preburner/turbine exhaust flow through a straight tube, and fuel exiting from the combustion chamber and nozzle regenerative cooling circuits is injected near the exit of the oxidizer tube through tangentially oriented orifices that impart a swirl motion such that the fuel flows along the wall of the oxidizer tube in a thin film. In some elements there is an orifice at the inlet to the oxidizer tube, and in some elements there is a sleeve or "shield" inside the oxidizer tube where the fuel enters. In the current project, several variations of element geometries were created, including element size (i.e., number of elements or pattern density), the distance from the exit of the sleeve to the injector face, the width of the gap between the oxidizer tube inner wall and the outer wall of the sleeve, and excluding the sleeve entirely. This paper discusses the design rationale for each of these element variations, including hydraulic, structural

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

ERIC Educational Resources Information Center

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

2014-01-01

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

Parallel distributed, reciprocal Monte Carlo radiation in coupled, large eddy combustion simulations

NASA Astrophysics Data System (ADS)

Hunsaker, Isaac L.

Radiation is the dominant mode of heat transfer in high temperature combustion environments. Radiative heat transfer affects the gas and particle phases, including all the associated combustion chemistry. The radiative properties are in turn affected by the turbulent flow field. This bi-directional coupling of radiation turbulence interactions poses a major challenge in creating parallel-capable, high-fidelity combustion simulations. In this work, a new model was developed in which reciprocal monte carlo radiation was coupled with a turbulent, large-eddy simulation combustion model. A technique wherein domain patches are stitched together was implemented to allow for scalable parallelism. The combustion model runs in parallel on a decomposed domain. The radiation model runs in parallel on a recomposed domain. The recomposed domain is stored on each processor after information sharing of the decomposed domain is handled via the message passing interface. Verification and validation testing of the new radiation model were favorable. Strong scaling analyses were performed on the Ember cluster and the Titan cluster for the CPU-radiation model and GPU-radiation model, respectively. The model demonstrated strong scaling to over 1,700 and 16,000 processing cores on Ember and Titan, respectively.

Atmospheric Chemistry of Micrometeoritic Organic Compounds

NASA Technical Reports Server (NTRS)

Kress, M. E.; Belle, C. L.; Pevyhouse, A. R.; Iraci, L. T.

2011-01-01

Micrometeorites approx.100 m in diameter deliver most of the Earth s annual accumulation of extraterrestrial material. These small particles are so strongly heated upon atmospheric entry that most of their volatile content is vaporized. Here we present preliminary results from two sets of experiments to investigate the fate of the organic fraction of micrometeorites. In the first set of experiments, 300 m particles of a CM carbonaceous chondrite were subject to flash pyrolysis, simulating atmospheric entry. In addition to CO and CO2, many organic compounds were released, including functionalized benzenes, hydrocarbons, and small polycyclic aromatic hydrocarbons. In the second set of experiments, we subjected two of these compounds to conditions that simulate the heterogeneous chemistry of Earth s upper atmosphere. We find evidence that meteor-derived compounds can follow reaction pathways leading to the formation of more complex organic compounds.

Hydrocarbon reforming catalyst material and configuration of the same

DOEpatents

Singh, Prabhakar; Shockling, Larry A.; George, Raymond A.; Basel, Richard A.

1996-01-01

A hydrocarbon reforming catalyst material comprising a catalyst support impregnated with catalyst is provided for reforming hydrocarbon fuel gases in an electrochemical generator. Elongated electrochemical cells convert the fuel to electrical power in the presence of an oxidant, after which the spent fuel is recirculated and combined with a fresh hydrocarbon feed fuel forming the reformable gas mixture which is fed to a reforming chamber containing a reforming catalyst material, where the reforming catalyst material includes discrete passageways integrally formed along the length of the catalyst support in the direction of reformable gas flow. The spent fuel and/or combusted exhaust gases discharged from the generator chamber transfer heat to the catalyst support, which in turn transfers heat to the reformable gas and to the catalyst, preferably via a number of discrete passageways disposed adjacent one another in the reforming catalyst support. The passageways can be slots extending inwardly from an outer surface of the support body, which slots are partly defined by an exterior confining wall. According to a preferred embodiment, the catalyst support is non-rigid, porous, fibrous alumina, wherein the fibers are substantially unsintered and compressible, and the reforming catalyst support is impregnated, at least in the discrete passageways with Ni and MgO, and has a number of internal slot passageways for reformable gas, the slot passageways being partly closed by a containing outer wall.

Hydrocarbon reforming catalyst material and configuration of the same

DOEpatents

Singh, P.; Shockling, L.A.; George, R.A.; Basel, R.A.

1996-06-18

A hydrocarbon reforming catalyst material comprising a catalyst support impregnated with catalyst is provided for reforming hydrocarbon fuel gases in an electrochemical generator. Elongated electrochemical cells convert the fuel to electrical power in the presence of an oxidant, after which the spent fuel is recirculated and combined with a fresh hydrocarbon feed fuel forming the reformable gas mixture which is fed to a reforming chamber containing a reforming catalyst material, where the reforming catalyst material includes discrete passageways integrally formed along the length of the catalyst support in the direction of reformable gas flow. The spent fuel and/or combusted exhaust gases discharged from the generator chamber transfer heat to the catalyst support, which in turn transfers heat to the reformable gas and to the catalyst, preferably via a number of discrete passageways disposed adjacent one another in the reforming catalyst support. The passageways can be slots extending inwardly from an outer surface of the support body, which slots are partly defined by an exterior confining wall. According to a preferred embodiment, the catalyst support is non-rigid, porous, fibrous alumina, wherein the fibers are substantially unsintered and compressible, and the reforming catalyst support is impregnated, at least in the discrete passageways with Ni and MgO, and has a number of internal slot passageways for reformable gas, the slot passageways being partly closed by a containing outer wall. 5 figs.

Heavy hydrocarbon main injector technology program

NASA Technical Reports Server (NTRS)

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

1991-01-01

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

Weakly Bound Free Radicals in Combustion: "Prompt" Dissociation of Formyl Radicals and Its Effect on Laminar Flame Speeds

DOE Office of Scientific and Technical Information (OSTI.GOV)

Labbe, Nicole J.; Sivaramakrishnan, Raghu; Goldsmith, C. Franklin

2016-01-07

Weakly bound free radicals have low-dissociation thresholds such that at high temperatures, timescales for dissociation and collisional relaxation become comparable, leading to significant dissociation during the vibrational-rotational relaxation process. Here we characterize this “prompt” dissociation of formyl (HCO), an important combustion radical, using direct dynamics calculations for OH + CH2O and H + CH2O (key HCO-forming reactions). For all other HCO-forming reactions, presumption of a thermal incipient HCO distribution was used to derive prompt dissociation fractions. Inclusion of these theoretically derived HCO prompt dissociation fractions into combustion kinetics models provides an additional source for H-atoms that feeds chain branching reactions.more » Simulations using these updated combustion models are therefore shown to enhance flame propagation in 1,3,5-trioxane and acetylene. The present results suggest that HCO prompt dissociation should be included when simulating flames of hydrocarbons and oxygenated molecules and that prompt dissociations of other weakly bound radicals may also impact combustion simulations« less

Study on Characteristics of Co-firing Ammonia/Methane Fuels under Oxygen Enriched Combustion Conditions

NASA Astrophysics Data System (ADS)

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.

Evaluation of flamelet/progress variable model for laminar pulverized coal combustion

NASA Astrophysics Data System (ADS)

Wen, Xu; Wang, Haiou; Luo, Yujuan; Luo, Kun; Fan, Jianren

2017-08-01

In the present work, the flamelet/progress variable (FPV) approach based on two mixture fractions is formulated for pulverized coal combustion and then evaluated in laminar counterflow coal flames under different operating conditions through both a priori and a posteriori analyses. Two mixture fractions, Zvol and Zchar, are defined to characterize the mixing between the oxidizer and the volatile matter/char reaction products. A coordinate transformation is conducted to map the flamelet solutions from a unit triangle space (Zvol, Zchar) to a unit square space (Z, X) so that a more stable solution can be achieved. To consider the heat transfers between the coal particle phase and the gas phase, the total enthalpy is introduced as an additional manifold. As a result, the thermo-chemical quantities are parameterized as a function of the mixture fraction Z, the mixing parameter X, the normalized total enthalpy Hnorm, and the reaction progress variable YPV. The validity of the flamelet chemtable and the selected trajectory variables is first evaluated in a priori tests by comparing the tabulated quantities with the results obtained from numerical simulations with detailed chemistry. The comparisons show that the major species mass fractions can be predicted by the FPV approach in all combustion regions for all operating conditions, while the CO and H2 mass fractions are over-predicted in the premixed flame reaction zone. The a posteriori study shows that overall good agreement between the FPV results and those obtained from detailed chemistry simulations can be achieved, although the coal particle ignition is predicted to be slightly earlier. Overall, the validity of the FPV approach for laminar pulverized coal combustion is confirmed and its performance in turbulent pulverized coal combustion will be tested in future work.

Co-combustion of bituminous coal and biomass fuel blends: Thermochemical characterization, potential utilization and environmental advantage.

PubMed

Zhou, Chuncai; Liu, Guijian; Wang, Xudong; Qi, Cuicui

2016-10-01

The thermochemical characteristics and gaseous trace pollutant behaviors during co-combustion medium-to-low ash bituminous coal with typical biomass residues (corn stalk and sawdust) were investigated. Lowering of ignition index, burnout temperature and activation energy in the major combustion stage are observed in the coal/biomass blends. The blending proportion of 20% and 30% are regarded as the optimum blends for corn stalk and sawdust, respectively, in according the limitations of heating value, activation energy, flame stability and base/acid ratio. The reductions of gaseous As, Cd, Cu, Pb, Zn and polycyclic aromatic hydrocarbon (PAHs) were 4.5%, 7.8%, 6.3%, 9.8%, 9.4% and 17.4%, respectively, when co-combustion coal with 20% corn stalk. The elevated capture of trace elements were found in coal/corn stalk blend, while the coal/sawdust blend has the better PAHs control potential. The reduction mechanisms of gaseous trace pollutants were attributed to the fuel property, ash composition and relative residence time during combustion. Copyright © 2016 Elsevier Ltd. All rights reserved.

Polycyclic aromatic hydrocarbons residues in sandstorm depositions in Beijing, China

DOE Office of Scientific and Technical Information (OSTI.GOV)

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

2009-02-15

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

The Chemistry of Extragalactic Carbon Stars

NASA Technical Reports Server (NTRS)

Woods, Paul; Walsh, C.; Cordiner, M. A.; Kemper, F.

2013-01-01

Prompted by the ongoing interest in Spitzer Infrared Spectrometer spectra of carbon stars in the Large Magellanic Cloud, we have investigated the circumstellar chemistry of carbon stars in low-metallicity environments. Consistent with observations, our models show that acetylene is particularly abundant in the inner regions of low metallicity carbon-rich asymptotic giant branch stars - more abundant than carbon monoxide. As a consequence, larger hydrocarbons have higher abundances at the metallicities of the Magellanic Clouds than in stars with solar metallicity. We also find that the oxygen and nitrogen chemistry is suppressed at lower metallicity, as expected. Finally, we calculate molecular line emission from carbon stars in the Large and Small Magellanic Cloud and find that several molecules should be readily detectable with the Atacama Large Millimeter Array at Full Science operations.

Wintertime aerosol chemistry and haze evolution in an extremely polluted city of North China Plain: significant contribution from coal and biomass combustions

NASA Astrophysics Data System (ADS)

Li, Haiyan; Zhang, Qi; Zhang, Qiang; Chen, Chunrong; Wang, Litao; Wei, Zhe; Zhou, Shan; Parworth, Caroline; Zheng, Bo; Canonaco, Francesco; Prévôt, André; Chen, Ping; Zhang, Hongliang; He, Kebin

2017-04-01

The North China Plain (NCP) frequently encountered heavy haze pollution in recent years, particularly during wintertime. In 2015-2016 winter, the NCP region suffered several extremely severe haze episodes with air pollution red alerts issued in many cities. In this work, we investigated the sources and aerosol evolution processes of the severe pollution episodes in Handan, a typical industrialized city in the NCP region, using real-time measurements from an intensive field campaign during the winter of 2015-2016. The average (± 1σ) concentration of submicron aerosol (PM1) during December 3, 2015 - February 5, 2016 was 187.6 (± 137.5) μg m-3, with the hourly maximum reaching 700.8 μg m-3. Organic was the most abundant component, on average accounting for 45% of total PM1 mass, followed by sulfate (15%), nitrate (14%), ammonium (12%), chloride (9%) and BC (5%). Positive matrix factorization (PMF) with multi-linear engine (ME-2) identified four major organic aerosol (OA) sources, including traffic emissions represented by a hydrocarbon-like OA (HOA, 7% of total OA), industrial and residential burning of coal represented by a coal combustion OA (CCOA, 29% of total OA), open and domestic combustion of wood and crop residuals represented by a biomass burning OA (BBOA, 25% of total OA), and formation of secondary OA (SOA) in the atmosphere represented by an oxygenated OA (OOA, 39% of total OA). Emissions of primary OA (POA), which together accounted for 61% of total OA and 27% of PM1, are a major cause of air pollution in this region during the winter. Our analysis further uncovered that, primary emissions from coal combustion and biomass burning together with secondary formation of sulfate (mainly from SO2 emitted by coal combustion) are important driving factors for haze evolution. However, the bulk composition of PM1 showed comparatively small variations between less polluted periods (daily PM2.5 ≤ 75 μg m-3) and severely polluted periods (daily PM2.5 > 75 �

Design and evaluation of high performance rocket engine injectors for use with hydrocarbon fuels

NASA Technical Reports Server (NTRS)

Pavli, A. J.

1979-01-01

An experimental program to determine the feasibility of using a heavy hydrocarbon fuel as a rocket propellant is reported herein. A method of predicting performance of a heavy hydrocarbon in terms of vaporization effectiveness is described and compared to other fuels and to experimental test results. The work was done at a chamber pressure of 4137 KN/sq M (600 psia) with RP-1, JP-10, and liquefied natural gas as fuels, and liquid oxygen as the oxidizer. Combustion length effects were explored over a range of 21.6 cm (8 1/2 in.) to 55.9 cm (22 in.). Four injector types were tested, each over a range of mixture ratios. Further configuration modifications were obtained by 'reaming' each injector several times to provide test data over a range of injector pressure drop.

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

DOE PAGES

Skeen, Scott A.; Yang, Bin; Jasper, Ahren W.; ...

2011-11-14

The chemical compositions of three low-pressure premixed flames of methylcyclohexane (MCH) are investigated with the emphasis on the chemistry of MCH decomposition and the formation of aromatic species, including benzene and toluene. The flames are stabilized on a flat-flame (McKenna type) burner at equivalence ratios of φ = 1.0, 1.75, and 1.9 and at low pressures between 15 Torr (= 20 mbar) and 30 Torr (= 40 mbar). The complex chemistry of MCH consumption is illustrated in the experimental identification of several C 7H 12, C 7H 10, C 6H 12, and C 6H 10 isomers sampled from the flamesmore » as a function of distance from the burner. Three initiation steps for MCH consumption are discussed: ring-opening to heptenes and methyl-hexenes (isomerization), methyl radical loss yielding the cyclohexyl radical (dissociation), and H abstraction from MCH. Mole fraction profiles as a function of distance from the burner for the C 7 species supplemented by theoretical calculations are presented, indicating that flame structures resulting in steeper temperature gradients and/or greater peak temperatures can lead to a relative increase in MCH consumption through the dissociation and isomerization channels. Trends observed among the stable C 6 species as well as 1,3-pentadiene and isoprene also support this conclusion. Relatively large amounts of toluene and benzene are observed in the experiments, illustrating the importance of sequential H-abstraction steps from MCH to toluene and from cyclohexyl to benzene. Furthermore, modeled results using the detailed chemical model of Pitz et al. (Proc. Combust. Inst.2007, 31, 267–275) are also provided to illustrate the use of these data as a benchmark for the improvement or future development of a MCH mechanism.« less

Heavy Lift Launch Capability with a New Hydrocarbon Engine

NASA Technical Reports Server (NTRS)

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

2011-01-01

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

Factors affecting elimination of polycyclic aromatic hydrocarbons from traditional smoked common carp meat

NASA Astrophysics Data System (ADS)

Babić, J.; Vidaković, S.; Škaljac, S.; Kartalović, B.; Ljubojević, D.; Ćirković, M.; Teodorović, V.

2017-09-01

Smoking techniques have been progressively improved and different procedures have been developed in different regions for treating fish. In these times, the technology is mainly used for enrichment of fish with specific taste and odour, to extend the shelf-life of these perishable products and appearance required widely on the market. A lot of chemical contaminants such as polycyclic aromatic hydrocarbons (PAHs) are formed during the combustion of fuel in the smoking process. PAHs are a group of compounds that have been the subject of great concern in the recent years due to their toxic, mutagenic and/or carcinogenic potentials to humans. These fact can have a significant impact on the acceptance of these products by consumers. In this review article, the objective is to describe factors affecting elimination of polycyclic aromatic hydrocarbons from traditional smoked common carp meat.

Receptor modeling for source apportionment of polycyclic aromatic hydrocarbons in urban atmosphere.

PubMed

Singh, Kunwar P; Malik, Amrita; Kumar, Ranjan; Saxena, Puneet; Sinha, Sarita

2008-01-01

This study reports source apportionment of polycyclic aromatic hydrocarbons (PAHs) in particulate depositions on vegetation foliages near highway in the urban environment of Lucknow city (India) using the principal components analysis/absolute principal components scores (PCA/APCS) receptor modeling approach. The multivariate method enables identification of major PAHs sources along with their quantitative contributions with respect to individual PAH. The PCA identified three major sources of PAHs viz. combustion, vehicular emissions, and diesel based activities. The PCA/APCS receptor modeling approach revealed that the combustion sources (natural gas, wood, coal/coke, biomass) contributed 19-97% of various PAHs, vehicular emissions 0-70%, diesel based sources 0-81% and other miscellaneous sources 0-20% of different PAHs. The contributions of major pyrolytic and petrogenic sources to the total PAHs were 56 and 42%, respectively. Further, the combustion related sources contribute major fraction of the carcinogenic PAHs in the study area. High correlation coefficient (R2 > 0.75 for most PAHs) between the measured and predicted concentrations of PAHs suggests for the applicability of the PCA/APCS receptor modeling approach for estimation of source contribution to the PAHs in particulates.

External combustion engine having a combustion expansion chamber

NASA Astrophysics Data System (ADS)

Duva, Anthony W.

1993-03-01

This patent application discloses an external combustion engine having a combustion expansion chamber. The engine includes a combustion chamber for generating a high-pressure, energized gas from a monopropellant fuel, and a cylinder for receiving the energized gas through a rotary valve to perform work on a cylinder disposed therein. A baffle plate is positioned between the combustion area and expansion area for reducing the pressure of the gas. The combustion area and expansion area are separated by a baffle plate having a flow area which is sufficiently large to eliminate the transmission of pressure pulsations from the combustion area to the expansion area while being small enough to provide for substantially complete combustion in the combustion area. The engine is particularly well suited for use in a torpedo.

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

NASA Technical Reports Server (NTRS)

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

2006-01-01

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

Organic chemistry on Titan

NASA Technical Reports Server (NTRS)

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

1978-01-01

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

Fractal and spectroscopic analysis of soot from internal combustion engines

NASA Astrophysics Data System (ADS)

Swapna, M. S.; Saritha Devi, H. V.; Raj, Vimal; Sankararaman, S.

2018-03-01

Today diesel engines are used worldwide for various applications and very importantly in transportation. Hydrocarbons are the most widespread precursors among carbon sources employed in the production of carbon nanotubes (CNTs). The aging of internal combustion engine is an important parameter in deciding the carbon emission and particulate matter due to incomplete combustion of fuel. In the present work, an attempt has been made for the effective utilization of the aged engines for potential applicationapplications in fuel cells and nanoelectronics. To analyze the impact of aging, the particulate matter rich in carbon content areis collected from diesel engines of different ages. The soot with CNTs is purified by the liquid phase oxidation method and analyzed by Field Emission Scanning Electron Microscopy, High-Resolution Transmission Electron Microscopy, Energy Dispersive Spectroscopy, UV-Visible spectroscopy, Raman spectroscopy and Thermogravimetric analysis. The SEM image contains self-similar patterns probing fractal analysis. The fractal dimensions of the samples are determined by the box counting method. We could find a greater amount of single-walled carbon nanotubes (SWCNTs) in the particulate matter emitted by aged diesel engines and thereby giving information about the combustion efficiency of the engine. The SWCNT rich sample finds a wide range of applicationapplications in nanoelectronics and thereby pointing a potential use of these aged engines.

Composition and chemistry of Titan's thermosphere and ionosphere.

PubMed

Vuitton, V; Yelle, R V; Lavvas, P

2009-02-28

Titan has long been known to harbour the richest atmospheric chemistry in the Solar System. Until recently, it had been believed that complex hydrocarbons and nitriles were produced through neutral chemistry that would eventually lead to the formation of micrometre sized organic aerosols. However, recent measurements by the Cassini spacecraft are drastically changing our understanding of Titan's chemistry. The Ion and Neutral Mass Spectrometer (INMS) and the Cassini Plasma Spectrometer (CAPS) revealed an extraordinary complex ionospheric composition. INMS detected roughly 50 positive ions with m/z<100 and a density higher than 0.1cm-3. CAPS provided evidence for heavy (up to 350amu) positively and negatively charged (up to 4000amu) ions. These observations all indicate that Titan's ionospheric chemistry is incredibly complex and that molecular growth starts in the upper atmosphere rather than at lower altitude. Here, we review the recent progress made on ionospheric chemistry. The presence of heavy neutrals in the upper atmosphere has been inferred as a direct consequence of the presence of complex positive ions. Benzene (C6H6) is created by ion chemistry at high altitudes and its main photolysis product, the phenyl radical (C6H5), is at the origin of the formation of aromatic species at lower altitude.

Fuels Performance: Navigating the Intersection of Fuels and Combustion (Brochure)

DOE Office of Scientific and Technical Information (OSTI.GOV)

Not Available

2014-12-01

Researchers at the National Renewable Energy Laboratory (NREL), the only national laboratory dedicated 100% to renewable energy and energy efficiency, recognize that engine and infrastructure compatibility can make or break the impact of even the most promising fuel. NREL and its industry partners navigate the intersection of fuel chemistry, ignition kinetics, combustion, and emissions, with innovative approaches to engines and fuels that meet drivers' expectations, while minimizing petroleum use and GHGs.

Sources and distribution of aromatic hydrocarbons in a tropical marine protected area estuary under influence of sugarcane cultivation.

PubMed

Arruda-Santos, Roxanny Helen de; Schettini, Carlos Augusto França; Yogui, Gilvan Takeshi; Maciel, Daniele Claudino; Zanardi-Lamardo, Eliete

2018-05-15

Goiana estuary is a well preserved marine protected area (MPA) located on the northeastern coast of Brazil. Despite its current state, human activities in the watershed represent a potential threat to long term local preservation. Dissolved/dispersed aromatic hydrocarbons and polycyclic aromatic hydrocarbons (PAHs) were investigated in water and sediments across the estuarine salt gradient. Concentration of aromatic hydrocarbons was low in all samples. According to results, aromatic hydrocarbons are associated to suspended particulate matter (SPM) carried to the estuary by river waters. An estuarine turbidity maximum (ETM) was identified in the upper estuary, indicating that both sediments and contaminants are trapped prior to an occasional export to the adjacent sea. PAHs distribution in sediments were associated with organic matter and mud content. Diagnostic ratios indicated pyrolytic processes as the main local source of PAHs that are probably associated with sugarcane burning and combustion engines. Low PAH concentrations probably do not cause adverse biological effects to the local biota although their presence indicate anthropogenic contamination and pressure on the Goiana estuary MPA. Copyright © 2017 Elsevier B.V. All rights reserved.

Physicochemical characterisation of combustion particles from vehicle exhaust and residential wood smoke

PubMed Central

Kocbach, Anette; Li, Yanjun; Yttri, Karl E; Cassee, Flemming R; Schwarze, Per E; Namork, Ellen

2006-01-01

Background Exposure to ambient particulate matter has been associated with a number of adverse health effects. Particle characteristics such as size, surface area and chemistry seem to influence the negative effects of particles. In this study, combustion particles from vehicle exhaust and wood smoke, currently used in biological experiments, were analysed with respect to microstructure and chemistry. Methods Vehicle exhaust particles were collected in a road tunnel during two seasons, with and without use of studded tires, whereas wood smoke was collected from a stove with single-stage combustion. Additionally, a reference diesel sample (SRM 2975) was analysed. The samples were characterised using transmission electron microscopy techniques (TEM/HRTEM, EELS and SAED). Furthermore, the elemental and organic carbon fractions were quantified using thermal optical transmission analysis and the content of selected PAHs was determined by gas chromatography-mass spectrometry. Results Carbon aggregates, consisting of tens to thousands of spherical primary particles, were the only combustion particles identified in all samples using TEM. The tunnel samples also contained mineral particles originating from road abrasion. The geometric diameters of primary carbon particles from vehicle exhaust were found to be significantly smaller (24 ± 6 nm) than for wood smoke (31 ± 7 nm). Furthermore, HRTEM showed that primary particles from both sources exhibited a turbostratic microstructure, consisting of concentric carbon layers surrounding several nuclei in vehicle exhaust or a single nucleus in wood smoke. However, no differences were detected in the graphitic character of primary particles from the two sources using SAED and EELS. The total PAH content was higher for combustion particles from wood smoke as compared to vehicle exhaust, whereas no source difference was found for the ratio of organic to total carbon. Conclusion Combustion particles from vehicle exhaust and

Comprehensive modeling of a liquid rocket combustion chamber

NASA Technical Reports Server (NTRS)

Liang, P.-Y.; Fisher, S.; Chang, Y. M.

1985-01-01

An analytical model for the simulation of detailed three-phase combustion flows inside a liquid rocket combustion chamber is presented. The three phases involved are: a multispecies gaseous phase, an incompressible liquid phase, and a particulate droplet phase. The gas and liquid phases are continuum described in an Eulerian fashion. A two-phase solution capability for these continuum media is obtained through a marriage of the Implicit Continuous Eulerian (ICE) technique and the fractional Volume of Fluid (VOF) free surface description method. On the other hand, the particulate phase is given a discrete treatment and described in a Lagrangian fashion. All three phases are hence treated rigorously. Semi-empirical physical models are used to describe all interphase coupling terms as well as the chemistry among gaseous components. Sample calculations using the model are given. The results show promising application to truly comprehensive modeling of complex liquid-fueled engine systems.

Flame behavior and thermal structure of combusting plane jets with and without self-excited transverse oscillations

NASA Astrophysics Data System (ADS)

Huang, Rong Fung; Kivindu, Reuben Mwanza; Hsu, Ching Min

2017-12-01

The flame behavior and thermal structure of combusting plane jets with and without self-excited transverse oscillations were investigated experimentally. The transversely-oscillating plane jet was generated by a specially designed fluidic oscillator. Isothermal flow patterns were observed using the laser-assisted smoke flow visualization method. Meanwhile, the flame behaviour was studied using instantaneous and long-exposure photography techniques. Temperature distributions and combustion-product concentrations were measured using a fine-wire type R thermocouple and a gas analyzer, respectively. The results showed that the combusting transversely-oscillating plane jets had distributed turbulent blue flames with plaited-like edges, while the corresponding combusting non-oscillating plane jet had laminar blue-edged flames in the near field. At a high Reynolds number, the transversely-oscillating jet flames were significantly shorter and wider with shorter reaction-dominated zones than those of the non-oscillating plane jet flames. In addition, the transversely-oscillating combusting jets presented larger carbon dioxide and smaller unburned hydrocarbon concentrations, as well as portrayed characteristics of partially premixed flames. The non-oscillating combusting jets presented characteristics of diffusion flames, and the transversely-oscillating jet flame had a combustion performance superior to its non-oscillating plane jet flame counterpart. The high combustion performance of the transversely-oscillating jets was due to the enhanced entrainment, mixing, and lateral spreading of the jet flow, which were induced by the vortical flow structure generated by lateral periodic jet oscillations, as well as the high turbulence created by the breakup of the vortices.

Chemical composition and speciation of particulate organic matter from modern residential small-scale wood combustion appliances.

PubMed

Czech, Hendryk; Miersch, Toni; Orasche, Jürgen; Abbaszade, Gülcin; Sippula, Olli; Tissari, Jarkko; Michalke, Bernhard; Schnelle-Kreis, Jürgen; Streibel, Thorsten; Jokiniemi, Jorma; Zimmermann, Ralf

2018-01-15

Combustion technologies of small-scale wood combustion appliances are continuously developed decrease emissions of various pollutants and increase energy conversion. One strategy to reduce emissions is the implementation of air staging technology in secondary air supply, which became an established technique for modern wood combustion appliances. On that account, emissions from a modern masonry heater fuelled with three types of common logwood (beech, birch and spruce) and a modern pellet boiler fuelled with commercial softwood pellets were investigated, which refer to representative combustion appliances in northern Europe In particular, emphasis was put on the organic constituents of PM2.5, including polycyclic aromatic hydrocarbons (PAHs), oxygenated PAHs (OPAHs) and phenolic species, by targeted and non-targeted mass spectrometric analysis techniques. Compared to conventional wood stoves and pellet boilers, organic emissions from the modern appliances were reduced by at least one order of magnitude, but to a different extent for single species. Hence, characteristic ratios of emission constituents and emission profiles for wood combustion identification and speciation do not hold for this type of advanced combustion technology. Additionally, an overall substantial reduction of typical wood combustion markers, such as phenolic species and anhydrous sugars, were observed. Finally, it was found that slow ignition of log woods changes the distribution of characteristic resin acids and phytosterols as well as their thermal alteration products, which are used as markers for specific wood types. Our results should be considered for wood combustion identification in positive matrix factorisation or chemical mass balance in northern Europe. Copyright © 2017 Elsevier B.V. All rights reserved.

Flame behavior and thermal structure of combusting plane jets with and without self-excited transverse oscillations

NASA Astrophysics Data System (ADS)

Huang, Rong Fung; Kivindu, Reuben Mwanza; Hsu, Ching Min

2018-06-01

The flame behavior and thermal structure of combusting plane jets with and without self-excited transverse oscillations were investigated experimentally. The transversely-oscillating plane jet was generated by a specially designed fluidic oscillator. Isothermal flow patterns were observed using the laser-assisted smoke flow visualization method. Meanwhile, the flame behaviour was studied using instantaneous and long-exposure photography techniques. Temperature distributions and combustion-product concentrations were measured using a fine-wire type R thermocouple and a gas analyzer, respectively. The results showed that the combusting transversely-oscillating plane jets had distributed turbulent blue flames with plaited-like edges, while the corresponding combusting non-oscillating plane jet had laminar blue-edged flames in the near field. At a high Reynolds number, the transversely-oscillating jet flames were significantly shorter and wider with shorter reaction-dominated zones than those of the non-oscillating plane jet flames. In addition, the transversely-oscillating combusting jets presented larger carbon dioxide and smaller unburned hydrocarbon concentrations, as well as portrayed characteristics of partially premixed flames. The non-oscillating combusting jets presented characteristics of diffusion flames, and the transversely-oscillating jet flame had a combustion performance superior to its non-oscillating plane jet flame counterpart. The high combustion performance of the transversely-oscillating jets was due to the enhanced entrainment, mixing, and lateral spreading of the jet flow, which were induced by the vortical flow structure generated by lateral periodic jet oscillations, as well as the high turbulence created by the breakup of the vortices.

Production of CO{sub 2}, CO and hydrocarbons from biomass fires

DOE Office of Scientific and Technical Information (OSTI.GOV)

Hao, W.M.; Ward, D.E.; Olbu, G.

1995-12-01

Emissions of CO{sub 2}, CO, CH{sub 4}, C{sub 2}-C{sub 6} alkanes and alkenes, and aromatic compounds from various biomass fires have been quantified. These gases play important roles in tropospheric chemistry, stratospheric chemistry, and global climate. The fires were used for deforestation and shifting cultivation in tropical forests and for growth of fresh grass in tropical savannas. Smoke samples were collected in stainless steel canisters and were analyzed by gas chromatographs with flame ionization detectors. We investigate and compare the differences in the combustion efficiency, the emission factor of each compound, and the relationship among emitted compounds between forest andmore » savanna fires. The contributions of biomass burning to the sources of these gases in the atmosphere are estimated. We will also assess the potential impact of biomass fires on changes in atmospheric chemistry and global climate.« less

Experimentally Determined Binding Energies of Astrophysically Relevant Hydrocarbons in Pure and H2O-Layered Ices

NASA Astrophysics Data System (ADS)

Behmard, Aida; Graninger, Dawn; Fayolle, Edith; Oberg, Karin I.

2017-01-01

Small hydrocarbons represent an important organic reservoir in a variety of interstellar environments. Constraints on desorption temperatures and binding energies of hydrocarbons are thus necessary for accurate predictions of where and in which phase these molecules exist. Through a series of temperature programmed desorption experiments, we determined binding energies of 1, 2, and 3-carbon interstellar hydrocarbons (CH4, C2H2, C2H4, C2H6, C3H4, C3H6, and C3H8) in pure ices and in relation to water ice, the dominant ice constituent during star and planet formation. These empirically determined values can be used to inform observations and models of the molecular spatial distribution in protoplanetary disks, thus providing insight into planetesimal composition. In addition, knowledge of hydrocarbon binding energies will refine simulations of grain surface chemistry, allowing for better predictions of the chemical conditions that lead to the production of complex organic molecules vital for life.

Risk factors of jet fuel combustion products.

PubMed

Tesseraux, Irene

2004-04-01

Air travel is increasing and airports are being newly built or enlarged. Concern is rising about the exposure to toxic combustion products in the population living in the vicinity of large airports. Jet fuels are well characterized regarding their physical and chemical properties. Health effects of fuel vapors and liquid fuel are described after occupational exposure and in animal studies. Rather less is known about combustion products of jet fuels and exposure to those. Aircraft emissions vary with the engine type, the engine load and the fuel. Among jet aircrafts there are differences between civil and military jet engines and their fuels. Combustion of jet fuel results in CO2, H2O, CO, C, NOx, particles and a great number of organic compounds. Among the emitted hydrocarbons (HCs), no compound (indicator) characteristic for jet engines could be detected so far. Jet engines do not seem to be a source of halogenated compounds or heavy metals. They contain, however, various toxicologically relevant compounds including carcinogenic substances. A comparison between organic compounds in the emissions of jet engines and diesel vehicle engines revealed no major differences in the composition. Risk factors of jet engine fuel exhaust can only be named in context of exposure data. Using available monitoring data, the possibilities and limitations for a risk assessment approach for the population living around large airports are presented. The analysis of such data shows that there is an impact on the air quality of the adjacent communities, but this impact does not result in levels higher than those in a typical urban environment.

Potential hazards associated with combustion of bio-derived versus petroleum-derived diesel fuel

PubMed Central

Bünger, Jürgen; Krahl, Jürgen; Schröder, Olaf; Schmidt, Lasse; Westphal, Götz A.

2012-01-01

Fuels from renewable resources have gained worldwide interest due to limited fossil oil sources and the possible reduction of atmospheric greenhouse gas. One of these fuels is so called biodiesel produced from vegetable oil by transesterification into fatty acid methyl esters (FAME). To get a first insight into changes of health hazards from diesel engine emissions (DEE) by use of biodiesel scientific studies were reviewed which compared the combustion of FAME with common diesel fuel (DF) for legally regulated and non-regulated emissions as well as for toxic effects. A total number of 62 publications on chemical analyses of DEE and 18 toxicological in vitro studies were identified meeting the criteria. In addition, a very small number of human studies and animal experiments were available. In most studies, combustion of biodiesel reduces legally regulated emissions of carbon monoxide, hydrocarbons, and particulate matter. Nitrogen oxides are regularly increased. Among the non-regulated emissions aldehydes are increased, while polycyclic aromatic hydrocarbons are lowered. Most biological in vitro assays show a stronger cytotoxicity of biodiesel exhaust and the animal experiments reveal stronger irritant effects. Both findings are possibly caused by the higher content of nitrogen oxides and aldehydes in biodiesel exhaust. The lower content of PAH is reflected by a weaker mutagenicity compared to DF exhaust. However, recent studies show a very low mutagenicity of DF exhaust as well, probably caused by elimination of sulfur in present DF qualities and the use of new technology diesel engines. Combustion of vegetable oil (VO) in common diesel engines causes a strongly enhanced mutagenicity of the exhaust despite nearly unchanged regulated emissions. The newly developed fuel “hydrotreated vegetable oil” (HVO) seems to be promising. HVO has physical and chemical advantages compared to FAME. Preliminary results show lower regulated and non-regulated emissions and a

Potential hazards associated with combustion of bio-derived versus petroleum-derived diesel fuel.

PubMed

Bünger, Jürgen; Krahl, Jürgen; Schröder, Olaf; Schmidt, Lasse; Westphal, Götz A

2012-10-01

Fuels from renewable resources have gained worldwide interest due to limited fossil oil sources and the possible reduction of atmospheric greenhouse gas. One of these fuels is so called biodiesel produced from vegetable oil by transesterification into fatty acid methyl esters (FAME). To get a first insight into changes of health hazards from diesel engine emissions (DEE) by use of biodiesel scientific studies were reviewed which compared the combustion of FAME with common diesel fuel (DF) for legally regulated and non-regulated emissions as well as for toxic effects. A total number of 62 publications on chemical analyses of DEE and 18 toxicological in vitro studies were identified meeting the criteria. In addition, a very small number of human studies and animal experiments were available. In most studies, combustion of biodiesel reduces legally regulated emissions of carbon monoxide, hydrocarbons, and particulate matter. Nitrogen oxides are regularly increased. Among the non-regulated emissions aldehydes are increased, while polycyclic aromatic hydrocarbons are lowered. Most biological in vitro assays show a stronger cytotoxicity of biodiesel exhaust and the animal experiments reveal stronger irritant effects. Both findings are possibly caused by the higher content of nitrogen oxides and aldehydes in biodiesel exhaust. The lower content of PAH is reflected by a weaker mutagenicity compared to DF exhaust. However, recent studies show a very low mutagenicity of DF exhaust as well, probably caused by elimination of sulfur in present DF qualities and the use of new technology diesel engines. Combustion of vegetable oil (VO) in common diesel engines causes a strongly enhanced mutagenicity of the exhaust despite nearly unchanged regulated emissions. The newly developed fuel "hydrotreated vegetable oil" (HVO) seems to be promising. HVO has physical and chemical advantages compared to FAME. Preliminary results show lower regulated and non-regulated emissions and a

Particle Generation and Evolution in Silane/Acetylene Flames in Microgravity

NASA Technical Reports Server (NTRS)

Keil, D. G.

2001-01-01

The objective of this new experimental program is to advance the understanding of the formation of particles from gas phase combustion processes. The work will utilize the unique SiH4/C2H2 combustion system which generates particulate products ranging from high purity, white SiC to carbonaceous soot depending on equivalence ratio. A key goal of this work is to identify gas phase or particle formation processes that provide the enthalpy release necessary to drive the combustion wave, and to locate the parts of the particle formation process that determine SiC stoichiometry and crystallinity. In a real sense, these SiH4/C2H2 flames act like "highly sooty" hydrocarbon flames, but with simpler chemistry. This simplification is expected to allow them to be used as surrogates to advance understanding of soot formation in such rich hydrocarbon flames. It is also expected that this improved understanding of SiC particle generation and evolution in these self-sustaining flames will advance the commercial potential of the flame process for the generation of high purity SiC powders.

Particle Generation And Evolution In Silane (SiH4)/Acetylene (C2H2) Flames In Microgravity

NASA Technical Reports Server (NTRS)

Keil, D. G.

2003-01-01

The objective of this experimental program is to advance the understanding of the coupling of particle formation with gas phase combustion processes. The work utilizes the unique SiH4/C2H2 combustion system which generates particulate products ranging from high purity, white SiC to carbonaceous soot depending on equivalence ratio (Ref. 1). A goal of this work is to identify gas phase or particle formation processes that provide the enthalpy release needed to drive the combustion wave, and to locate the steps of the particle formation process that determine SiC stoichiometry and crystallinity. In a real sense, these SiH4/C2H2 flames act like highly sooty hydrocarbon flames, but with simpler chemistry. This simplification is expected to allow them to be used as surrogates to advance understanding of soot formation in such rich hydrocarbon flames. It is also expected that this improved understanding of SiC particle generation and evolution in these self-sustaining flames will advance the commercial potential of the flame process for the generation of high purity SiC powders.

Regenerative combustion device

DOEpatents

West, Phillip B.

2004-03-16

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

Observational aspects of polycyclic aromatic hydrocarbon charging in the Interstellar Medium

NASA Technical Reports Server (NTRS)

Bakes, E. L. O.; Tielens, Alexander G. G. M.

1995-01-01

We have investigated the charging processes which affect small carbonaceous dust grains and polycyclic aromatic hydrocarbons (PAH's). Because of their high abundance, interstellar PAH molecules can dominate the charge balance of the interstellar medium (ISM), which controls the heating and cooling interstellar gas and interstellar chemistry. We present the results of our model, which compare well with observations and suggest further applications to both laboratory measurements and data obtainable from the KAO.

Engine and method for operating an engine

DOEpatents

Lauper, Jr., John Christian; Willi, Martin Leo [Dunlap, IL; Thirunavukarasu, Balamurugesh [Peoria, IL; Gong, Weidong [Dunlap, IL

2008-12-23

A method of operating an engine is provided. The method may include supplying a combustible combination of reactants to a combustion chamber of the engine, which may include supplying a first hydrocarbon fuel, hydrogen fuel, and a second hydrocarbon fuel to the combustion chamber. Supplying the second hydrocarbon fuel to the combustion chamber may include at least one of supplying at least a portion of the second hydrocarbon fuel from an outlet port that discharges into an intake system of the engine and supplying at least a portion of the second hydrocarbon fuel from an outlet port that discharges into the combustion chamber. Additionally, the method may include combusting the combustible combination of reactants in the combustion chamber.

Effects of fuel cetane number on the structure of diesel spray combustion: An accelerated Eulerian stochastic fields method

NASA Astrophysics Data System (ADS)

Jangi, Mehdi; Lucchini, Tommaso; Gong, Cheng; Bai, Xue-Song

2015-09-01

An Eulerian stochastic fields (ESF) method accelerated with the chemistry coordinate mapping (CCM) approach for modelling spray combustion is formulated, and applied to model diesel combustion in a constant volume vessel. In ESF-CCM, the thermodynamic states of the discretised stochastic fields are mapped into a low-dimensional phase space. Integration of the chemical stiff ODEs is performed in the phase space and the results are mapped back to the physical domain. After validating the ESF-CCM, the method is used to investigate the effects of fuel cetane number on the structure of diesel spray combustion. It is shown that, depending of the fuel cetane number, liftoff length is varied, which can lead to a change in combustion mode from classical diesel spray combustion to fuel-lean premixed burned combustion. Spray combustion with a shorter liftoff length exhibits the characteristics of the classical conceptual diesel combustion model proposed by Dec in 1997 (http://dx.doi.org/10.4271/970873), whereas in a case with a lower cetane number the liftoff length is much larger and the spray combustion probably occurs in a fuel-lean-premixed mode of combustion. Nevertheless, the transport budget at the liftoff location shows that stabilisation at all cetane numbers is governed primarily by the auto-ignition process.

The combustion program at CTR

NASA Technical Reports Server (NTRS)

Poinsot, Thierry J.

1993-01-01

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

Study and modeling of finite rate chemistry effects in turbulent non-premixed flames

NASA Technical Reports Server (NTRS)

Vervisch, Luc

1993-01-01

The development of numerical models that reflect some of the most important features of turbulent reacting flows requires information about the behavior of key quantities in well defined combustion regimes. In turbulent flames, the coupling between turbulent and chemical processes is so strong that it is extremely difficult to isolate the role played by one individual physical phenomenon. Direct numerical simulation (hereafter DNS) allows us to study in detail the turbulence-chemistry interaction in some restricted but completely defined situations. Globally, non-premixed flames are controlled by two limiting regimes: the fast chemistry case, where the turbulent flame can be pictured as a random distribution of local chemical equilibrium problems; and the slow chemistry case, where the chemistry integrates in time the turbulent fluctuations. The Damkoehler number, ratio of a mechanical time scale to chemical time scale, is used to distinguish between these regimes. Today most of the industrial computer codes are able to perform predictions in the hypothesis of local equilibrium chemistry using a presumed shape for the probability density function (pdt) of the conserved scalar. However, the finite rate chemistry situation is of great interest because industrial burners usually generate regimes in which, at some points, the flame is undergoing local extinction or at least non-equilibrium situations. Moreover, this variety of situations strongly influences the production of pollutants. To quantify finite rate chemistry effect, the interaction between a non-premixed flame and a free decaying turbulence is studied using DNS. The attention is focused on the dynamic of extinction, and an attempt is made to quantify the effect of the reaction on the small scale mixing process. The unequal diffusivity effect is also addressed. Finally, a simple turbulent combustion model based on the DNS observations and tractable in real flow configurations is proposed.

On the TFNS Subgrid Models for Liquid-Fueled Turbulent Combustion

NASA Technical Reports Server (NTRS)

Liu, Nan-Suey; Wey, Thomas

2014-01-01

This paper describes the time-filtered Navier-Stokes (TFNS) approach capable of capturing unsteady flow structures important for turbulent mixing in the combustion chamber and two different subgrid models used to emulate the major processes occurring in the turbulence-chemistry interaction. These two subgrid models are termed as LEM-like model and EUPDF-like model (Eulerian probability density function), respectively. Two-phase turbulent combustion in a single-element lean-direct-injection (LDI) combustor is calculated by employing the TFNS/LEM-like approach as well as the TFNS/EUPDF-like approach. Results obtained from the TFNS approach employing these two different subgrid models are compared with each other, along with the experimental data, followed by more detailed comparison between the results of an updated calculation using the TFNS/LEM-like model and the experimental data.

Modelling alkali metal emissions in large-eddy simulation of a preheated pulverised-coal turbulent jet flame using tabulated chemistry

NASA Astrophysics Data System (ADS)

Wan, Kaidi; Xia, Jun; Vervisch, Luc; Liu, Yingzu; Wang, Zhihua; Cen, Kefa

2018-03-01

The numerical modelling of alkali metal reacting dynamics in turbulent pulverised-coal combustion is discussed using tabulated sodium chemistry in large eddy simulation (LES). A lookup table is constructed from a detailed sodium chemistry mechanism including five sodium species, i.e. Na, NaO, NaO2, NaOH and Na2O2H2, and 24 elementary reactions. This sodium chemistry table contains four coordinates, i.e. the equivalence ratio, the mass fraction of the sodium element, the gas-phase temperature, and a progress variable. The table is first validated against the detailed sodium chemistry mechanism by zero-dimensional simulations. Then, LES of a turbulent pulverised-coal jet flame is performed and major coal-flame parameters compared against experiments. The chemical percolation devolatilisation (CPD) model and the partially stirred reactor (PaSR) model are employed to predict coal pyrolysis and gas-phase combustion, respectively. The response of the five sodium species in the pulverised-coal jet flame is subsequently examined. Finally, a systematic global sensitivity analysis of the sodium lookup table is performed and the accuracy of the proposed tabulated sodium chemistry approach has been calibrated.

Environmental investigation on co-combustion of sewage sludge and coal gangue: SO2, NOx and trace elements emissions.

PubMed

Yang, Zhenzhou; Zhang, Yingyi; Liu, Lili; Wang, Xidong; Zhang, Zuotai

2016-04-01

To promote the utilization of waste material as alternative fuel, the mono- and co-combustion characteristics of sewage sludge (SS) and coal gangue (CG) were systematically investigated, with emphasis on environmental influences. The emission of SO2, NOx as well as the trace elements during combustion of SS and CG were studied with regard to the effects of their chemistries, structures and interactions. Results showed that co-combustion can be beneficial for ignition performance. A synergic effect on both desulfurization and denitrification can be expected at ca. 800°C. Further, an enhanced retention of trace elements during co-combustion was also observed, especially for Pb and Zn. On the basis of the results, it can be expected that, with proper operation, co-combustion of SS and CG can be a promising method for the disposal of these two wastes. Copyright © 2015 Elsevier Ltd. All rights reserved.

Measurements of PAN, PPN, and MPAN made during the 1994 and 1995 Nashville Intensives of the Southern Oxidant Study: Implications for regional ozone production from biogenic hydrocarbons

NASA Astrophysics Data System (ADS)

Roberts, James M.; Williams, Jonathan; Baumann, Karsten; Buhr, Martin P.; Goldan, Paul D.; Holloway, John; Hübler, Gerhard; Kuster, William C.; McKeen, Stuart A.; Ryerson, Thomas B.; Trainer, Michael; Williams, Eric J.; Fehsenfeld, Fredrick C.; Bertman, Steven B.; Nouaime, George; Seaver, Craig; Grodzinsky, Gil; Rodgers, Michael; Young, Valerie L.

1998-09-01

Isoprene and a variety of other reactive hydrocarbons are released in large quantities by vegetation in forested regions and are thought to participate in the NOx-catalyzed production of ozone, a serious air quality problem in North America and Europe [National Research Council, 1991]. The determination of the fraction of O3 formed from anthropogenic NOx and biogenic hydrocarbons (BHC) is a crucial step in the formulation of effective control strategies. Peroxymethacrylic nitric anhydride (MPAN, CH2C(CH3)C(O)OONO2) is formed almost entirely from the atmospheric oxidation of isoprene in the presence of NOx and is an excellent indicator of recent ozone production from isoprene and therefore biogenic hydrocarbons. Measurements are presented here of MPAN, peroxyacetic nitric anhydride (PAN, CH3C(O)OONO2), peroxypropionic nitric anhydride (PPN, CH3CH2C(O)OONO2) and ozone from separate data sets acquired during the 1994 and 1995 Nashville intensive studies of the Southern Oxidant Study. It was found that PAN, a general product of HC-NOx photochemistry, could be well represented as a simple linear combination of contributions from BHC and anthropogenic hydrocarbon (AHC) chemistries as indicated by MPAN and PPN, respectively. The PAN:MPAN ratios found to be characteristic of BHC-dominated chemistry ranged from 6 to 10. The PAN:PPN ratios found to be characteristic of AHC-dominated chemistry ranged from 5.8 to 7.4. These BHC and AHC attributions were used to estimate the contributions of anthropogenic and biogenic hydrocarbons to regional tropospheric ozone production, and substantial BHC-O3 (50-60 ppbv) was estimated in cases where high NOx from power plants was present in areas of high BHC emission. This estimation method provides direct evidence of significant photochemical ozone production from the oxidation of biogenic hydrocarbons in the presence of NOx.

ZMOTTO- MODELING THE INTERNAL COMBUSTION ENGINE

NASA Technical Reports Server (NTRS)

Zeleznik, F. J.

1994-01-01

The ZMOTTO program was developed to model mathematically a spark-ignited internal combustion engine. ZMOTTO is a large, general purpose program whose calculations can be established at five levels of sophistication. These five models range from an ideal cycle requiring only thermodynamic properties, to a very complex representation demanding full combustion kinetics, transport properties, and poppet valve flow characteristics. ZMOTTO is a flexible and computationally economical program based on a system of ordinary differential equations for cylinder-averaged properties. The calculations assume that heat transfer is expressed in terms of a heat transfer coefficient and that the cylinder average of kinetic plus potential energies remains constant. During combustion, the pressures of burned and unburned gases are assumed equal and their heat transfer areas are assumed proportional to their respective mass fractions. Even the simplest ZMOTTO model provides for residual gas effects, spark advance, exhaust gas recirculation, supercharging, and throttling. In the more complex models, 1) finite rate chemistry replaces equilibrium chemistry in descriptions of both the flame and the burned gases, 2) poppet valve formulas represent fluid flow instead of a zero pressure drop flow, and 3) flame propagation is modeled by mass burning equations instead of as an instantaneous process. Input to ZMOTTO is determined by the model chosen. Thermodynamic data is required for all models. Transport properties and chemical kinetics data are required only as the model complexity grows. Other input includes engine geometry, working fluid composition, operating characteristics, and intake/exhaust data. ZMOTTO accommodates a broad spectrum of reactants. The program will calculate many Otto cycle performance parameters for a number of consecutive cycles (a cycle being an interval of 720 crankangle degrees). A typical case will have a number of initial ideal cycles and progress through levels

Method And Apparatus For Converting Hydrocarbon Fuel Into Hydrogen Gas And Carbon Dioxide

DOEpatents

Clawson, Lawrence G.; Mitchell, William L.; Bentley, Jeffrey M.; Thijssen, Johannes H. J.

2001-03-27

A hydrocarbon fuel reforming method is disclosed suitable for producing synthesis hydrogen gas from reactions with hydrocarbons fuels, oxygen, and steam. A first mixture of an oxygen-containing gas and a first fuel is directed into a first tube 108 to produce a first reaction reformate. A second mixture of steam and a second fuel is directed into a second tube 116 annularly disposed about the first tube 108 to produce a second reaction reformate. The first and second reaction reformates are then directed into a reforming zone 144 and subject to a catalytic reforming reaction. In another aspect of the method, a first fuel is combusted with an oxygen-containing gas in a first zone 108 to produce a reformate stream, while a second fuel under steam reforming in a second zone 116. Heat energy from the first zone 108 is transferred to the second zone 116.

Combustion research for gas turbine engines

NASA Technical Reports Server (NTRS)

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

1985-01-01

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

FUEL-FLEXIBLE GASIFICATION-COMBUSTION TECHNOLOGY FOR PRODUCTION OF H2 AND SEQUESTRATION-READY CO2

DOE Office of Scientific and Technical Information (OSTI.GOV)

George Rizeq; Janice West; Arnaldo Frydman

Further development of a combustion Large Eddy Simulation (LES) code for the design of advanced gaseous combustion systems is described in this sixth quarterly report. CFD Research Corporation (CFDRC) is developing the LES module within the parallel, unstructured solver included in the commercial CFD-ACE+ software. In this quarter, in-situ adaptive tabulation (ISAT) for efficient chemical rate storage and retrieval was implemented and tested within the Linear Eddy Model (LEM). ISAT type 3 is being tested so that extrapolation can be performed and further improve the retrieval rate. Further testing of the LEM for subgrid chemistry was performed for parallel applicationsmore » and for multi-step chemistry. Validation of the software on backstep and bluff-body reacting cases were performed. Initial calculations of the SimVal experiment at Georgia Tech using their LES code were performed. Georgia Tech continues the effort to parameterize the LEM over composition space so that a neural net can be used efficiently in the combustion LES code. A new and improved Artificial Neural Network (ANN), with log-transformed output, for the 1-step chemistry was implemented in CFDRC's LES code and gave reasonable results. This quarter, the 2nd consortium meeting was held at CFDRC. Next quarter, LES software development and testing will continue. Alpha testing of the code will continue to be performed on cases of interest to the industrial consortium. Optimization of subgrid models will be pursued, particularly with the ISAT approach. Also next quarter, the demonstration of the neural net approach, for multi-step chemical kinetics speed-up in CFD-ACE+, will be accomplished.« less

CFD modelling wall heat transfer inside a combustion chamber using ANSYS forte

NASA Astrophysics Data System (ADS)

Plengsa-ard, C.; Kaewbumrung, M.

2018-01-01

A computational model has been performed to analyze a wall heat transfer in a single cylinder, direct injection and four-stroke diesel engine. A direct integration using detailed chemistry CHEMKIN is employed in a combustion model and the Reynolds Averaged Navier Stokes (RANS) turbulence model is used to simulate the flow in the cylinder. To obtain heat flux results, a modified classical variable-density wall heat transfer model is also performed. The model is validated using experimental data from a CUMMINs engine operated with a conventional diesel combustion. One operating engine condition is simulated. Comparisons of simulated in-cylinder pressure and heat release rates with experimental data shows that the model predicts the cylinder pressure and heat release rates reasonably well. The contour plot of instantaneous temperature are presented. Also, the contours of predicted heat flux results are shown. The magnitude of peak heat fluxes as predicted by the wall heat transfer model is in the range of the typical measure values in diesel combustion.

An extinction/reignition dynamic method for turbulent combustion

NASA Astrophysics Data System (ADS)

Knaus, Robert; Pantano, Carlos

2011-11-01

Quasi-randomly distributed locations of high strain in turbulent combustion can cause a nonpremixed or partially premixed flame to develop local regions of extinction called ``flame holes''. The presence and extent of these holes can increase certain pollutants and reduce the amount of fuel burned. Accurately modeling the dynamics of these interacting regions can improve the accuracy of combustion simulations by effectively incorporating finite-rate chemistry effects. In the proposed method, the flame hole state is characterized by a progress variable that nominally exists on the stoichiometric surface. The evolution of this field is governed by a partial-differential equation embedded in the time-dependent two-manifold of the flame surface. This equation includes advection, propagation, and flame hole formation (flame hole healing or collapse is accounted by propagation naturally). We present a computational algorithm that solves this equation by embedding it in the usual three-dimensional space. A piece-wise parabolic WENO scheme combined with a compression algorithm are used to evolve the flame hole progress variable. A key aspect of the method is the extension of the surface data to the three-dimensional space in an efficient manner. We present results of this method applied to canonical turbulent combusting flows where the flame holes interact and describe their statistics.